JBS Converted by convert_cif2sdf.py 2024/03/01 05:07:52 71 76 0 0 0 0 0 0 0 0999 V2000 2.3970 4.1151 -2.5634 O 0 0 0 0 0 1.6999 -0.6940 -0.6208 C 0 0 0 0 0 -6.7922 -0.6670 -0.0103 C 0 0 0 0 0 -3.1346 0.7690 -1.5274 C 0 0 0 0 0 -7.1057 0.5525 -0.6868 O 0 0 0 0 0 -6.0985 -0.3495 1.3161 C 0 0 0 0 0 -8.0803 -1.4458 0.2609 C 0 0 0 0 0 -5.8600 -1.5091 -0.8840 C 0 0 0 0 0 -4.5808 -0.8139 -1.0443 N 0 0 0 0 0 -4.4106 0.4898 -1.5238 N 0 0 0 0 0 -2.4392 -0.3607 -1.0516 C 0 0 0 0 0 -3.3661 -1.3209 -0.7603 C 0 0 0 0 0 -0.9710 -0.4857 -0.8963 C 0 0 0 0 0 -0.4768 -1.6192 -0.4344 N 0 0 0 0 0 0.8451 -1.7713 -0.2793 C 0 0 0 0 0 1.3972 -2.9648 0.2102 C 0 0 0 0 0 2.7452 -3.0801 0.3536 C 0 0 0 0 0 3.5986 -2.0195 0.0179 C 0 0 0 0 0 5.0654 -2.1721 0.1835 C 0 0 0 0 0 5.9054 -3.0240 -0.4774 C 0 0 0 0 0 5.5283 -4.0197 -1.5437 C 0 0 0 0 0 7.1312 -2.7958 0.0124 O 0 0 0 0 0 7.1245 -1.9353 0.8616 N 0 0 0 0 0 5.9302 -1.4624 1.0643 C 0 0 0 0 0 5.5375 -0.3848 2.0419 C 0 0 0 0 0 3.0823 -0.8294 -0.4688 C 0 0 0 0 0 1.1140 0.4984 -1.1178 C 0 0 0 0 0 -0.2034 0.5506 -1.2336 N 0 0 0 0 0 1.8982 1.5770 -1.4695 N 0 0 0 0 0 1.8887 1.7824 -2.9252 C 0 0 0 0 0 2.8152 2.9486 -3.2768 C 0 0 0 0 0 2.3949 3.9511 -1.1432 C 0 0 0 0 0 1.4639 2.7943 -0.7692 C 0 0 0 0 0 1.5174 2.5653 0.7187 C 0 0 0 0 0 2.5684 1.8582 1.2718 C 0 0 0 0 0 2.6181 1.6480 2.6374 C 0 0 0 0 0 1.6167 2.1448 3.4499 C 0 0 0 0 0 0.5657 2.8529 2.8968 C 0 0 0 0 0 0.5193 3.0670 1.5321 C 0 0 0 0 0 -2.6900 1.7011 -1.8450 H 0 0 0 0 0 -7.6948 1.1368 -0.1898 H 0 0 0 0 0 -5.1813 0.2056 1.1235 H 0 0 0 0 0 -6.7628 0.2509 1.9392 H 0 0 0 0 0 -5.8592 -1.2793 1.8327 H 0 0 0 0 0 -7.8400 -2.3757 0.7765 H 0 0 0 0 0 -8.7436 -0.8466 0.8831 H 0 0 0 0 0 -8.5736 -1.6722 -0.6842 H 0 0 0 0 0 -5.6914 -2.4751 -0.4089 H 0 0 0 0 0 -6.3166 -1.6603 -1.8622 H 0 0 0 0 0 -3.1627 -2.3083 -0.3707 H 0 0 0 0 0 0.7535 -3.7913 0.4736 H 0 0 0 0 0 3.1643 -4.0006 0.7314 H 0 0 0 0 0 5.5930 -3.5455 -2.5223 H 0 0 0 0 0 6.2103 -4.8686 -1.5053 H 0 0 0 0 0 4.5087 -4.3651 -1.3740 H 0 0 0 0 0 5.6036 0.5876 1.5559 H 0 0 0 0 0 4.5146 -0.5547 2.3781 H 0 0 0 0 0 6.2109 -0.4096 2.8992 H 0 0 0 0 0 3.7411 -0.0137 -0.7270 H 0 0 0 0 0 2.2377 0.8775 -3.4222 H 0 0 0 0 0 0.8742 2.0096 -3.2546 H 0 0 0 0 0 2.7683 3.1411 -4.3488 H 0 0 0 0 0 3.8386 2.6984 -2.9971 H 0 0 0 0 0 3.4061 3.7297 -0.8003 H 0 0 0 0 0 2.0429 4.8681 -0.6711 H 0 0 0 0 0 0.4429 3.0396 -1.0637 H 0 0 0 0 0 3.3518 1.4699 0.6366 H 0 0 0 0 0 3.4393 1.0946 3.0694 H 0 0 0 0 0 1.6546 1.9797 4.5161 H 0 0 0 0 0 -0.2167 3.2401 3.5321 H 0 0 0 0 0 -0.3008 3.6233 1.1011 H 0 0 0 0 0 32 1 1 0 0 0 32 33 1 0 0 0 1 31 1 0 0 0 36 35 2 0 0 0 36 37 1 0 0 0 35 34 1 0 0 0 37 38 2 0 0 0 34 33 1 0 0 0 34 39 2 0 0 0 33 29 1 0 0 0 38 39 1 0 0 0 5 3 1 0 0 0 31 30 1 0 0 0 6 3 1 0 0 0 3 8 1 0 0 0 3 7 1 0 0 0 29 30 1 0 0 0 29 27 1 0 0 0 8 9 1 0 0 0 12 9 1 0 0 0 12 11 2 0 0 0 27 28 2 0 0 0 27 2 1 0 0 0 28 13 1 0 0 0 9 10 1 0 0 0 11 13 1 0 0 0 11 4 1 0 0 0 13 14 2 0 0 0 2 26 2 0 0 0 2 15 1 0 0 0 25 24 1 0 0 0 26 18 1 0 0 0 10 4 2 0 0 0 24 23 2 0 0 0 24 19 1 0 0 0 23 22 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 18 19 1 0 0 0 18 17 2 0 0 0 19 20 2 0 0 0 22 20 1 0 0 0 20 21 1 0 0 0 16 17 1 0 0 0 4 40 1 0 0 0 5 41 1 0 0 0 6 42 1 0 0 0 6 43 1 0 0 0 6 44 1 0 0 0 7 45 1 0 0 0 7 46 1 0 0 0 7 47 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 12 50 1 0 0 0 16 51 1 0 0 0 17 52 1 0 0 0 21 53 1 0 0 0 21 54 1 0 0 0 21 55 1 0 0 0 25 56 1 0 0 0 25 57 1 0 0 0 25 58 1 0 0 0 26 59 1 0 0 0 30 60 1 0 0 0 30 61 1 0 0 0 31 62 1 0 0 0 31 63 1 0 0 0 32 64 1 0 0 0 32 65 1 0 0 0 33 66 1 0 0 0 35 67 1 0 0 0 36 68 1 0 0 0 37 69 1 0 0 0 38 70 1 0 0 0 39 71 1 0 0 0 M END $$$$