ZINC00084106 -OEChem-08230709433D 44 47 0 0 0 0 0 0 0999 V2000 8.2288 2.4137 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3397 3.7220 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5364 4.4116 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6393 5.6116 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 6.1258 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3471 5.4392 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 4.2354 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 3.5402 -0.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 4.2342 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 3.4995 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 4.1403 -0.1257 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 5.4769 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 6.2187 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8416 5.5475 -0.3297 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 7.4680 -0.3862 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 7.5050 -0.3314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 6.4364 -0.2326 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 2.1214 -0.0397 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 1.4066 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 1.9513 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.2421 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0090 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -0.5536 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 0.1501 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -0.4443 1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 -1.9168 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4864 1.5941 0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9126 2.4171 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 2.2837 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 4.0130 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5764 6.1485 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 7.0631 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4943 5.8390 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0242 2.5702 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 1.6499 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 2.9279 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 1.6628 -1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 -0.5615 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 -1.0206 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 0.3557 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -1.0978 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 -2.6781 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 -1.9696 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 -2.0885 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 14 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 24 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > ZINC00084106 $$$$ ZINC00784476 -OEChem-08230709433D 41 43 0 0 0 0 0 0 0999 V2000 -5.8786 7.2047 1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 7.0746 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 6.1414 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3867 4.7856 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 3.9262 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 4.4268 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 5.7932 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 6.6438 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8525 3.5084 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 3.9940 0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 2.4865 0.4275 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 1.3707 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 2.2031 0.2053 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 -0.6858 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 -0.0743 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4994 -0.7490 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 -2.0359 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -2.6496 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 -1.9786 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1503 -2.8954 -0.5087 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1619 -1.9050 -0.6301 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -3.8795 0.5163 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.7124 -1.9487 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1787 6.2242 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 7.6029 2.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7341 7.8796 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0722 8.0551 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1673 6.6764 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3873 4.3989 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 2.8678 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 6.1860 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 7.7032 0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 5.0091 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -0.4929 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.9292 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3434 -0.2727 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -3.6545 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 -2.4583 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -3.8791 -2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 -4.0242 -2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > ZINC00784476 $$$$ ZINC03970589 -OEChem-08230709433D 44 46 0 0 0 0 0 0 0999 V2000 -5.0837 9.2075 -3.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 9.9358 -4.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1874 9.2888 -5.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 7.9048 -5.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 7.1758 -4.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9837 7.8296 -3.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0737 7.2469 -5.7441 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 5.9046 -5.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 5.4268 -4.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 4.0798 -4.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 3.1995 -5.1088 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 3.2582 -8.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 3.6073 -6.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 2.7900 -7.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 4.9793 -6.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 5.4165 -7.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 5.7633 -8.8894 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1957 6.3681 -3.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 6.0716 -2.2182 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 4.9751 -2.3656 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 4.5885 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 5.2742 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 4.9775 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 3.5663 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 3.3932 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 3.4080 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8643 9.7159 -3.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 11.0118 -4.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 9.8581 -5.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 6.0994 -4.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 7.2638 -2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 7.7365 -6.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 3.7178 -3.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 7.3042 -3.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 4.4864 -3.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 6.1035 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 5.6981 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 5.0553 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 2.8351 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 3.4277 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 2.4430 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 4.2113 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 3.4697 -2.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 2.4910 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 15 2 0 0 0 0 8 9 1 0 0 0 0 9 18 1 0 0 0 0 9 10 2 0 0 0 0 10 33 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 3 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 26 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > ZINC03970589 $$$$