SciTegic07110717382D 17 18 0 0 0 0 999 V2000 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 -2.5988 1.5004 0.0000 C 0 0 -3.8990 0.7508 0.0000 C 0 0 -5.1988 1.5012 0.0000 N 0 0 -6.4990 0.7516 0.0000 C 0 0 -6.4994 -0.4484 0.0000 S 0 0 -7.7988 1.5020 0.0000 N 0 0 -9.0990 0.7524 0.0000 C 0 0 -9.2347 -0.7286 0.0000 N 0 0 -10.7015 -1.0426 0.0000 C 0 0 -11.4534 0.2554 0.0000 C 0 0 -10.4512 1.3715 0.0000 S 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00005723 > 1 $$$$ SciTegic07110717382D 18 20 0 0 0 0 999 V2000 2.4392 1.6999 0.0000 C 0 0 1.7400 0.4000 0.0000 C 0 0 1 0 0 0 1.0600 1.7700 0.0000 C 0 0 -0.4100 2.0900 0.0000 N 0 0 -1.6300 1.1500 0.0000 C 0 0 -1.6300 -0.4000 0.0000 C 0 0 -2.9600 -1.1200 0.0000 C 0 0 -4.2600 -0.3700 0.0000 C 0 0 -4.2600 1.1400 0.0000 C 0 0 -2.9600 1.9100 0.0000 C 0 0 -2.9700 3.4300 0.0000 N 0 0 -0.7200 3.5800 0.0000 C 0 0 0.0058 4.5356 0.0000 O 0 0 -0.4100 -1.3100 0.0000 C 0 0 2.5129 -1.2226 0.0000 C 0 0 3.0748 -2.6143 0.0000 C 0 0 4.5608 -2.8245 0.0000 C 0 0 1.0600 -0.9700 0.0000 N 0 3 2 1 1 6 2 3 1 0 2 18 1 0 3 4 1 0 4 12 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 14 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 14 18 1 0 15 16 1 0 15 18 1 0 16 17 2 0 M CHG 1 18 1 M END > ZINC03797553 > 2 $$$$ SciTegic07110717382D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 C 0 0 -3.6380 5.4044 0.0000 S 0 0 -2.5986 7.5049 0.0000 N 0 0 -3.8979 8.2562 0.0000 C 0 0 -3.9001 9.7562 0.0000 C 0 0 -5.2002 10.5044 0.0000 C 0 0 -6.4981 9.7525 0.0000 C 0 0 -6.4960 8.2525 0.0000 C 0 0 -5.1960 7.5044 0.0000 N 0 0 -7.5382 10.3511 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 M END > ZINC00005722 > 3 $$$$ SciTegic07110717382D 19 22 0 0 0 0 999 V2000 -1.1223 4.6402 0.0000 C 0 0 -2.1175 3.5179 0.0000 C 0 0 -1.6432 2.0949 0.0000 C 0 0 -0.1736 1.7942 0.0000 C 0 0 0.8216 2.9165 0.0000 C 0 0 0.3472 4.3395 0.0000 C 0 0 -0.2146 0.2940 0.0000 C 0 0 2 0 0 0 -1.6287 0.8086 0.0000 C 0 0 -2.1900 2.2448 0.0000 C 0 0 -3.6793 2.4173 0.0000 C 0 0 -4.5400 1.4741 0.0000 C 0 0 -4.0499 -0.1579 0.0000 C 0 0 -2.5388 -0.3383 0.0000 C 0 0 -1.6947 -1.6064 0.0000 C 0 0 -2.0946 -2.7378 0.0000 O 0 0 -0.2763 -1.1618 0.0000 N 0 0 1.1595 -1.6844 0.0000 C 0 0 2.0696 -0.5374 0.0000 C 0 0 1.2255 0.7307 0.0000 S 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 7 4 1 1 5 6 1 0 7 16 1 0 7 19 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M END > ZINC02020188 > 4 $$$$ SciTegic07110717382D 20 23 0 0 0 0 999 V2000 4.3538 2.5819 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 0.1244 1.9290 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 -0.7934 0.7623 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.8581 -2.8718 0.0000 C 0 0 2 0 0 0 2.2435 -2.8187 0.0000 C 0 0 1.4809 -4.1104 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 17 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 18 17 1 6 18 20 1 0 18 19 1 0 19 20 1 0 M END > ZINC00004778 > 5 $$$$ SciTegic07110717382D 21 22 0 0 0 0 999 V2000 3.8990 -0.7508 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7502 -0.4571 0.0000 C 0 0 -3.2641 0.9530 0.0000 O 0 0 -4.7421 1.2139 0.0000 C 0 0 -5.2560 2.6240 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2993 -3.7521 0.0000 C 0 0 -2.5988 -3.0029 0.0000 C 0 0 -3.8973 -3.7537 0.0000 C 0 0 -3.8964 -5.2537 0.0000 C 0 0 -2.5969 -6.0029 0.0000 C 0 0 -1.2983 -5.2521 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 9 1 0 3 4 2 0 4 5 1 0 4 15 1 0 5 6 1 0 5 11 1 6 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03833867 > 6 $$$$ SciTegic07110717382D 21 23 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.3184 -2.6085 0.0000 C 0 0 -0.6452 -3.7591 0.0000 C 0 0 -1.6088 -4.9097 0.0000 C 0 0 2 0 0 0 -2.6287 -3.9706 0.0000 C 0 0 -2.8863 -5.4483 0.0000 C 0 0 2.5957 -2.2073 0.0000 C 0 0 1 0 0 0 3.6360 -1.6090 0.0000 F 0 0 2.5941 -3.4073 0.0000 F 0 0 3.6340 -2.8089 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 12 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 1 0 8 13 1 1 8 18 1 0 9 10 1 0 10 11 2 0 10 12 1 0 13 14 3 0 15 14 1 1 15 17 1 0 15 16 1 0 16 17 1 0 18 19 1 1 18 20 1 0 18 21 1 0 M END > ZINC03833866 > 7 $$$$ SciTegic07110717382D 22 24 0 0 0 0 999 V2000 -0.3828 7.8131 0.0000 C 0 0 -0.8921 6.4013 0.0000 C 0 0 -2.3686 6.1366 0.0000 C 0 0 -2.8776 4.7256 0.0000 N 0 0 -1.9101 3.5793 0.0000 C 0 0 -0.4336 3.8440 0.0000 N 0 0 0.0754 5.2550 0.0000 C 0 0 1.2565 5.4667 0.0000 O 0 0 -1.9089 2.0785 0.0000 O 0 0 -0.6090 1.3283 0.0000 C 0 0 2 0 0 0 -1.5875 0.2184 0.0000 C 0 0 -1.0744 -1.1912 0.0000 C 0 0 0.4028 -1.4516 0.0000 C 0 0 1.3670 -0.3026 0.0000 C 0 0 0.8539 1.1070 0.0000 C 0 0 -3.3365 7.2836 0.0000 C 0 0 -4.8140 7.0197 0.0000 C 0 0 -5.3239 5.6090 0.0000 C 0 0 -6.8005 5.3452 0.0000 C 0 0 -7.7672 6.4922 0.0000 C 0 0 -7.2574 7.9028 0.0000 C 0 0 -5.7807 8.1666 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 5 9 1 0 6 7 1 0 7 8 2 0 10 9 1 1 10 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC04617885 > 8 $$$$ SciTegic07110717382D 22 23 0 0 0 0 999 V2000 5.1910 3.7599 0.0000 C 0 0 3.8933 3.0060 0.0000 C 0 0 1 0 0 0 3.8978 1.5052 0.0000 C 0 0 2.5911 3.7520 0.0000 O 0 0 1.2933 2.9981 0.0000 C 0 0 0.2527 3.5957 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 S 0 0 2.5929 0.7486 0.0000 C 0 0 1 0 0 0 2.5565 2.2286 0.0000 C 0 0 1.2571 2.9796 0.0000 S 0 0 1.2568 4.4805 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -5.2109 0.7445 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 17 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 6 18 19 1 0 19 20 1 0 21 22 1 0 M END > ZINC00006488 > 9 $$$$ SciTegic07110717382D 22 23 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 2 0 0 0 3.8933 3.7570 0.0000 C 0 0 3.8902 5.2570 0.0000 C 0 0 5.1877 6.0097 0.0000 C 0 0 6.4883 5.2624 0.0000 C 0 0 6.4914 3.7624 0.0000 C 0 0 5.1939 3.0097 0.0000 C 0 0 5.1964 1.8097 0.0000 Cl 0 0 2.8497 5.8549 0.0000 Cl 0 0 1.2941 3.7520 0.0000 C 0 0 0.2561 3.1499 0.0000 O 0 0 1.2905 5.2529 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 11 10 1 1 11 12 1 0 11 20 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 20 21 2 0 20 22 1 0 M END > ZINC03832011 > 10 $$$$ SciTegic07110717382D 22 24 0 0 0 0 999 V2000 -0.4473 -3.6119 0.0000 C 0 0 0.8583 -2.8718 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 0.1244 1.9290 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 -0.7934 0.7623 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 2.3116 3.2771 0.0000 C 0 0 5.9135 -2.3040 0.0000 N 0 3 7.0524 -1.9261 0.0000 O 0 0 5.6716 -3.4794 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 20 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 19 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 20 21 2 0 20 22 1 0 M CHG 2 20 1 22 -1 M END > ZINC03832004 > 11 $$$$ SciTegic07110717382D 23 24 0 0 0 0 999 V2000 2.9102 -6.2317 0.0000 C 0 0 4.0312 -5.2378 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.2447 -3.1359 0.0000 C 0 0 6.2484 -4.2507 0.0000 C 0 0 5.4984 -5.5497 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 S 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 N 0 0 -1.2993 5.2529 0.0000 O 0 0 -2.5986 6.0041 0.0000 C 0 0 1 0 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2748 6.7711 0.0000 C 0 0 -3.8985 5.2541 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 19 18 1 1 19 20 1 0 19 21 1 0 19 22 1 0 M END > ZINC03833862 > 12 $$$$ SciTegic07110717382D 23 26 0 0 0 0 999 V2000 1.1732 4.6646 0.0000 C 0 0 -0.1308 3.9217 0.0000 C 0 0 -0.1400 2.4200 0.0000 N 0 0 -1.5700 1.6900 0.0000 C 0 0 -1.9100 0.4100 0.0000 C 0 0 -3.4200 0.0000 0.0000 C 0 0 -4.5300 0.9900 0.0000 C 0 0 -4.1300 2.4900 0.0000 C 0 0 -2.6400 2.9000 0.0000 N 0 0 -0.9000 -0.9600 0.0000 C 0 0 -1.2900 -2.4500 0.0000 N 0 0 0.0000 -3.3300 0.0000 C 0 0 1.1800 -2.3600 0.0000 C 0 0 0.7200 -0.9600 0.0000 N 0 0 1.5800 0.2500 0.0000 C 0 0 1.2400 1.7400 0.0000 C 0 0 2.3600 2.7900 0.0000 N 0 0 3.8400 2.3100 0.0000 C 0 0 4.1800 0.8400 0.0000 C 0 0 3.0400 -0.2100 0.0000 C 0 0 4.9525 3.3173 0.0000 O 0 0 4.6376 4.7847 0.0000 C 0 0 2.6227 -2.7665 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 10 14 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 23 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 1 0 M END > ZINC00005563 > 13 $$$$ SciTegic07110717382D 23 25 0 0 0 0 999 V2000 10.8011 4.0017 0.0000 C 0 0 9.3004 3.9867 0.0000 C 0 0 8.5622 2.6800 0.0000 C 0 0 7.0622 2.6659 0.0000 C 0 0 6.3243 1.3600 0.0000 C 0 0 7.0865 0.0680 0.0000 C 0 0 6.4963 -0.9768 0.0000 O 0 0 8.5865 0.0820 0.0000 N 0 0 9.3243 1.3880 0.0000 C 0 0 10.8250 1.4020 0.0000 C 0 0 4.8236 1.3429 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 -0.9940 -3.0137 0.0000 C 0 0 -0.9940 3.0137 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 9 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 21 1 0 13 14 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 16 23 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 22 1 0 20 21 1 0 M END > ZINC00014547 > 14 $$$$ SciTegic07110717382D 27 29 0 0 0 0 999 V2000 3.2913 -2.4206 0.0000 C 0 0 2.7771 -1.0106 0.0000 C 0 0 2 0 0 0 3.7414 0.1393 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0106 0.0000 C 0 0 -3.7425 0.1385 0.0000 O 0 0 -5.2205 -0.1222 0.0000 C 0 0 -6.1860 1.0269 0.0000 C 0 0 -7.6630 0.7655 0.0000 C 0 0 -8.6279 1.9140 0.0000 C 0 0 -8.1158 3.3238 0.0000 C 0 0 -6.6388 3.5852 0.0000 C 0 0 -5.6738 2.4368 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2993 -3.7521 0.0000 C 0 0 -2.5988 -3.0029 0.0000 C 0 0 -3.8973 -3.7537 0.0000 C 0 0 -3.8964 -5.2537 0.0000 C 0 0 -2.5969 -6.0029 0.0000 C 0 0 -1.2983 -5.2521 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 21 1 0 6 7 1 0 6 12 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03580965 > 15 $$$$ SciTegic07110717382D 30 34 0 0 0 0 999 V2000 2.8665 -0.0435 0.0000 C 0 0 2.1642 1.2600 0.0000 C 0 0 1 0 0 0 1.4231 2.5497 0.0000 C 0 0 1 0 0 0 0.0000 2.5497 0.0000 O 0 0 -0.7857 1.2600 0.0000 C 0 0 -2.2977 1.2600 0.0000 C 0 0 -3.0240 0.0000 0.0000 C 0 0 -2.2977 -1.3045 0.0000 C 0 0 -3.0240 -2.6090 0.0000 C 0 0 -2.3273 -3.8838 0.0000 C 0 0 -0.5485 -3.9876 0.0000 C 0 0 0.0922 -5.0022 0.0000 O 0 0 0.0000 -2.6386 0.0000 O 0 0 -0.7857 -1.3045 0.0000 C 0 0 0.0000 0.0000 0.0000 C 0 0 1.4231 0.0000 0.0000 C 0 0 2 0 0 0 0.6461 -1.2598 0.0000 O 0 0 -4.4363 -3.1167 0.0000 C 0 0 -5.5937 -2.1628 0.0000 C 0 0 -6.9990 -2.6873 0.0000 C 0 0 -7.2474 -4.1666 0.0000 C 0 0 -6.0905 -5.1214 0.0000 C 0 0 -4.6852 -4.5969 0.0000 C 0 0 -4.5509 0.0000 0.0000 O 0 0 -5.2920 1.2600 0.0000 C 0 0 1 0 0 0 -4.5509 2.5497 0.0000 C 0 0 -3.0240 2.5497 0.0000 C 0 0 -6.0075 2.5563 0.0000 C 0 0 -5.9947 -0.0437 0.0000 C 0 0 0.6528 3.8140 0.0000 C 0 0 2 1 1 6 2 16 1 0 2 3 1 0 3 4 1 0 3 30 1 1 4 5 1 0 5 15 2 0 5 6 1 0 6 27 1 0 6 7 2 0 7 8 1 0 7 24 1 0 8 14 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 25 26 1 0 25 28 1 6 25 29 1 0 26 27 2 0 M END > ZINC00598801 > 16 $$$$ SciTegic07110717382D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 2.5805 7.2040 0.0000 O 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 5.1850 6.0108 0.0000 C 0 0 6.2255 5.4129 0.0000 O 0 0 3.8982 0.7550 0.0000 C 0 0 3.8989 -0.7450 0.0000 C 0 0 5.1983 -1.4946 0.0000 C 0 0 6.4970 -0.7441 0.0000 C 0 0 6.4964 0.7559 0.0000 C 0 0 5.1971 1.5055 0.0000 C 0 0 7.7944 1.5095 0.0000 C 0 0 7.7922 2.7095 0.0000 O 0 0 7.7986 -1.4913 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -2.6003 -1.4978 0.0000 O 0 0 5.1829 7.2108 0.0000 O 0 5 8.8349 0.9117 0.0000 O 0 5 -3.6375 0.9049 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 28 1 0 4 5 2 0 4 26 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 17 1 0 8 14 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 29 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 30 1 0 26 27 2 0 26 31 1 0 M CHG 3 29 -1 30 -1 31 -1 M END > ZINC03833863 > 17 $$$$