SciTegic07110717352D 22 24 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 2.8402 -8.9181 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 22 2 0 19 20 2 0 19 21 1 0 M CHG 1 17 1 M END > ZINC04631167 > 1 $$$$ SciTegic07110717352D 23 25 0 0 0 0 999 V2000 -1.2940 4.5516 0.0000 C 0 0 -0.2920 3.4353 0.0000 C 0 0 1.1757 3.7449 0.0000 C 0 0 1.6414 5.1708 0.0000 C 0 0 0.6394 6.2871 0.0000 C 0 0 -0.8283 5.9774 0.0000 C 0 0 1.1024 7.7147 0.0000 C 0 3 0.0983 8.8301 0.0000 N 0 0 1.7358 2.3526 0.0000 C 0 0 0.8121 1.1725 0.0000 N 0 0 -0.6802 1.2306 0.0000 C 0 0 -1.6347 2.3929 0.0000 C 0 0 -3.1301 2.1223 0.0000 C 0 0 -3.6414 0.7175 0.0000 C 0 0 -2.6698 -0.4511 0.0000 C 0 0 -1.1915 -0.1742 0.0000 C 0 0 -0.0111 -1.0889 0.0000 C 0 0 1.2291 -0.2404 0.0000 C 0 0 2.6418 -0.7399 0.0000 C 0 0 3.5535 0.0403 0.0000 O 0 0 2.9171 -2.2152 0.0000 N 0 0 -3.1777 -1.8630 0.0000 O 0 0 2.5697 8.0301 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 23 2 0 9 10 1 0 10 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 22 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 M CHG 1 7 1 M END > ZINC04631097 > 1 $$$$ SciTegic07110717352D 23 25 0 0 0 0 999 V2000 -0.9940 3.0137 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 23 2 0 20 21 2 0 20 22 1 0 M CHG 1 18 1 M END > ZINC04631071 > 1 $$$$ SciTegic07110717352D 24 26 0 0 0 0 999 V2000 7.0552 2.6770 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 4.8208 1.3475 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.5985 -0.8211 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0853 -3.7744 0.0000 C 0 0 0.6009 -3.9901 0.0000 C 0 0 0.0456 -5.3835 0.0000 C 0 0 0.9746 -6.5612 0.0000 C 0 0 2.4591 -6.3454 0.0000 C 0 0 3.0144 -4.9520 0.0000 C 0 0 0.4219 -7.9565 0.0000 C 0 3 1.3531 -9.1335 0.0000 N 0 0 -1.0625 -8.1780 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 14 1 0 6 7 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 22 24 2 0 M CHG 1 22 1 M END > ZINC04631020 > 1 $$$$ SciTegic07110717352D 24 26 0 0 0 0 999 V2000 7.0552 2.6770 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 4.8208 1.3475 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.5985 -0.8211 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0853 -3.7744 0.0000 C 0 0 0.6009 -3.9901 0.0000 C 0 0 0.0456 -5.3835 0.0000 C 0 0 0.9746 -6.5612 0.0000 C 0 0 2.4591 -6.3454 0.0000 C 0 0 3.0144 -4.9520 0.0000 C 0 0 3.3910 -7.5218 0.0000 C 0 3 4.8760 -7.3038 0.0000 N 0 0 2.8407 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 14 1 0 6 7 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 M CHG 1 22 1 M END > ZINC04631021 > 1 $$$$ SciTegic07110717352D 24 26 0 0 0 0 999 V2000 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 O 0 0 6.3513 -1.2462 0.0000 C 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 10 2 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 15 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 M CHG 1 22 1 M END > ZINC04631063 > 1 $$$$ SciTegic07110717352D 24 26 0 0 0 0 999 V2000 6.3274 1.3517 0.0000 C 0 0 4.8266 1.3381 0.0000 S 0 0 4.0872 0.0320 0.0000 C 0 0 4.6963 -1.0019 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 7 22 2 0 7 8 1 0 8 9 1 0 8 19 2 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 M CHG 1 17 1 M END > ZINC04631056 > 1 $$$$ SciTegic07110717352D 24 26 0 0 0 0 999 V2000 6.3215 1.3677 0.0000 C 0 0 4.8208 1.3475 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.5985 -0.8211 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0853 -3.7744 0.0000 C 0 0 0.6009 -3.9901 0.0000 C 0 0 0.0456 -5.3835 0.0000 C 0 0 0.9746 -6.5612 0.0000 C 0 0 2.4591 -6.3454 0.0000 C 0 0 3.0144 -4.9520 0.0000 C 0 0 3.3910 -7.5218 0.0000 C 0 3 4.8760 -7.3038 0.0000 N 0 0 -3.3560 1.3452 0.0000 F 0 0 2.8407 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 13 1 0 5 6 2 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 23 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 24 2 0 M CHG 1 21 1 M END > ZINC04631039 > 1 $$$$ SciTegic07110717352D 25 27 0 0 0 0 999 V2000 7.0552 2.6770 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 4.8208 1.3475 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.5985 -0.8211 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0853 -3.7744 0.0000 C 0 0 0.6009 -3.9901 0.0000 C 0 0 0.0456 -5.3835 0.0000 C 0 0 0.9746 -6.5612 0.0000 C 0 0 2.4591 -6.3454 0.0000 C 0 0 3.0144 -4.9520 0.0000 C 0 0 3.3910 -7.5218 0.0000 C 0 3 4.8760 -7.3038 0.0000 N 0 0 -0.9940 3.0137 0.0000 C 0 0 2.8407 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 14 1 0 6 7 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 24 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 25 2 0 M CHG 1 22 1 M END > ZINC04631019 > 1 $$$$ SciTegic07110717352D 27 29 0 0 0 0 999 V2000 4.1182 4.3614 0.0000 C 0 0 3.6500 2.9355 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 O 0 0 6.3513 -1.2462 0.0000 C 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 13 2 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 M CHG 1 25 1 M END > ZINC04631035 > 1 $$$$ SciTegic07110717352D 27 29 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 0.2688 5.8520 0.0000 O 0 0 2.6078 5.9988 0.0000 N 0 0 2.6109 7.4996 0.0000 C 0 0 1.3118 8.2497 0.0000 C 0 0 1.3118 9.7497 0.0000 C 0 0 2.6109 10.4997 0.0000 C 0 0 3.9099 9.7497 0.0000 C 0 0 3.9099 8.2497 0.0000 C 0 0 2.6140 12.0005 0.0000 C 0 0 1.5758 12.6024 0.0000 O 0 0 3.9148 12.7491 0.0000 N 0 0 5.2641 12.1233 0.0000 C 0 0 6.2717 13.2345 0.0000 C 0 0 5.5262 14.5362 0.0000 C 0 0 4.0579 14.2294 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1 2 1 0 1 26 1 0 1 27 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 1 0 21 25 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 1 1 M END > ZINC03815607 > 2 $$$$ SciTegic07110717352D 27 28 0 0 0 0 999 V2000 3.8950 0.7340 0.0000 C 0 3 2.5967 1.4871 0.0000 C 0 0 2.6029 2.9870 0.0000 C 0 0 1.3070 3.7424 0.0000 C 0 0 0.0049 2.9977 0.0000 C 0 0 -0.0013 1.4977 0.0000 C 0 0 1.2946 0.7424 0.0000 C 0 0 -1.2934 3.7508 0.0000 C 0 0 -1.2905 4.9508 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 O 0 0 -5.1873 7.5117 0.0000 C 0 0 -3.8856 8.2573 0.0000 C 0 0 -3.8805 9.7573 0.0000 C 0 0 -5.1769 10.5118 0.0000 C 0 0 -6.4785 9.7663 0.0000 C 0 0 -6.4837 8.2663 0.0000 C 0 0 -7.7772 10.5185 0.0000 C 0 3 -9.0785 9.7707 0.0000 N 0 0 -3.8982 2.2270 0.0000 C 0 0 -4.9389 1.6297 0.0000 O 0 0 3.8928 -0.7668 0.0000 N 0 0 5.1976 1.4795 0.0000 N 0 0 -7.7777 12.0193 0.0000 N 0 0 -3.0336 1.7246 0.0000 O 0 5 1 2 1 0 1 24 1 0 1 25 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 8 10 1 0 11 10 1 6 11 12 1 0 11 22 1 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 26 2 0 22 23 2 0 22 27 1 0 M CHG 3 1 1 20 1 27 -1 M END > ZINC03815591 > 3 $$$$ SciTegic07110717352D 28 31 0 0 0 0 999 V2000 11.7938 -7.5843 0.0000 C 0 0 13.2140 -7.1017 0.0000 C 0 0 13.1938 -5.6018 0.0000 C 0 0 11.7612 -5.1575 0.0000 S 0 0 10.9177 -6.3825 0.0000 C 0 0 9.4170 -6.3996 0.0000 C 0 0 8.6510 -5.1089 0.0000 C 0 0 7.1503 -5.1260 0.0000 S 0 0 1 0 0 0 6.5625 -6.1722 0.0000 O 0 0 7.7381 -4.0798 0.0000 O 0 0 6.3843 -3.8354 0.0000 N 0 0 4.8844 -3.8534 0.0000 C 0 0 4.1189 -2.5635 0.0000 C 0 0 4.8532 -1.2555 0.0000 N 0 0 6.3531 -1.2375 0.0000 C 0 0 6.9405 -0.1911 0.0000 O 0 0 7.1186 -2.5274 0.0000 C 0 0 4.0872 0.0351 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 14.1551 -4.8835 0.0000 Cl 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 28 1 0 4 5 1 0 5 6 1 0 6 7 2 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 17 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 18 1 0 15 16 2 0 15 17 1 0 18 19 1 0 19 27 1 0 19 20 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 M END > ZINC01490749 > 4 $$$$ SciTegic07110717352D 29 31 0 0 0 0 999 V2000 5.1943 -3.0089 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2 0 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9014 3.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 O 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -3.8948 -0.4516 0.0000 O 0 0 3.8912 -5.2578 0.0000 N 0 0 5.1894 -6.0109 0.0000 C 0 0 6.2297 -5.4127 0.0000 O 0 0 5.1873 -7.5117 0.0000 N 0 0 6.4855 -8.2648 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 6.4855 -9.7648 0.0000 C 0 0 10.1228 -10.3649 0.0000 Cl 0 0 2 1 1 1 2 3 1 0 2 19 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 M END > ZINC03815610 > 5 $$$$ SciTegic07110717352D 31 33 0 0 0 0 999 V2000 7.7959 -3.0206 0.0000 C 0 0 6.4933 -3.7660 0.0000 C 0 0 5.1959 -3.0115 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9014 3.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 O 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -3.8948 -0.4516 0.0000 O 0 0 3.8912 -5.2578 0.0000 N 0 0 5.1894 -6.0109 0.0000 C 0 0 6.2297 -5.4127 0.0000 O 0 0 5.1873 -7.5117 0.0000 N 0 0 6.4855 -8.2648 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 6.4855 -9.7648 0.0000 C 0 0 10.1228 -10.3649 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 21 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 31 1 0 29 30 1 0 M END > ZINC03815611 > 5 $$$$ SciTegic07110717352D 29 31 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -1.2947 3.7547 0.0000 C 0 0 -1.2938 5.2548 0.0000 C 0 0 -2.5923 6.0056 0.0000 C 0 0 -3.8919 5.2565 0.0000 C 0 0 -3.8928 3.7565 0.0000 C 0 0 -2.5943 3.0056 0.0000 N 0 0 -5.1915 3.0042 0.0000 O 0 0 -5.1904 1.5034 0.0000 C 0 0 -3.8892 0.7569 0.0000 C 0 0 -3.8850 -0.7431 0.0000 C 0 0 -5.1820 -1.4967 0.0000 C 0 0 -6.4831 -0.7503 0.0000 C 0 0 -6.4873 0.7497 0.0000 C 0 0 -7.7823 -1.5017 0.0000 C 0 3 -9.0831 -0.7531 0.0000 N 0 0 -4.9307 5.8571 0.0000 F 0 0 -2.5913 7.5064 0.0000 C 0 0 -0.2542 5.8541 0.0000 F 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 -7.7838 -3.0026 0.0000 N 0 0 1 2 1 0 1 27 1 0 1 28 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 10 26 1 0 11 12 1 0 11 25 1 0 12 13 2 0 12 24 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 29 2 0 M CHG 2 1 1 22 1 M END > ZINC03815598 > 6 $$$$ SciTegic07110717352D 32 34 0 0 0 0 999 V2000 5.2006 2.9783 0.0000 C 0 3 3.9034 3.7330 0.0000 C 0 0 3.9114 5.2330 0.0000 C 0 0 2.6164 5.9899 0.0000 C 0 0 1.3134 5.2469 0.0000 C 0 0 1.3053 3.7469 0.0000 C 0 0 2.6003 2.9900 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -0.0029 1.5000 0.0000 C 0 0 1.2916 0.7422 0.0000 C 0 0 1.2827 -0.7578 0.0000 C 0 0 -0.0208 -1.5000 0.0000 C 0 0 -1.3154 -0.7423 0.0000 C 0 0 -1.3064 0.7577 0.0000 N 0 0 -2.6211 -1.4822 0.0000 O 0 0 -3.9153 -0.7222 0.0000 C 0 0 -3.9012 0.7778 0.0000 C 0 0 -5.1931 1.5400 0.0000 C 0 0 -6.4991 0.8023 0.0000 C 0 0 -6.5133 -0.6976 0.0000 C 0 0 -5.2214 -1.4598 0.0000 C 0 0 -7.8186 -1.4384 0.0000 C 0 0 -8.8531 -0.8304 0.0000 O 0 0 -7.8306 -2.9392 0.0000 N 0 0 -9.1358 -3.6800 0.0000 C 0 0 -6.5351 -3.6969 0.0000 C 0 0 -0.0280 -2.7000 0.0000 F 0 0 2.5779 -1.5160 0.0000 C 0 0 2.3345 1.3359 0.0000 F 0 0 0.0161 6.0016 0.0000 N 0 0 5.1966 1.4774 0.0000 N 0 0 6.5042 3.7221 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 30 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 10 29 1 0 11 12 1 0 11 28 1 0 12 13 2 0 12 27 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 M CHG 1 1 1 M END > ZINC03815599 > 6 $$$$ SciTegic07110717352D 29 32 0 0 0 0 999 V2000 8.5218 5.2941 0.0000 C 0 0 9.2884 4.0048 0.0000 C 0 0 8.5551 2.6963 0.0000 C 0 0 7.0552 2.6770 0.0000 C 0 0 6.2886 3.9663 0.0000 C 0 0 7.0219 5.2749 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 7.0877 0.0772 0.0000 N 0 0 6.3541 -1.2320 0.0000 C 0 0 5.3542 -1.2446 0.0000 O 0 0 7.1192 -2.5204 0.0000 C 0 0 8.5868 -2.6481 0.0000 C 0 0 8.9405 -4.0990 0.0000 C 0 0 10.2694 -4.8033 0.0000 C 0 0 10.3016 -6.3226 0.0000 C 0 0 9.0264 -7.1031 0.0000 C 0 0 7.6880 -6.3833 0.0000 C 0 0 7.6653 -4.8794 0.0000 C 0 0 6.5342 -3.9045 0.0000 N 0 0 5.0464 -3.7281 0.0000 C 0 0 4.1473 -4.9298 0.0000 C 0 0 4.7383 -6.3085 0.0000 C 0 0 3.8397 -7.5096 0.0000 C 0 0 2.3503 -7.3320 0.0000 C 0 0 1.7594 -5.9533 0.0000 C 0 0 2.6579 -4.7522 0.0000 C 0 0 0.2694 -5.7726 0.0000 C 0 3 -0.3198 -4.3923 0.0000 N 0 0 -0.6341 -6.9709 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 2 0 M CHG 1 27 1 M END > ZINC04631143 > 7 $$$$ SciTegic07110717352D 30 33 0 0 0 0 999 V2000 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 28 2 0 13 14 1 0 14 15 1 0 14 25 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 M CHG 1 23 1 M END > ZINC04631140 > 7 $$$$ SciTegic07110717352D 30 33 0 0 0 0 999 V2000 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 N 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 28 2 0 13 14 1 0 14 15 1 0 14 25 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 M CHG 1 23 1 M END > ZINC04631205 > 7 $$$$ SciTegic07110717352D 30 33 0 0 0 0 999 V2000 6.6251 9.8410 0.0000 C 0 0 6.6049 8.3412 0.0000 C 0 0 5.2958 7.6088 0.0000 C 0 0 4.0070 8.3762 0.0000 C 0 0 4.0273 9.8761 0.0000 C 0 0 5.3363 10.6085 0.0000 C 0 0 2.7393 10.6466 0.0000 C 0 3 2.7617 12.1473 0.0000 N 0 0 5.7901 6.1917 0.0000 C 0 0 4.8120 5.0562 0.0000 N 0 0 3.3242 5.1842 0.0000 C 0 0 2.4252 6.3899 0.0000 C 0 0 0.9187 6.1897 0.0000 C 0 0 0.3421 4.8103 0.0000 C 0 0 1.2579 3.5976 0.0000 C 0 0 2.7476 3.8048 0.0000 C 0 0 3.8839 2.8358 0.0000 C 0 0 5.1624 3.6253 0.0000 C 0 0 6.5501 3.0602 0.0000 C 0 0 6.7133 1.8713 0.0000 O 0 0 7.7360 3.9800 0.0000 N 0 0 9.1259 3.4138 0.0000 C 0 0 10.3118 4.3336 0.0000 C 0 0 2 0 0 0 10.9695 3.0083 0.0000 C 0 0 12.4684 2.9504 0.0000 C 0 0 13.2680 4.2195 0.0000 C 0 0 12.5686 5.5465 0.0000 C 0 0 11.0697 5.6044 0.0000 C 0 0 0.6844 2.2110 0.0000 O 0 0 1.4268 9.9188 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 30 2 0 9 10 1 0 10 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 29 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 23 22 1 1 23 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M CHG 1 7 1 M END > ZINC04631098 > 7 $$$$ SciTegic07110717352D 30 33 0 0 0 0 999 V2000 7.9066 -6.3713 0.0000 C 0 0 9.3925 -3.7879 0.0000 C 0 0 8.6245 -2.4994 0.0000 C 0 0 7.1246 -2.5203 0.0000 C 0 0 6.3928 -3.8296 0.0000 C 0 0 7.1607 -5.1181 0.0000 C 0 0 6.3563 -1.2311 0.0000 C 0 0 4.8556 -1.2510 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 4.5754 0.9110 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0853 -3.7744 0.0000 C 0 0 0.6009 -3.9901 0.0000 C 0 0 0.0456 -5.3835 0.0000 C 0 0 0.9746 -6.5612 0.0000 C 0 0 2.4591 -6.3454 0.0000 C 0 0 3.0144 -4.9520 0.0000 C 0 0 3.3910 -7.5218 0.0000 C 0 3 4.8760 -7.3038 0.0000 N 0 0 8.6606 -5.0973 0.0000 N 0 3 2.8407 -8.9181 0.0000 N 0 0 1 29 1 0 2 3 1 0 2 29 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 6 29 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 30 2 0 M CHG 2 27 1 29 1 M END > ZINC03831899 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 4.3104 2.5562 0.0000 C 0 0 5.6791 1.9407 0.0000 C 0 0 1 0 0 0 6.8963 2.8187 0.0000 C 0 0 8.2646 2.2040 0.0000 C 0 0 9.4811 3.0815 0.0000 C 0 0 7.9611 5.1886 0.0000 C 0 0 6.7446 4.3110 0.0000 C 0 0 9.1434 6.0425 0.0000 C 0 0 5.8300 0.4475 0.0000 N 0 0 4.6128 -0.4306 0.0000 C 0 0 3.7008 -0.0204 0.0000 O 0 0 4.7636 -1.9213 0.0000 C 0 0 6.0406 -2.6558 0.0000 C 0 0 5.7498 -4.1205 0.0000 C 0 0 6.6580 -5.3194 0.0000 C 0 0 6.0468 -6.7107 0.0000 C 0 0 4.5615 -6.8810 0.0000 C 0 0 3.6512 -5.6641 0.0000 C 0 0 4.2645 -4.2908 0.0000 C 0 0 3.6497 -2.9299 0.0000 N 0 0 2.3749 -2.1428 0.0000 C 0 0 1.0531 -2.8537 0.0000 C 0 0 -0.2228 -2.0648 0.0000 C 0 0 -1.5438 -2.7753 0.0000 C 0 0 -1.5891 -4.2746 0.0000 C 0 0 -0.3133 -5.0634 0.0000 C 0 0 1.0078 -4.3530 0.0000 C 0 0 -0.3555 -6.5637 0.0000 C 0 3 0.9221 -7.3512 0.0000 N 0 0 9.3293 4.5738 0.0000 N 0 3 -1.6746 -7.2795 0.0000 N 0 0 2 1 1 1 2 3 1 0 2 9 1 0 3 7 1 0 3 4 2 0 4 5 1 0 5 30 1 0 6 7 2 0 6 30 1 0 8 30 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 20 1 0 12 13 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 28 31 2 0 M CHG 2 28 1 30 1 M END > ZINC03815848 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 7.9066 -6.3713 0.0000 C 0 0 9.3925 -3.7879 0.0000 C 0 0 8.6245 -2.4994 0.0000 C 0 0 7.1246 -2.5203 0.0000 C 0 0 6.3928 -3.8296 0.0000 C 0 0 7.1607 -5.1181 0.0000 C 0 0 6.3563 -1.2311 0.0000 C 0 0 4.8556 -1.2510 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 4.5754 0.9110 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0853 -3.7744 0.0000 C 0 0 0.6009 -3.9901 0.0000 C 0 0 0.0456 -5.3835 0.0000 C 0 0 0.9746 -6.5612 0.0000 C 0 0 2.4591 -6.3454 0.0000 C 0 0 3.0144 -4.9520 0.0000 C 0 0 3.3910 -7.5218 0.0000 C 0 3 4.8760 -7.3038 0.0000 N 0 0 -3.3560 1.3452 0.0000 F 0 0 8.6606 -5.0973 0.0000 N 0 3 2.8407 -8.9181 0.0000 N 0 0 1 30 1 0 2 3 1 0 2 30 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 6 30 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 29 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 31 2 0 M CHG 2 27 1 30 1 M END > ZINC03815850 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 10.8782 -3.8001 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 29 2 0 14 15 1 0 15 16 1 0 15 26 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 M CHG 1 24 1 M END > ZINC04631069 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 -0.9940 3.0137 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 9.4010 -6.4153 0.0000 O 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 31 2 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M CHG 1 18 1 M END > ZINC04631077 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 5.1776 -3.8568 0.0000 Cl 0 0 -2.0192 6.9767 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 30 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 28 2 0 13 14 1 0 14 15 1 0 14 25 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 31 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 M CHG 1 23 1 M END > ZINC04631137 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 10.5774 -3.8031 0.0000 Cl 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 29 2 0 14 15 1 0 15 16 1 0 15 26 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 M CHG 1 24 1 M END > ZINC04631128 > 7 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 10.5774 -3.8031 0.0000 F 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 29 2 0 14 15 1 0 15 16 1 0 15 26 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 M CHG 1 24 1 M END > ZINC04631129 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -1.2940 4.5516 0.0000 C 0 0 -0.2920 3.4353 0.0000 C 0 0 1.1757 3.7449 0.0000 C 0 0 1.6414 5.1708 0.0000 C 0 0 0.6394 6.2871 0.0000 C 0 0 -0.8283 5.9774 0.0000 C 0 0 1.1024 7.7147 0.0000 C 0 3 0.0983 8.8301 0.0000 N 0 0 1.7358 2.3526 0.0000 C 0 0 0.8121 1.1725 0.0000 N 0 0 -0.6802 1.2306 0.0000 C 0 0 -1.6347 2.3929 0.0000 C 0 0 -3.1301 2.1223 0.0000 C 0 0 -3.6414 0.7175 0.0000 C 0 0 -2.6698 -0.4511 0.0000 C 0 0 -1.1915 -0.1742 0.0000 C 0 0 -0.0111 -1.0889 0.0000 C 0 0 1.2291 -0.2404 0.0000 C 0 0 2.6418 -0.7399 0.0000 C 0 0 3.5535 0.0403 0.0000 O 0 0 2.9171 -2.2152 0.0000 N 0 0 4.3321 -2.7154 0.0000 C 0 0 4.6074 -4.1907 0.0000 C 0 0 6.0220 -4.6897 0.0000 C 0 0 6.2971 -6.1643 0.0000 C 0 0 5.1577 -7.1398 0.0000 C 0 0 3.7431 -6.6409 0.0000 C 0 0 3.4680 -5.1663 0.0000 C 0 0 2.8316 -7.4213 0.0000 F 0 0 7.4288 -6.5635 0.0000 F 0 0 -3.1777 -1.8630 0.0000 O 0 0 2.5697 8.0301 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 32 2 0 9 10 1 0 10 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 31 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 30 1 0 26 27 2 0 27 28 1 0 27 29 1 0 M CHG 1 7 1 M END > ZINC04631113 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -2.2935 3.7700 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 9.4010 -6.4153 0.0000 O 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 32 2 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 31 1 0 29 30 1 0 M CHG 1 19 1 M END > ZINC04631054 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 11.6397 -5.0965 0.0000 C 0 0 10.8782 -3.8032 0.0000 O 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 30 2 0 15 16 1 0 16 17 1 0 16 27 2 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 32 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 M CHG 1 25 1 M END > ZINC04631048 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 9.4010 -6.4153 0.0000 C 0 3 8.6617 -7.7214 0.0000 N 0 0 2.8402 -8.9181 0.0000 N 0 0 10.9018 -6.4060 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 31 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 29 30 1 0 29 32 2 0 M CHG 2 17 1 29 1 M END > ZINC04631169 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 8.6617 -7.7214 0.0000 C 0 0 9.4010 -6.4153 0.0000 O 0 0 8.6404 -5.1215 0.0000 C 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0192 6.9767 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 30 2 0 15 16 1 0 16 17 1 0 16 27 2 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 32 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 M CHG 1 25 1 M END > ZINC04631044 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 9.3261 1.4000 0.0000 C 0 0 8.5885 0.0929 0.0000 C 0 0 7.0877 0.0772 0.0000 N 0 0 6.3215 1.3677 0.0000 C 0 0 4.8208 1.3504 0.0000 C 0 0 4.0558 2.6407 0.0000 C 0 0 2.5559 2.6233 0.0000 C 0 0 2.5860 0.0254 0.0000 C 0 0 4.0859 0.0428 0.0000 C 0 0 1.1277 0.0077 0.0000 C 0 0 6.3541 -1.2320 0.0000 C 0 0 5.3542 -1.2446 0.0000 O 0 0 7.1192 -2.5204 0.0000 C 0 0 8.5868 -2.6481 0.0000 C 0 0 8.9405 -4.0990 0.0000 C 0 0 10.2694 -4.8033 0.0000 C 0 0 10.3016 -6.3226 0.0000 C 0 0 9.0264 -7.1031 0.0000 C 0 0 7.6880 -6.3833 0.0000 C 0 0 7.6653 -4.8794 0.0000 C 0 0 6.5342 -3.9045 0.0000 N 0 0 5.0464 -3.7281 0.0000 C 0 0 4.1473 -4.9298 0.0000 C 0 0 4.7383 -6.3085 0.0000 C 0 0 3.8397 -7.5096 0.0000 C 0 0 2.3503 -7.3320 0.0000 C 0 0 1.7594 -5.9533 0.0000 C 0 0 2.6579 -4.7522 0.0000 C 0 0 0.2694 -5.7726 0.0000 C 0 3 -0.3198 -4.3923 0.0000 N 0 0 1.8210 1.3157 0.0000 N 0 3 -0.6341 -6.9709 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 11 1 0 4 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 7 31 1 0 8 9 2 0 8 31 1 0 10 31 1 0 11 12 2 0 11 13 1 0 13 21 1 0 13 14 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 32 2 0 M CHG 2 29 1 31 1 M END > ZINC04631018 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -3.6414 -0.7202 0.0000 C 0 0 -3.1301 -2.1251 0.0000 C 0 0 -1.6347 -2.3957 0.0000 C 0 0 -0.6802 -1.2334 0.0000 C 0 0 -1.1915 0.1715 0.0000 C 0 0 -2.6698 0.4483 0.0000 C 0 0 -0.0111 1.0862 0.0000 C 0 0 1.2166 0.2719 0.0000 C 0 0 0.8121 -1.1753 0.0000 N 0 0 1.7392 -2.3522 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 -0.2852 -3.4413 0.0000 C 0 0 -1.2837 -4.5606 0.0000 C 0 0 -0.8135 -5.9851 0.0000 C 0 0 0.6551 -6.2901 0.0000 C 0 0 1.6537 -5.1707 0.0000 C 0 0 1.1285 -7.7143 0.0000 C 0 3 2.5984 -8.0175 0.0000 N 0 0 2.6199 0.7973 0.0000 C 0 0 2.8169 1.9810 0.0000 O 0 0 3.7791 -0.1559 0.0000 N 0 0 5.1846 0.3705 0.0000 C 0 0 6.3438 -0.5827 0.0000 C 0 0 7.7482 -0.0557 0.0000 C 0 0 8.9068 -1.0084 0.0000 C 0 0 8.6610 -2.4881 0.0000 C 0 0 7.2567 -3.0152 0.0000 C 0 0 6.0980 -2.0625 0.0000 C 0 0 7.0077 -4.4952 0.0000 C 0 0 7.9333 -5.2590 0.0000 O 0 0 5.6018 -5.0205 0.0000 N 0 0 0.1337 -8.8381 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 32 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 29 31 1 0 M CHG 1 17 1 M END > ZINC04631175 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -3.6414 -0.7202 0.0000 C 0 0 -3.1301 -2.1251 0.0000 C 0 0 -1.6347 -2.3957 0.0000 C 0 0 -0.6802 -1.2334 0.0000 C 0 0 -1.1915 0.1715 0.0000 C 0 0 -2.6698 0.4483 0.0000 C 0 0 -0.0111 1.0862 0.0000 C 0 0 1.2166 0.2719 0.0000 C 0 0 0.8121 -1.1753 0.0000 N 0 0 1.7392 -2.3522 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 -0.2852 -3.4413 0.0000 C 0 0 -1.2837 -4.5606 0.0000 C 0 0 -0.8135 -5.9851 0.0000 C 0 0 0.6551 -6.2901 0.0000 C 0 0 1.6537 -5.1707 0.0000 C 0 0 1.1285 -7.7143 0.0000 C 0 3 2.5984 -8.0175 0.0000 N 0 0 2.6199 0.7973 0.0000 C 0 0 2.8169 1.9810 0.0000 O 0 0 3.7791 -0.1559 0.0000 N 0 0 5.1846 0.3705 0.0000 C 0 0 6.3438 -0.5827 0.0000 C 0 0 7.7482 -0.0557 0.0000 C 0 0 8.9068 -1.0084 0.0000 C 0 0 8.6610 -2.4881 0.0000 C 0 0 7.2567 -3.0152 0.0000 C 0 0 6.0980 -2.0625 0.0000 C 0 0 7.0077 -4.4952 0.0000 C 0 3 5.6018 -5.0205 0.0000 N 0 0 0.1337 -8.8381 0.0000 N 0 0 8.1633 -5.4528 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 31 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 32 2 0 M CHG 2 17 1 29 1 M END > ZINC04631177 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -0.5675 1.6732 0.0000 C 0 0 -1.0788 0.2684 0.0000 C 0 0 -0.1072 -0.9002 0.0000 C 0 0 1.3711 -0.6233 0.0000 C 0 0 1.8825 0.7815 0.0000 C 0 0 0.9280 1.9438 0.0000 C 0 0 3.3747 0.7234 0.0000 C 0 0 3.7917 -0.6895 0.0000 C 0 0 2.5516 -1.5380 0.0000 N 0 0 2.5054 -3.0356 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 -0.2852 -3.4413 0.0000 C 0 0 -1.2837 -4.5606 0.0000 C 0 0 -0.8135 -5.9851 0.0000 C 0 0 0.6551 -6.2901 0.0000 C 0 0 1.6537 -5.1707 0.0000 C 0 0 0.6097 -7.7902 0.0000 C 0 0 1 0 0 0 5.2044 -1.1890 0.0000 C 0 0 6.1162 -0.4088 0.0000 O 0 0 5.4797 -2.6643 0.0000 O 0 0 6.8947 -3.1645 0.0000 C 0 0 7.1700 -4.6399 0.0000 C 0 0 8.5846 -5.1388 0.0000 C 0 0 8.8598 -6.6134 0.0000 C 0 0 7.7203 -7.5890 0.0000 C 0 0 6.3058 -7.0900 0.0000 C 0 0 6.0306 -5.6154 0.0000 C 0 0 5.5683 -8.3971 0.0000 C 0 0 1 0 0 0 -0.7117 -8.5018 0.0000 N 0 3 1.9581 -7.0672 0.0000 N 0 3 6.3308 -9.6898 0.0000 N 0 3 4.7888 -7.0807 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 18 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 29 1 6 17 30 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 31 1 1 28 32 1 0 M CHG 4 29 1 30 1 31 1 32 1 M END > ZINC03831927 > 7 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 1.1024 7.7147 0.0000 C 0 3 0.6394 6.2871 0.0000 C 0 0 -0.8283 5.9774 0.0000 C 0 0 -1.2940 4.5516 0.0000 C 0 0 -0.2920 3.4353 0.0000 C 0 0 1.1757 3.7449 0.0000 C 0 0 1.6414 5.1708 0.0000 C 0 0 1.7358 2.3526 0.0000 C 0 0 0.8121 1.1725 0.0000 N 0 0 -0.6802 1.2306 0.0000 C 0 0 -1.6347 2.3929 0.0000 C 0 0 -3.1301 2.1223 0.0000 C 0 0 -3.6414 0.7175 0.0000 C 0 0 -2.6698 -0.4511 0.0000 C 0 0 -1.1915 -0.1742 0.0000 C 0 0 -0.0111 -1.0889 0.0000 C 0 0 1.2291 -0.2404 0.0000 C 0 0 2.6418 -0.7399 0.0000 C 0 0 3.5535 0.0403 0.0000 O 0 0 2.9171 -2.2152 0.0000 O 0 0 4.3321 -2.7154 0.0000 C 0 0 4.6074 -4.1907 0.0000 C 0 0 6.0220 -4.6897 0.0000 C 0 0 6.2971 -6.1643 0.0000 C 0 0 5.1577 -7.1398 0.0000 C 0 0 3.7431 -6.6409 0.0000 C 0 0 3.4680 -5.1663 0.0000 C 0 0 2.6011 -7.6146 0.0000 C 0 3 1.1864 -7.1134 0.0000 N 0 0 0.0983 8.8301 0.0000 N 0 0 2.5697 8.0301 0.0000 N 0 0 2.8708 -9.0910 0.0000 N 0 0 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 17 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 28 32 2 0 M CHG 2 1 1 28 1 M END > ZINC02047781 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -3.1748 1.8613 0.0000 C 0 0 -2.6698 0.4483 0.0000 C 0 0 -3.6414 -0.7202 0.0000 C 0 0 -3.1301 -2.1251 0.0000 C 0 0 -1.6347 -2.3957 0.0000 C 0 0 -0.6802 -1.2334 0.0000 C 0 0 -1.1915 0.1715 0.0000 C 0 0 -0.0111 1.0862 0.0000 C 0 0 1.2166 0.2719 0.0000 C 0 0 0.8121 -1.1753 0.0000 N 0 0 1.7392 -2.3522 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 -0.2852 -3.4413 0.0000 C 0 0 -1.2837 -4.5606 0.0000 C 0 0 -0.8135 -5.9851 0.0000 C 0 0 0.6551 -6.2901 0.0000 C 0 0 1.6537 -5.1707 0.0000 C 0 0 1.1285 -7.7143 0.0000 C 0 3 2.5984 -8.0175 0.0000 N 0 0 2.6199 0.7973 0.0000 C 0 0 2.8169 1.9810 0.0000 O 0 0 3.7791 -0.1559 0.0000 O 0 0 5.1846 0.3705 0.0000 C 0 0 6.3438 -0.5827 0.0000 C 0 0 7.7482 -0.0557 0.0000 C 0 0 8.9068 -1.0084 0.0000 C 0 0 8.6610 -2.4881 0.0000 C 0 0 7.2567 -3.0152 0.0000 C 0 0 6.0980 -2.0625 0.0000 C 0 0 7.0077 -4.4952 0.0000 C 0 3 5.6018 -5.0205 0.0000 N 0 0 0.1337 -8.8381 0.0000 N 0 0 8.1633 -5.4528 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 32 2 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 30 33 2 0 M CHG 2 18 1 30 1 M END > ZINC04631085 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 13.5527 -2.1419 0.0000 C 0 0 12.6145 -3.3130 0.0000 C 0 0 13.1520 -4.7345 0.0000 C 0 0 12.2106 -5.8958 0.0000 C 0 0 10.7086 -5.6640 0.0000 C 0 0 10.1853 -4.2540 0.0000 C 0 0 11.1268 -3.0927 0.0000 C 0 0 10.3091 -1.8430 0.0000 C 0 0 8.8830 -2.2125 0.0000 C 0 0 8.7936 -3.7125 0.0000 N 0 0 7.3322 -4.0429 0.0000 C 0 0 6.8860 -5.4758 0.0000 C 0 0 7.9033 -6.5781 0.0000 C 0 0 7.4573 -8.0103 0.0000 C 0 0 5.9940 -8.3401 0.0000 C 0 0 4.9767 -7.2378 0.0000 C 0 0 5.4227 -5.8056 0.0000 C 0 0 3.5119 -7.5648 0.0000 C 0 3 2.4956 -6.4605 0.0000 N 0 0 7.7278 -1.2583 0.0000 C 0 0 6.6035 -1.6779 0.0000 O 0 0 7.9759 0.2219 0.0000 N 0 0 6.8187 1.1776 0.0000 C 0 0 7.0668 2.6578 0.0000 C 0 0 2 0 0 0 5.5880 2.6089 0.0000 C 0 0 4.8268 3.9014 0.0000 C 0 0 5.5656 5.2069 0.0000 N 0 0 7.0656 5.2198 0.0000 C 0 0 7.8267 3.9273 0.0000 C 0 0 4.8067 6.5017 0.0000 C 0 3 5.5477 7.8068 0.0000 N 0 0 3.0602 -8.9961 0.0000 N 0 0 3.3059 6.4945 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 32 2 0 20 21 2 0 20 22 1 0 22 23 1 0 24 23 1 6 24 29 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 30 1 0 28 29 1 0 30 31 1 0 30 33 2 0 M CHG 2 18 1 30 1 M END > ZINC04631073 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 9.5685 6.9776 0.0000 C 0 0 10.5622 5.8533 0.0000 C 0 0 12.0546 6.1403 0.0000 C 0 0 13.0382 5.0144 0.0000 C 0 0 12.5534 3.5740 0.0000 C 0 0 11.0747 3.2991 0.0000 C 0 0 10.0912 4.4250 0.0000 C 0 0 8.7203 3.8327 0.0000 C 0 0 8.8409 2.3644 0.0000 C 0 0 10.3036 2.0202 0.0000 N 0 0 10.3796 0.5239 0.0000 C 0 0 11.7153 -0.1604 0.0000 C 0 0 12.9752 0.6538 0.0000 C 0 0 14.3102 -0.0301 0.0000 C 0 0 14.3854 -1.5282 0.0000 C 0 0 13.1256 -2.3424 0.0000 C 0 0 11.7905 -1.6585 0.0000 C 0 0 13.1977 -3.8415 0.0000 C 0 3 11.9361 -4.6544 0.0000 N 0 0 7.7034 1.3891 0.0000 C 0 0 6.5716 1.7879 0.0000 O 0 0 7.9787 -0.0863 0.0000 N 0 0 6.8393 -1.0631 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 2 0 0 0 5.6352 -2.5168 0.0000 C 0 0 4.8979 -3.8231 0.0000 C 0 0 5.6606 -5.1148 0.0000 C 0 0 1 0 0 0 7.1605 -5.1001 0.0000 C 0 0 7.8978 -3.7938 0.0000 C 0 0 4.2621 -5.6004 0.0000 C 0 3 3.1026 -4.6475 0.0000 N 0 0 14.5308 -4.5309 0.0000 N 0 0 4.0131 -7.0804 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 32 2 0 20 21 2 0 20 22 1 0 22 23 1 0 24 23 1 1 24 29 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 30 1 1 28 29 1 0 30 31 1 0 30 33 2 0 M CHG 2 18 1 30 1 M END > ZINC04631072 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 1.4494 3.3508 0.0000 C 0 0 0.9280 1.9438 0.0000 C 0 0 -0.5675 1.6732 0.0000 C 0 0 -1.0788 0.2684 0.0000 C 0 0 -0.1072 -0.9002 0.0000 C 0 0 1.3711 -0.6233 0.0000 C 0 0 1.8825 0.7815 0.0000 C 0 0 3.3747 0.7234 0.0000 C 0 0 3.7917 -0.6895 0.0000 C 0 0 2.5516 -1.5380 0.0000 N 0 0 2.5054 -3.0356 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 -0.2852 -3.4413 0.0000 C 0 0 -1.2837 -4.5606 0.0000 C 0 0 -0.8135 -5.9851 0.0000 C 0 0 0.6551 -6.2901 0.0000 C 0 0 1.6537 -5.1707 0.0000 C 0 0 1.1285 -7.7143 0.0000 C 0 3 2.5984 -8.0175 0.0000 N 0 0 5.2044 -1.1890 0.0000 C 0 0 6.1162 -0.4088 0.0000 O 0 0 5.4797 -2.6643 0.0000 N 0 0 6.8947 -3.1645 0.0000 C 0 0 7.1700 -4.6399 0.0000 C 0 0 8.5846 -5.1388 0.0000 C 0 0 8.8598 -6.6134 0.0000 C 0 0 7.7203 -7.5890 0.0000 C 0 0 6.3058 -7.0900 0.0000 C 0 0 6.0306 -5.6154 0.0000 C 0 0 5.1637 -8.0637 0.0000 N 0 3 4.0326 -7.6629 0.0000 O 0 0 5.3818 -9.2438 0.0000 O 0 5 0.1337 -8.8381 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 33 2 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 30 32 1 0 M CHG 3 18 1 30 1 32 -1 M END > ZINC04631078 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 9.2884 4.0048 0.0000 C 0 0 8.5551 2.6963 0.0000 C 0 0 7.0552 2.6770 0.0000 C 0 0 6.2886 3.9663 0.0000 C 0 0 7.0219 5.2749 0.0000 C 0 0 8.5217 5.2941 0.0000 C 0 0 6.2575 6.5665 0.0000 C 0 3 6.9930 7.8747 0.0000 N 0 0 6.3215 1.3677 0.0000 C 0 0 7.0877 0.0772 0.0000 N 0 0 6.3541 -1.2320 0.0000 C 0 0 5.3542 -1.2446 0.0000 O 0 0 7.1192 -2.5204 0.0000 C 0 0 8.5868 -2.6481 0.0000 C 0 0 8.9405 -4.0990 0.0000 C 0 0 10.2694 -4.8033 0.0000 C 0 0 10.3016 -6.3226 0.0000 C 0 0 9.0264 -7.1031 0.0000 C 0 0 7.6880 -6.3833 0.0000 C 0 0 7.6653 -4.8794 0.0000 C 0 0 6.5342 -3.9045 0.0000 N 0 0 5.0464 -3.7281 0.0000 C 0 0 4.1473 -4.9298 0.0000 C 0 0 4.7383 -6.3085 0.0000 C 0 0 3.8397 -7.5096 0.0000 C 0 0 2.3503 -7.3320 0.0000 C 0 0 1.7594 -5.9533 0.0000 C 0 0 2.6579 -4.7522 0.0000 C 0 0 0.2694 -5.7726 0.0000 C 0 3 -0.3198 -4.3923 0.0000 N 0 0 11.6138 -7.0510 0.0000 O 0 0 4.7567 6.5529 0.0000 N 0 0 -0.6341 -6.9709 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 32 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 21 1 0 13 14 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 31 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 33 2 0 M CHG 2 7 1 29 1 M END > ZINC04631092 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -1.2940 4.5516 0.0000 C 0 0 -0.2920 3.4353 0.0000 C 0 0 1.1757 3.7449 0.0000 C 0 0 1.6414 5.1708 0.0000 C 0 0 0.6394 6.2871 0.0000 C 0 0 -0.8283 5.9774 0.0000 C 0 0 1.1024 7.7147 0.0000 C 0 3 0.0983 8.8301 0.0000 N 0 0 1.7358 2.3526 0.0000 C 0 0 0.8121 1.1725 0.0000 N 0 0 -0.6802 1.2306 0.0000 C 0 0 -1.6347 2.3929 0.0000 C 0 0 -3.1301 2.1223 0.0000 C 0 0 -3.6414 0.7175 0.0000 C 0 0 -2.6698 -0.4511 0.0000 C 0 0 -1.1915 -0.1742 0.0000 C 0 0 -0.0111 -1.0889 0.0000 C 0 0 1.2291 -0.2404 0.0000 C 0 0 2.6418 -0.7399 0.0000 C 0 0 3.5535 0.0403 0.0000 O 0 0 2.9171 -2.2152 0.0000 N 0 0 4.3321 -2.7154 0.0000 C 0 0 4.6074 -4.1907 0.0000 C 0 0 6.0220 -4.6897 0.0000 C 0 0 6.2971 -6.1643 0.0000 C 0 0 5.1577 -7.1398 0.0000 C 0 0 3.7431 -6.6409 0.0000 C 0 0 3.4680 -5.1663 0.0000 C 0 0 5.4300 -8.6158 0.0000 C 0 3 4.2886 -9.5902 0.0000 N 0 0 -3.1777 -1.8630 0.0000 O 0 0 2.5697 8.0301 0.0000 N 0 0 6.8434 -9.1204 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 32 2 0 9 10 1 0 10 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 31 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 29 30 1 0 29 33 2 0 M CHG 2 7 1 29 1 M END > ZINC04631119 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 C 0 0 10.8782 -3.8032 0.0000 C 0 3 11.6397 -5.0965 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.6375 2.3833 0.0000 C 0 0 2.0774 3.7757 0.0000 C 0 0 3.0027 4.9563 0.0000 C 0 0 2.4429 6.3479 0.0000 C 0 0 0.9579 6.5590 0.0000 C 0 0 0.0326 5.3784 0.0000 C 0 0 0.5924 3.9867 0.0000 C 0 0 -1.4538 5.5864 0.0000 C 0 3 -2.3779 4.4039 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 11.6206 -2.4988 0.0000 N 0 0 -2.0192 6.9767 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 32 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 30 2 0 15 16 1 0 16 17 1 0 16 27 2 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 33 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 M CHG 2 7 1 25 1 M END > ZINC02007314 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -3.1748 1.8613 0.0000 C 0 0 -2.6698 0.4483 0.0000 C 0 0 -3.6414 -0.7202 0.0000 C 0 0 -3.1301 -2.1251 0.0000 C 0 0 -1.6347 -2.3957 0.0000 C 0 0 -0.6802 -1.2334 0.0000 C 0 0 -1.1915 0.1715 0.0000 C 0 0 -0.0111 1.0862 0.0000 C 0 0 1.2166 0.2719 0.0000 C 0 0 0.8121 -1.1753 0.0000 N 0 0 1.7392 -2.3522 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 -0.2852 -3.4413 0.0000 C 0 0 -1.2837 -4.5606 0.0000 C 0 0 -0.8135 -5.9851 0.0000 C 0 0 0.6551 -6.2901 0.0000 C 0 0 1.6537 -5.1707 0.0000 C 0 0 1.1285 -7.7143 0.0000 C 0 3 2.5984 -8.0175 0.0000 N 0 0 2.6199 0.7973 0.0000 C 0 0 2.8169 1.9810 0.0000 O 0 0 3.7791 -0.1559 0.0000 N 0 0 5.1846 0.3705 0.0000 C 0 0 6.3438 -0.5827 0.0000 C 0 0 7.7482 -0.0557 0.0000 C 0 0 8.9068 -1.0084 0.0000 C 0 0 8.6610 -2.4881 0.0000 C 0 0 7.2567 -3.0152 0.0000 C 0 0 6.0980 -2.0625 0.0000 C 0 0 7.0077 -4.4952 0.0000 C 0 3 5.6018 -5.0205 0.0000 N 0 0 0.1337 -8.8381 0.0000 N 0 0 8.1633 -5.4528 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 20 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 32 2 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 30 33 2 0 M CHG 2 18 1 30 1 M END > ZINC03941406 > 7 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -2.2935 3.7700 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6145 -2.5235 0.0000 C 0 0 9.3774 -3.8150 0.0000 C 0 0 8.6404 -5.1215 0.0000 N 0 0 7.1405 -5.1364 0.0000 C 0 0 6.3776 -3.8449 0.0000 C 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 12 23 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 33 2 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 32 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 M CHG 1 21 1 M END > ZINC04631047 > 7 $$$$ SciTegic07110717352D 29 33 0 0 0 0 999 V2000 -2.3270 1.7783 0.0000 C 0 0 -0.9975 1.0421 0.0000 C 0 0 0.2795 1.8365 0.0000 C 0 0 0.2462 3.3312 0.0000 C 0 0 1.6577 3.8186 0.0000 C 0 0 2.5599 2.6169 0.0000 C 0 0 1.7115 1.4126 0.0000 S 0 0 4.0582 2.6335 0.0000 S 0 0 1 0 0 0 4.6462 3.6796 0.0000 O 0 0 5.0581 2.6452 0.0000 O 0 0 4.8239 1.3427 0.0000 N 0 0 6.3246 1.3595 0.0000 C 0 0 1 0 0 0 7.7856 1.2739 0.0000 C 0 0 8.1136 -0.1898 0.0000 C 0 0 6.8229 -0.9541 0.0000 N 0 0 5.6972 0.0373 0.0000 C 0 0 4.7177 -0.1642 0.0000 O 0 0 6.6827 -2.4458 0.0000 C 0 0 7.9060 -3.3153 0.0000 C 0 0 7.9005 -4.7776 0.0000 C 0 0 9.3192 -5.2438 0.0000 C 0 0 9.9173 -6.6238 0.0000 C 0 0 11.4295 -6.7748 0.0000 C 0 0 12.3074 -5.5647 0.0000 N 0 0 11.6946 -4.1741 0.0000 C 0 0 10.1971 -4.0337 0.0000 C 0 0 9.3137 -2.8297 0.0000 N 0 0 -1.0651 4.0678 0.0000 N 0 0 -2.3604 3.2729 0.0000 C 0 0 1 29 2 0 1 2 1 0 2 3 2 0 3 7 1 0 3 4 1 0 4 5 1 0 4 28 2 0 5 6 2 0 6 7 1 0 8 6 1 1 8 9 2 0 8 10 2 0 8 11 1 0 12 11 1 1 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 19 1 0 19 27 1 0 19 20 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 28 29 1 0 M END > ZINC03815573 > 8 $$$$ SciTegic07110717352D 29 31 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 3 0 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 2 0 0 0 1.2978 3.7529 0.0000 C 0 0 2.2583 6.4042 0.0000 C 0 0 2 0 0 0 1.7437 7.8140 0.0000 C 0 0 2.7065 8.9652 0.0000 C 0 0 2.1919 10.3750 0.0000 C 0 0 3.1547 11.5263 0.0000 N 0 0 2.6401 12.9361 0.0000 C 0 0 1 0 0 0 1.1620 13.1922 0.0000 C 0 0 0.6448 14.6002 0.0000 C 0 0 3.0835 15.4961 0.0000 C 0 0 3.6008 14.0881 0.0000 C 0 0 2.7801 4.9659 0.0000 C 0 0 2.0083 4.0470 0.0000 O 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1.6055 15.7522 0.0000 N 0 0 3.9617 4.7567 0.0000 O 0 5 2 1 1 6 1 26 1 0 1 27 2 0 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 6 5 1 6 6 7 1 0 6 8 1 0 8 13 1 4 8 9 1 0 9 10 1 0 10 11 1 0 12 11 1 1 12 13 1 0 12 14 1 0 14 15 1 6 14 24 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 18 1 1 19 23 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 24 25 2 0 24 29 1 0 M CHG 2 1 1 29 -1 M END > ZINC03815585 > 9 $$$$ SciTegic07110717352D 30 32 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 3.8968 -0.7523 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -2.5952 6.0101 0.0000 N 0 0 -2.5974 7.5109 0.0000 C 0 0 -3.6376 8.1091 0.0000 O 0 0 -1.2992 8.2641 0.0000 C 0 0 0.0000 7.5141 0.0000 C 0 0 1.2990 8.2642 0.0000 C 0 0 1.2989 9.7642 0.0000 C 0 0 -0.0001 10.5141 0.0000 C 0 0 -1.2991 9.7641 0.0000 C 0 0 2.5971 10.5173 0.0000 O 0 0 2.5949 12.0182 0.0000 C 0 0 -7.7928 3.0093 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 30 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > ZINC00587692 > 10 $$$$ SciTegic07110717352D 31 33 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 -1.0351 3.6026 0.0000 O 0 0 1.3039 3.7494 0.0000 N 0 0 1.3070 5.2502 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 2.6060 7.5003 0.0000 C 0 0 2.6060 6.0003 0.0000 C 0 0 3.9073 5.2526 0.0000 N 0 0 5.2060 6.0049 0.0000 C 0 0 5.2039 7.2049 0.0000 O 0 0 6.5073 5.2572 0.0000 C 0 0 6.5074 3.7571 0.0000 C 0 0 7.8065 3.0071 0.0000 C 0 0 9.1055 3.7572 0.0000 C 0 0 9.1054 5.2572 0.0000 C 0 0 7.8064 6.0071 0.0000 C 0 0 10.5835 3.4966 0.0000 C 0 0 1 0 0 0 11.0978 2.0867 0.0000 C 0 0 11.5478 4.6466 0.0000 C 0 0 9.6027 2.3224 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 26 23 1 6 24 25 1 0 26 27 1 0 26 28 1 0 26 29 1 0 M CHG 1 1 1 M END > ZINC03815580 > 10 $$$$ SciTegic07110717352D 31 33 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.6078 5.9988 0.0000 N 0 0 2.6109 7.4996 0.0000 C 0 0 1.5727 8.1014 0.0000 O 0 0 3.9117 8.2482 0.0000 C 0 0 5.2082 7.4937 0.0000 C 0 0 6.5098 8.2392 0.0000 C 0 0 6.5150 9.7392 0.0000 C 0 0 5.2186 10.4937 0.0000 C 0 0 3.9170 9.7482 0.0000 C 0 0 7.8173 10.4851 0.0000 C 0 0 9.1126 9.7286 0.0000 C 0 0 10.4154 10.4721 0.0000 C 0 0 10.4230 11.9720 0.0000 C 0 0 9.1277 12.7286 0.0000 C 0 0 7.8249 11.9852 0.0000 C 0 0 6.5290 12.7422 0.0000 S 0 0 1 0 0 0 5.4869 12.1471 0.0000 O 0 0 5.4926 13.3469 0.0000 O 0 0 6.5357 14.2430 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 26 25 1 1 26 27 2 0 26 28 2 0 26 29 1 0 M CHG 1 1 1 M END > ZINC03815604 > 11 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 11.9767 11.0078 0.0000 C 0 0 12.5695 8.0871 0.0000 C 0 0 11.4335 7.1076 0.0000 C 0 0 10.0171 7.6016 0.0000 C 0 0 9.7368 9.0751 0.0000 C 0 0 10.8728 10.0547 0.0000 C 0 0 8.8805 6.6215 0.0000 C 0 0 7.4631 7.1148 0.0000 C 0 0 6.3265 6.1347 0.0000 N 0 0 4.9091 6.6281 0.0000 C 0 0 4.7219 7.6104 0.0000 O 0 0 3.7745 5.6495 0.0000 C 0 0 3.3956 4.2258 0.0000 C 0 0 1.9055 4.1276 0.0000 C 0 0 0.9827 2.9400 0.0000 C 0 0 -0.5195 3.1703 0.0000 C 0 0 -1.0685 4.5608 0.0000 C 0 0 -0.1287 5.7551 0.0000 C 0 0 1.3566 5.5182 0.0000 C 0 0 2.5119 6.4643 0.0000 N 0 0 2.9422 7.8995 0.0000 C 0 0 1.9134 8.9922 0.0000 C 0 0 0.4237 9.1679 0.0000 C 0 0 -0.1689 10.5459 0.0000 C 0 0 0.7281 11.7481 0.0000 C 0 0 2.2178 11.5724 0.0000 C 0 0 2.8104 10.1944 0.0000 C 0 0 3.1177 12.7735 0.0000 C 0 3 4.6080 12.5955 0.0000 N 0 0 12.2891 9.5607 0.0000 N 0 3 2.5300 14.1544 0.0000 N 0 0 1 30 1 0 2 3 1 0 2 30 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 6 30 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 20 1 0 12 13 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 28 31 2 0 M CHG 2 28 1 30 1 M END > ZINC03831885 > 12 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -2.2935 3.7700 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6154 -2.5245 0.0000 C 0 0 9.3532 -1.2185 0.0000 C 0 0 10.8532 -1.2045 0.0000 C 0 0 11.6152 -2.4965 0.0000 C 0 0 10.8774 -3.8025 0.0000 C 0 0 9.3774 -3.8165 0.0000 C 0 0 13.1160 -2.4856 0.0000 O 0 0 2.8402 -8.9181 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 33 2 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 29 32 1 0 30 31 1 0 M CHG 1 19 1 M END > ZINC04631051 > 12 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.6516 -2.9333 0.0000 C 0 0 4.6515 -1.8151 0.0000 C 0 0 6.1198 -2.1219 0.0000 C 0 0 6.5882 -3.5469 0.0000 C 0 0 5.5884 -4.6651 0.0000 C 0 0 4.1201 -4.3583 0.0000 C 0 0 6.0542 -6.0918 0.0000 C 0 3 5.0522 -7.2092 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 6.0541 6.0953 0.0000 C 0 0 7.5221 6.4035 0.0000 C 0 0 8.5230 5.2863 0.0000 C 0 0 8.0560 3.8609 0.0000 C 0 0 6.5880 3.5526 0.0000 C 0 0 9.9925 5.5917 0.0000 C 0 3 10.9923 4.4725 0.0000 N 0 0 7.5221 -6.4044 0.0000 N 0 0 10.4652 7.0161 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 31 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 29 30 1 0 29 32 2 0 M CHG 2 17 1 29 1 M END > ZINC04631158 > 13 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.6516 -2.9333 0.0000 C 0 0 4.6515 -1.8151 0.0000 C 0 0 6.1198 -2.1219 0.0000 C 0 0 6.5882 -3.5469 0.0000 C 0 0 5.5884 -4.6651 0.0000 C 0 0 4.1201 -4.3583 0.0000 C 0 0 6.0542 -6.0918 0.0000 C 0 3 5.0522 -7.2092 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 6.0541 6.0953 0.0000 C 0 0 7.5221 6.4035 0.0000 C 0 0 8.5230 5.2863 0.0000 C 0 0 8.0560 3.8609 0.0000 C 0 0 6.5880 3.5526 0.0000 C 0 0 9.0551 2.7410 0.0000 C 0 3 8.5858 1.3154 0.0000 N 0 0 7.5221 -6.4044 0.0000 N 0 0 10.5251 3.0438 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 31 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 32 2 0 M CHG 2 17 1 29 1 M END > ZINC04631162 > 13 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -3.6217 1.4865 0.0000 C 0 3 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1783 2.6281 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 0.0018 3.4972 0.0000 O 0 0 1.6411 5.1720 0.0000 N 0 0 0.6387 6.2890 0.0000 C 0 0 -0.8284 5.9766 0.0000 C 0 0 -1.8325 7.0910 0.0000 C 0 0 -1.3695 8.5177 0.0000 C 0 0 0.0976 8.8301 0.0000 C 0 0 1.1017 7.7158 0.0000 C 0 0 -2.3741 9.6326 0.0000 C 0 0 -3.8408 9.3180 0.0000 C 0 0 -4.8467 10.4308 0.0000 C 0 0 -4.3860 11.8582 0.0000 C 0 0 -2.9194 12.1730 0.0000 C 0 0 -1.9135 11.0602 0.0000 C 0 0 -0.4461 11.3752 0.0000 S 0 0 1 0 0 0 0.3584 10.4848 0.0000 O 0 0 0.7273 11.6265 0.0000 O 0 0 0.0158 12.8032 0.0000 N 0 0 -4.9153 0.7255 0.0000 N 0 0 -3.6376 2.9873 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 11 1 0 9 10 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 26 1 6 27 28 2 0 27 29 2 0 27 30 1 0 M CHG 1 1 1 M END > ZINC03815608 > 14 $$$$ SciTegic07110717352D 32 36 0 0 0 0 999 V2000 -3.9167 7.5009 0.0000 C 0 3 -3.9129 6.0001 0.0000 C 0 0 -5.2115 5.2494 0.0000 C 0 0 -5.2108 3.7494 0.0000 C 0 0 -3.9114 3.0001 0.0000 C 0 0 -2.6127 3.7507 0.0000 C 0 0 -2.6135 5.2507 0.0000 C 0 0 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8916 1.5016 0.0000 C 0 0 2 0 0 0 4.5283 0.2703 0.0000 C 0 0 5.2762 1.5705 0.0000 C 0 0 3.8894 3.0025 0.0000 C 0 0 2.8490 3.6006 0.0000 O 0 0 5.1875 3.7557 0.0000 N 0 0 6.5390 3.1347 0.0000 C 0 0 7.5426 4.2495 0.0000 C 0 0 6.7925 5.5485 0.0000 C 0 0 5.3253 5.2365 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -5.2179 8.2488 0.0000 N 0 0 -2.6202 8.2569 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 30 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 20 16 1 1 17 18 1 0 18 19 1 0 20 22 1 0 20 21 1 0 20 23 1 0 21 22 1 0 23 24 2 0 23 25 1 0 25 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M CHG 1 1 1 M END > ZINC03815612 > 15 $$$$ SciTegic07110717352D 32 36 0 0 0 0 999 V2000 -18.0626 1.1909 0.0000 C 0 3 -16.5617 1.1960 0.0000 C 0 0 -15.8189 2.4991 0.0000 C 0 0 -14.3189 2.5073 0.0000 C 0 0 -13.5617 1.2125 0.0000 C 0 0 -14.3046 -0.0907 0.0000 C 0 0 -15.8046 -0.0989 0.0000 C 0 0 -12.0609 1.2176 0.0000 N 0 0 -11.3052 -0.0790 0.0000 C 0 0 -9.8068 -0.0737 0.0000 C 0 0 -8.9493 1.1242 0.0000 N 0 0 -7.5206 0.6896 0.0000 C 0 0 -6.2377 1.4744 0.0000 C 0 0 -4.9138 0.7282 0.0000 C 0 0 -4.8916 -0.7666 0.0000 C 0 0 -6.1928 -1.5517 0.0000 C 0 0 -7.4985 -0.8053 0.0000 C 0 0 -8.9136 -1.2821 0.0000 N 0 0 -9.3612 -2.7119 0.0000 C 0 0 -3.4379 1.0009 0.0000 C 0 0 -2.9351 2.4150 0.0000 N 0 0 -1.5243 2.8023 0.0000 C 0 0 -1.4731 4.3041 0.0000 N 0 0 -2.8782 4.8099 0.0000 C 0 0 -3.7897 3.6249 0.0000 C 0 0 -5.2827 3.8072 0.0000 C 0 0 -5.8563 5.2145 0.0000 C 0 0 -4.9448 6.3995 0.0000 C 0 0 -3.4374 6.2061 0.0000 C 0 0 -0.3534 1.8674 0.0000 C 0 0 -18.8182 2.4876 0.0000 N 0 0 -18.8108 -0.1102 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 20 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 1 0 21 25 1 0 21 22 1 0 22 23 2 0 22 30 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 1 1 M END > ZINC03815594 > 16 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -1.2947 3.7547 0.0000 C 0 0 -1.2938 5.2548 0.0000 C 0 0 -2.5923 6.0056 0.0000 C 0 0 -3.8919 5.2565 0.0000 C 0 0 -3.8928 3.7565 0.0000 C 0 0 -2.5943 3.0056 0.0000 N 0 0 -5.1915 3.0042 0.0000 O 0 0 -6.4928 3.7520 0.0000 C 0 0 -6.4929 5.2520 0.0000 C 0 0 -7.7919 6.0020 0.0000 C 0 0 -9.0910 5.2520 0.0000 C 0 0 -9.0910 3.7520 0.0000 C 0 0 -7.7919 3.0020 0.0000 C 0 0 -10.3907 3.0017 0.0000 C 0 0 -11.7411 3.6248 0.0000 N 0 0 -12.7465 2.5117 0.0000 C 0 0 -11.9986 1.2115 0.0000 C 0 0 -10.5309 1.5210 0.0000 N 0 0 -9.4115 0.5253 0.0000 C 0 0 -2.5944 7.5064 0.0000 C 0 0 -3.6341 8.1056 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 -1.5559 8.1076 0.0000 O 0 5 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 30 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 28 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 26 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 28 29 2 0 28 33 1 0 M CHG 2 1 1 33 -1 M END > ZINC03815601 > 17 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -12.7171 -1.8337 0.0000 C 0 0 -13.3315 -0.4644 0.0000 C 0 3 -12.4552 0.7508 0.0000 N 0 0 -10.9552 0.7530 0.0000 C 0 0 -10.4937 2.1803 0.0000 C 0 0 -11.7085 2.9966 0.0000 C 0 0 1 0 0 0 -12.9208 2.1768 0.0000 C 0 0 -10.4097 3.7487 0.0000 O 0 0 -10.4107 5.2495 0.0000 C 0 0 -11.7117 5.9960 0.0000 C 0 0 -11.7158 7.4960 0.0000 C 0 0 -10.4188 8.2495 0.0000 C 0 0 -9.1178 7.5030 0.0000 C 0 0 -9.1137 6.0030 0.0000 C 0 0 -9.9094 9.6612 0.0000 C 0 0 2 0 0 0 -8.4322 9.9268 0.0000 C 0 0 -7.9229 11.3384 0.0000 C 0 0 -8.8883 12.4829 0.0000 C 0 0 -8.3661 13.9028 0.0000 C 0 0 -6.8924 14.1664 0.0000 C 0 0 -6.3841 15.5746 0.0000 C 0 0 -4.9105 15.8382 0.0000 C 0 0 -3.9451 14.6937 0.0000 C 0 0 -4.4533 13.2856 0.0000 C 0 0 -5.9270 13.0219 0.0000 C 0 0 -6.4353 11.6138 0.0000 C 0 0 -2.4672 14.9552 0.0000 C 0 3 -1.5011 13.8066 0.0000 N 0 0 -11.4146 9.3875 0.0000 C 0 0 -11.8197 8.2579 0.0000 O 0 0 -14.8243 -0.3092 0.0000 N 0 0 -1.9521 16.3649 0.0000 N 0 0 -12.1906 10.3028 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 31 2 0 3 7 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 1 15 29 1 0 16 17 1 0 17 26 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 27 1 0 24 25 1 0 25 26 1 0 27 28 1 0 27 32 2 0 29 30 2 0 29 33 1 0 M CHG 3 2 1 27 1 33 -1 M END > ZINC03791107 > 18 $$$$ SciTegic07110717352D 34 38 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 -0.0028 3.7494 0.0000 N 0 0 -0.0028 5.2502 0.0000 C 0 0 1.0366 5.8499 0.0000 O 0 0 -1.3021 6.0014 0.0000 C 0 0 -2.6571 5.3835 0.0000 C 0 0 -3.6515 6.4975 0.0000 C 0 0 -2.8933 7.7860 0.0000 C 0 0 -1.4365 7.4576 0.0000 N 0 0 -0.0379 7.9956 0.0000 C 0 0 0.1966 9.4780 0.0000 C 0 0 1.5969 10.0157 0.0000 C 0 0 1.8314 11.4973 0.0000 C 0 0 0.6655 12.4411 0.0000 C 0 0 -0.7348 11.9034 0.0000 C 0 0 -0.9692 10.4218 0.0000 C 0 0 -1.9032 12.8453 0.0000 C 0 3 -3.3035 12.3052 0.0000 N 0 0 -3.6206 9.1025 0.0000 C 0 0 -5.1403 9.1083 0.0000 C 0 0 -5.8985 7.8198 0.0000 C 0 0 -5.1555 6.4941 0.0000 C 0 0 -5.9117 5.1980 0.0000 O 0 0 -1.6743 14.3286 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 19 1 0 15 16 2 0 16 17 1 0 17 32 2 0 17 18 1 0 18 19 1 0 18 29 2 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 34 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 M CHG 1 27 1 M END > ZINC04631156 > 19 $$$$ SciTegic07110717352D 34 38 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.9981 0.0000 C 0 0 -0.0028 -3.7494 0.0000 N 0 0 -0.0028 -5.2502 0.0000 C 0 0 1.0366 -5.8499 0.0000 O 0 0 -1.3021 -6.0014 0.0000 C 0 0 -2.6571 -5.3835 0.0000 C 0 0 -3.6515 -6.4975 0.0000 C 0 0 -2.8933 -7.7860 0.0000 C 0 0 -1.4365 -7.4576 0.0000 N 0 0 -0.0379 -7.9956 0.0000 C 0 0 0.1966 -9.4780 0.0000 C 0 0 -0.9692 -10.4218 0.0000 C 0 0 -0.7348 -11.9033 0.0000 C 0 0 0.6655 -12.4411 0.0000 C 0 0 1.8314 -11.4973 0.0000 C 0 0 1.5969 -10.0157 0.0000 C 0 0 3.2335 -12.0325 0.0000 C 0 3 4.3987 -11.0865 0.0000 N 0 0 -3.6206 -9.1025 0.0000 C 0 0 -5.1403 -9.1083 0.0000 C 0 0 -5.8985 -7.8198 0.0000 C 0 0 -5.1555 -6.4941 0.0000 C 0 0 -5.9117 -5.1980 0.0000 O 0 0 3.4737 -13.5140 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 19 1 0 15 16 2 0 16 17 1 0 17 32 2 0 17 18 1 0 18 19 1 0 18 29 2 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 34 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 M CHG 1 27 1 M END > ZINC04631194 > 19 $$$$