JN3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 68 71 0 0 0 0 0 0 0 0999 V2000 -2.1113 -0.9550 0.4661 C 0 0 0 0 0 -2.5669 -0.9302 -0.9864 C 0 0 0 0 0 -3.4972 -2.0989 -1.2791 C 0 0 0 0 0 -3.8421 -2.0998 -2.6609 O 0 0 0 0 0 -2.8274 -3.4278 -0.9437 C 0 0 0 0 0 -2.3259 -3.4830 0.5155 C 0 0 0 0 0 -1.6701 -4.8437 0.8268 C 0 0 0 0 0 -0.2632 -5.0218 0.2500 C 0 0 0 0 0 -0.3321 -5.2297 -1.1569 O 0 0 0 0 0 0.6596 -3.8298 0.5713 C 0 0 0 0 0 0.0009 -2.4597 0.1931 C 0 0 0 0 0 -1.4022 -2.2759 0.8888 C 0 0 0 0 0 0.9728 -1.2669 0.4116 C 0 0 0 0 0 2.3664 -1.4768 -0.2049 C 0 0 0 0 0 2.9915 -2.8018 0.2463 C 0 0 0 0 0 2.0161 -3.9339 -0.1418 C 0 0 0 0 0 2.8476 -5.2011 0.0404 C 0 0 0 0 0 4.2709 -4.7795 -0.3666 C 0 0 0 0 0 4.2269 -3.2478 -0.5747 C 0 0 0 0 0 3.3219 -2.7370 1.7583 C 0 0 0 0 0 -1.2574 -2.2009 2.4320 C 0 0 0 0 0 5.5477 -2.5671 -0.2441 C 0 0 0 0 0 5.4148 -1.0507 -0.4167 C 0 0 0 0 0 6.6790 -3.1514 -1.1143 C 0 0 0 0 0 8.0344 -2.4745 -0.9002 C 0 0 0 0 0 8.3133 -3.6314 1.2252 O 0 0 0 0 0 8.5416 -2.6638 0.5125 C 0 0 0 0 0 9.2928 -1.6066 0.9162 O 0 0 0 0 0 -1.4769 -0.0848 0.6650 H 0 0 0 0 0 -3.0020 -0.8117 1.0951 H 0 0 0 0 0 -3.0886 0.0128 -1.1941 H 0 0 0 0 0 -1.7085 -0.9436 -1.6673 H 0 0 0 0 0 -4.4248 -1.9987 -0.7037 H 0 0 0 0 0 -3.0126 -2.2004 -3.1540 H 0 0 0 0 0 -2.0163 -3.5934 -1.6586 H 0 0 0 0 0 -3.5398 -4.2426 -1.1236 H 0 0 0 0 0 -3.2278 -3.4217 1.1435 H 0 0 0 0 0 -1.6162 -4.9649 1.9158 H 0 0 0 0 0 -2.3234 -5.6464 0.4631 H 0 0 0 0 0 0.1719 -5.9336 0.6766 H 0 0 0 0 0 0.5830 -5.2670 -1.4766 H 0 0 0 0 0 0.8335 -3.8550 1.6514 H 0 0 0 0 0 -0.1706 -2.4894 -0.8914 H 0 0 0 0 0 1.0853 -1.0562 1.4799 H 0 0 0 0 0 0.5531 -0.3605 -0.0378 H 0 0 0 0 0 2.2687 -1.4584 -1.2985 H 0 0 0 0 0 3.0145 -0.6325 0.0598 H 0 0 0 0 0 1.8166 -3.8533 -1.2231 H 0 0 0 0 0 2.4837 -6.0234 -0.5837 H 0 0 0 0 0 2.8334 -5.5438 1.0811 H 0 0 0 0 0 4.9829 -5.0698 0.4141 H 0 0 0 0 0 4.5795 -5.2807 -1.2909 H 0 0 0 0 0 4.0269 -3.0629 -1.6399 H 0 0 0 0 0 2.4675 -3.0759 2.3532 H 0 0 0 0 0 4.1789 -3.3741 1.9927 H 0 0 0 0 0 3.5629 -1.7121 2.0558 H 0 0 0 0 0 -2.1917 -2.4953 2.9205 H 0 0 0 0 0 -0.4637 -2.8709 2.7765 H 0 0 0 0 0 -1.0099 -1.1833 2.7462 H 0 0 0 0 0 5.7838 -2.7674 0.8115 H 0 0 0 0 0 4.3871 -0.7718 -0.6761 H 0 0 0 0 0 5.6951 -0.5135 0.4950 H 0 0 0 0 0 6.0729 -0.6955 -1.2167 H 0 0 0 0 0 6.7753 -4.2283 -0.9242 H 0 0 0 0 0 6.3968 -3.0513 -2.1706 H 0 0 0 0 0 8.7711 -2.9038 -1.5874 H 0 0 0 0 0 7.9538 -1.3979 -1.0808 H 0 0 0 0 0 9.6442 -1.6736 1.8294 H 0 0 0 0 0 1 2 1 0 0 0 1 12 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 2 3 1 0 0 0 2 31 1 0 0 0 2 32 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 33 1 0 0 0 4 34 1 0 0 0 5 6 1 0 0 0 5 35 1 0 0 0 5 36 1 0 0 0 6 12 1 0 0 0 6 7 1 0 0 0 6 37 1 0 0 0 7 8 1 0 0 0 7 38 1 0 0 0 7 39 1 0 0 0 8 10 1 0 0 0 8 9 1 0 0 0 8 40 1 0 0 0 9 41 1 0 0 0 10 11 1 0 0 0 10 16 1 0 0 0 10 42 1 0 0 0 11 13 1 0 0 0 11 12 1 0 0 0 11 43 1 0 0 0 12 21 1 0 0 0 13 14 1 0 0 0 13 44 1 0 0 0 13 45 1 0 0 0 14 15 1 0 0 0 14 46 1 0 0 0 14 47 1 0 0 0 15 20 1 0 0 0 15 19 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 48 1 0 0 0 17 18 1 0 0 0 17 49 1 0 0 0 17 50 1 0 0 0 18 19 1 0 0 0 18 51 1 0 0 0 18 52 1 0 0 0 19 22 1 0 0 0 19 53 1 0 0 0 20 54 1 0 0 0 20 55 1 0 0 0 20 56 1 0 0 0 21 57 1 0 0 0 21 58 1 0 0 0 21 59 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 60 1 0 0 0 23 61 1 0 0 0 23 62 1 0 0 0 23 63 1 0 0 0 24 25 1 0 0 0 24 64 1 0 0 0 24 65 1 0 0 0 25 27 1 0 0 0 25 66 1 0 0 0 25 67 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 68 1 0 0 0 M END $$$$