995 Converted by convert_cif2sdf.py 2024/03/01 05:07:52 66 66 0 0 0 0 0 0 0 0999 V2000 -3.4586 2.3125 0.3329 C 0 0 0 0 0 -3.2333 0.8824 -0.0879 C 0 0 0 0 0 -4.3712 3.1653 -0.4299 C 0 0 0 0 0 -2.8838 2.7561 1.3052 O 0 0 0 0 0 -4.8182 4.8733 -0.1584 S 0 0 0 0 0 -5.9089 5.0358 -1.5009 C 0 0 0 0 0 -5.8510 3.7858 -2.0509 C 0 0 0 0 0 -5.0843 2.8773 -1.5154 N 0 0 0 0 0 -4.4522 0.0398 0.2944 C 0 0 0 0 0 -4.2781 -1.3814 -0.2424 C 0 0 0 0 0 -2.0436 0.3569 0.5856 N 0 0 0 0 0 -0.8214 0.5687 0.0591 C 0 0 0 0 0 0.4083 0.1272 0.8094 C 0 0 0 0 0 0.7257 1.1410 1.9105 C 0 0 0 0 0 1.9083 0.6389 2.7412 C 0 0 0 0 0 1.0811 2.4882 1.2780 C 0 0 0 0 0 1.5410 0.0433 -0.1166 N 0 0 0 0 0 2.5771 -0.7743 0.1583 C 0 0 0 0 0 3.7413 -0.8612 -0.7942 C 0 0 0 0 0 4.7720 -1.8521 -0.2504 C 0 0 0 0 0 5.9544 -1.9405 -1.2167 C 0 0 0 0 0 6.6754 -0.5915 -1.2651 C 0 0 0 0 0 6.9258 -3.0208 -0.7377 C 0 0 0 0 0 2.5713 -1.4396 1.1730 O 0 0 0 0 0 -0.7116 1.1143 -1.0183 O 0 0 0 0 0 -5.4960 -2.2241 0.1410 C 0 0 0 0 0 -5.3292 -3.5897 -0.3758 N 0 0 0 0 0 -6.5252 -4.3412 0.0249 C 0 0 0 0 0 -6.6007 -5.5891 -0.7471 N 0 0 0 0 0 -6.4501 -4.6561 1.4582 N 0 0 0 0 0 -3.0873 0.8407 -1.1673 H 0 0 0 0 0 -6.4810 5.8954 -1.8162 H 0 0 0 0 0 -6.4350 3.5537 -2.9284 H 0 0 0 0 0 -4.5453 0.0100 1.3799 H 0 0 0 0 0 -5.3499 0.4835 -0.1353 H 0 0 0 0 0 -4.1838 -1.3507 -1.3279 H 0 0 0 0 0 -3.3795 -1.8253 0.1874 H 0 0 0 0 0 -2.1362 -0.1446 1.4115 H 0 0 0 0 0 0.2303 -0.8506 1.2559 H 0 0 0 0 0 -0.1454 1.2608 2.5556 H 0 0 0 0 0 2.8059 0.6261 2.1230 H 0 0 0 0 0 2.0637 1.3027 3.5917 H 0 0 0 0 0 1.6996 -0.3690 3.0992 H 0 0 0 0 0 0.2381 2.8458 0.6867 H 0 0 0 0 0 1.3061 3.2094 2.0624 H 0 0 0 0 0 1.9521 2.3674 0.6329 H 0 0 0 0 0 1.5452 0.5752 -0.9278 H 0 0 0 0 0 4.2007 0.1219 -0.8960 H 0 0 0 0 0 3.3896 -1.2010 -1.7681 H 0 0 0 0 0 4.3125 -2.8352 -0.1477 H 0 0 0 0 0 5.1246 -1.5124 0.7245 H 0 0 0 0 0 5.5912 -2.1938 -2.2126 H 0 0 0 0 0 7.0387 -0.3382 -0.2692 H 0 0 0 0 0 7.5184 -0.6542 -1.9545 H 0 0 0 0 0 5.9845 0.1785 -1.6070 H 0 0 0 0 0 7.2890 -2.7675 0.2582 H 0 0 0 0 0 6.4125 -3.9819 -0.7034 H 0 0 0 0 0 7.7685 -3.0845 -1.4270 H 0 0 0 0 0 -5.5893 -2.2549 1.2265 H 0 0 0 0 0 -6.3938 -1.7814 -0.2888 H 0 0 0 0 0 -5.3513 -3.5240 -1.3819 H 0 0 0 0 0 -7.4143 -3.7404 -0.1689 H 0 0 0 0 0 -7.4337 -6.0704 -0.4398 H 0 0 0 0 0 -6.7551 -5.3264 -1.7085 H 0 0 0 0 0 -7.2341 -5.2562 1.6651 H 0 0 0 0 0 -5.6170 -5.2099 1.5896 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 9 1 0 0 0 2 11 1 0 0 0 2 31 1 0 0 0 3 5 1 0 0 0 3 8 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 32 1 0 0 0 7 8 1 0 0 0 7 33 1 0 0 0 9 10 1 0 0 0 9 34 1 0 0 0 9 35 1 0 0 0 10 26 1 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 11 12 1 0 0 0 11 38 1 0 0 0 12 13 1 0 0 0 12 25 2 0 0 0 13 14 1 0 0 0 13 17 1 0 0 0 13 39 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 40 1 0 0 0 15 41 1 0 0 0 15 42 1 0 0 0 15 43 1 0 0 0 16 44 1 0 0 0 16 45 1 0 0 0 16 46 1 0 0 0 17 18 1 0 0 0 17 47 1 0 0 0 18 19 1 0 0 0 18 24 2 0 0 0 19 20 1 0 0 0 19 48 1 0 0 0 19 49 1 0 0 0 20 21 1 0 0 0 20 50 1 0 0 0 20 51 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 52 1 0 0 0 22 53 1 0 0 0 22 54 1 0 0 0 22 55 1 0 0 0 23 56 1 0 0 0 23 57 1 0 0 0 23 58 1 0 0 0 26 27 1 0 0 0 26 59 1 0 0 0 26 60 1 0 0 0 27 28 1 0 0 0 27 61 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 62 1 0 0 0 29 63 1 0 0 0 29 64 1 0 0 0 30 65 1 0 0 0 30 66 1 0 0 0 M END $$$$