J21 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 69 69 0 0 0 0 0 0 0 0999 V2000 -5.1651 1.8325 -0.5467 C 0 0 0 0 0 -5.9295 2.5479 0.5683 C 0 0 0 0 0 -6.8328 1.5472 1.2906 C 0 0 0 0 0 -7.5863 2.2524 2.3891 C 0 0 0 0 0 -3.8639 -0.2237 -0.6819 C 0 0 0 0 0 -2.6033 -2.2936 -0.9262 C 0 0 0 0 0 -3.1662 2.7421 -1.4027 O 0 0 0 0 0 -7.4188 3.4338 2.5742 O 0 0 0 0 0 7.0221 5.2148 -1.4469 O 0 0 0 0 0 6.6262 4.7599 -0.3943 C 0 0 0 0 0 5.6991 5.5710 0.4749 C 0 0 0 0 0 7.0142 3.5301 -0.0029 N 0 0 0 0 0 7.9144 2.7423 -0.8477 C 0 0 0 0 0 8.1953 1.3957 -0.1770 C 0 0 0 0 0 6.9861 0.6382 -0.1042 O 0 0 0 0 0 7.0612 -0.5895 0.4673 C 0 0 0 0 0 8.2728 -1.0593 0.9495 C 0 0 0 0 0 8.3485 -2.3103 1.5317 C 0 0 0 0 0 10.0055 -2.9438 2.1864 BR 0 0 0 0 0 7.2167 -3.1035 1.6382 C 0 0 0 0 0 6.0046 -2.6510 1.1639 C 0 0 0 0 0 5.9136 -1.3863 0.5785 C 0 0 0 0 0 4.6191 -0.8967 0.0691 C 0 0 0 0 0 4.5435 0.2049 -0.4409 O 0 0 0 0 0 3.5194 -1.6704 0.1678 N 0 0 0 0 0 2.2335 -1.1836 -0.3379 C 0 0 0 0 0 1.1586 -2.2470 -0.1037 C 0 0 0 0 0 -0.1849 -1.7391 -0.6325 C 0 0 0 0 0 -1.2598 -2.8026 -0.3984 C 0 0 0 0 0 -3.6345 -3.3860 -0.8078 C 0 0 0 0 0 -3.4546 -4.5515 -1.4483 O 0 0 0 0 0 -4.6245 -3.2115 -0.1368 O 0 0 0 0 0 -3.0283 -1.1323 -0.1412 N 0 0 0 0 0 -4.2653 -0.3674 -1.8212 O 0 0 0 0 0 -4.2560 0.8446 0.0405 N 0 0 0 0 0 -4.3691 2.8395 -1.3371 C 0 0 0 0 0 -4.9961 3.8449 -1.9680 O 0 0 0 0 0 -8.4445 1.5665 3.1608 O 0 0 0 0 0 -5.8709 1.3294 -1.2070 H 0 0 0 0 0 -5.2213 2.9769 1.2773 H 0 0 0 0 0 -6.5390 3.3434 0.1381 H 0 0 0 0 0 -7.5409 1.1183 0.5816 H 0 0 0 0 0 -6.2233 0.7517 1.7208 H 0 0 0 0 0 -2.4962 -2.0061 -1.9721 H 0 0 0 0 0 5.4994 6.5295 -0.0024 H 0 0 0 0 0 4.7624 5.0300 0.6113 H 0 0 0 0 0 6.1666 5.7381 1.4463 H 0 0 0 0 0 7.4477 2.5742 -1.8179 H 0 0 0 0 0 8.9334 0.8468 -0.7609 H 0 0 0 0 0 8.5793 1.5639 0.8287 H 0 0 0 0 0 9.1593 -0.4472 0.8694 H 0 0 0 0 0 7.2854 -4.0790 2.0954 H 0 0 0 0 0 5.1247 -3.2711 1.2533 H 0 0 0 0 0 1.9598 -0.2679 0.1865 H 0 0 0 0 0 1.4324 -3.1627 -0.6281 H 0 0 0 0 0 1.0755 -2.4510 0.9640 H 0 0 0 0 0 -0.4587 -0.8235 -0.1081 H 0 0 0 0 0 -0.1018 -1.5350 -1.6993 H 0 0 0 0 0 -1.3429 -3.0056 0.6693 H 0 0 0 0 0 -0.9860 -3.7171 -0.9219 H 0 0 0 0 0 -4.1439 -5.2223 -1.3416 H 0 0 0 0 0 -2.7097 -1.0180 0.7670 H 0 0 0 0 0 -3.9363 0.9598 0.9486 H 0 0 0 0 0 -4.4434 4.4663 -2.4611 H 0 0 0 0 0 -8.9047 2.0624 3.8528 H 0 0 0 0 0 6.6970 3.1665 0.8396 H 0 0 0 0 0 8.8511 3.2834 -0.9830 H 0 0 0 0 0 3.5796 -2.5489 0.5745 H 0 0 0 0 0 2.3166 -0.9806 -1.4055 H 0 0 0 0 0 32 30 2 0 0 0 31 30 1 0 0 0 30 6 1 0 0 0 24 23 2 0 0 0 6 33 1 0 0 0 6 29 1 0 0 0 33 5 1 0 0 0 26 25 1 0 0 0 26 27 1 0 0 0 23 25 1 0 0 0 23 22 1 0 0 0 28 29 1 0 0 0 28 27 1 0 0 0 21 22 2 0 0 0 21 20 1 0 0 0 5 35 1 0 0 0 5 34 2 0 0 0 35 1 1 0 0 0 22 16 1 0 0 0 20 18 2 0 0 0 1 2 1 0 0 0 1 36 1 0 0 0 16 15 1 0 0 0 16 17 2 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 15 14 1 0 0 0 8 4 2 0 0 0 36 7 2 0 0 0 36 37 1 0 0 0 4 38 1 0 0 0 11 10 1 0 0 0 12 10 1 0 0 0 12 13 1 0 0 0 14 13 1 0 0 0 10 9 2 0 0 0 1 39 1 0 0 0 2 40 1 0 0 0 2 41 1 0 0 0 3 42 1 0 0 0 3 43 1 0 0 0 6 44 1 0 0 0 11 45 1 0 0 0 11 46 1 0 0 0 11 47 1 0 0 0 13 48 1 0 0 0 14 49 1 0 0 0 14 50 1 0 0 0 17 51 1 0 0 0 20 52 1 0 0 0 21 53 1 0 0 0 26 54 1 0 0 0 27 55 1 0 0 0 27 56 1 0 0 0 28 57 1 0 0 0 28 58 1 0 0 0 29 59 1 0 0 0 29 60 1 0 0 0 31 61 1 0 0 0 33 62 1 0 0 0 35 63 1 0 0 0 37 64 1 0 0 0 38 65 1 0 0 0 12 66 1 0 0 0 13 67 1 0 0 0 25 68 1 0 0 0 26 69 1 0 0 0 M END $$$$