J4V Converted by convert_cif2sdf.py 2024/03/29 11:09:15 58 62 0 0 0 0 0 0 0 0999 V2000 3.1987 -0.2401 -1.2027 C 0 0 0 0 0 3.1811 -0.4128 0.3178 C 0 0 0 0 0 4.2408 0.4936 0.9462 C 0 0 0 0 0 3.9395 1.9514 0.5950 C 0 0 0 0 0 2.5590 2.3312 1.1338 C 0 0 0 0 0 3.9571 2.1241 -0.9254 C 0 0 0 0 0 2.8974 1.2176 -1.5549 C 0 0 0 0 0 1.5169 1.5975 -1.0151 C 0 0 0 0 0 1.4983 1.4250 0.5053 C 0 0 0 0 0 1.8006 -0.0329 0.8575 C 0 0 0 0 0 0.7560 -0.9257 0.2381 C 0 0 0 0 0 1.0831 -1.7814 -0.5572 O 0 0 0 0 0 -0.5423 -0.7730 0.5675 N 0 0 0 0 0 -1.5571 -1.6406 -0.0348 C 0 0 0 0 0 -1.6565 -2.9206 0.7548 C 0 0 0 0 0 -0.9494 -3.0904 1.7246 O 0 0 0 0 0 -2.5323 -3.8753 0.3830 N 0 0 0 0 0 -2.6259 -5.0776 1.1249 O 0 0 0 0 0 -2.8905 -0.9381 -0.0218 C 0 0 0 0 0 -3.7355 -1.0434 -1.1128 C 0 0 0 0 0 -4.9575 -0.4015 -1.1067 C 0 0 0 0 0 -3.2671 -0.1945 1.0815 C 0 0 0 0 0 -4.4865 0.4518 1.0983 C 0 0 0 0 0 -5.3394 0.3542 0.0007 C 0 0 0 0 0 -6.6511 1.0464 0.0124 C 0 0 0 0 0 -7.0322 1.8010 1.1200 C 0 0 0 0 0 -8.2551 2.4442 1.1279 C 0 0 0 0 0 -8.6260 3.1765 2.2009 F 0 0 0 0 0 -9.1029 2.3401 0.0349 C 0 0 0 0 0 -10.2974 2.9701 0.0457 F 0 0 0 0 0 -8.7273 1.5896 -1.0689 C 0 0 0 0 0 -9.5556 1.4899 -2.1312 F 0 0 0 0 0 -7.5032 0.9476 -1.0860 C 0 0 0 0 0 4.1827 -0.5110 -1.5868 H 0 0 0 0 0 2.4432 -0.8857 -1.6503 H 0 0 0 0 0 3.3958 -1.4515 0.5677 H 0 0 0 0 0 4.2281 0.3714 2.0289 H 0 0 0 0 0 5.2247 0.2226 0.5621 H 0 0 0 0 0 4.6950 2.5970 1.0426 H 0 0 0 0 0 2.5453 2.2093 2.2174 H 0 0 0 0 0 2.3442 3.3699 0.8838 H 0 0 0 0 0 3.7424 3.1627 -1.1764 H 0 0 0 0 0 4.9411 1.8531 -1.3106 H 0 0 0 0 0 2.9102 1.3408 -2.6376 H 0 0 0 0 0 1.3022 2.6362 -1.2651 H 0 0 0 0 0 0.7614 0.9519 -1.4627 H 0 0 0 0 0 0.5153 1.6958 0.8895 H 0 0 0 0 0 1.7868 -0.1559 1.9403 H 0 0 0 0 0 -0.8037 -0.0888 1.2025 H 0 0 0 0 0 -1.2765 -1.8697 -1.0627 H 0 0 0 0 0 -3.0983 -3.7389 -0.3933 H 0 0 0 0 0 -3.2799 -5.7013 0.7827 H 0 0 0 0 0 -3.4384 -1.6284 -1.9696 H 0 0 0 0 0 -5.6160 -0.4838 -1.9582 H 0 0 0 0 0 -2.6057 -0.1198 1.9325 H 0 0 0 0 0 -4.7794 1.0316 1.9615 H 0 0 0 0 0 -6.3728 1.8822 1.9715 H 0 0 0 0 0 -7.2084 0.3676 -1.9482 H 0 0 0 0 0 18 17 1 0 0 0 1 2 1 0 0 0 1 7 1 0 0 0 17 15 1 0 0 0 16 15 2 0 0 0 2 3 1 0 0 0 2 10 1 0 0 0 3 4 1 0 0 0 6 7 1 0 0 0 6 4 1 0 0 0 7 8 1 0 0 0 15 14 1 0 0 0 4 5 1 0 0 0 12 11 2 0 0 0 11 10 1 0 0 0 11 13 1 0 0 0 10 9 1 0 0 0 13 14 1 0 0 0 14 19 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 19 20 2 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 22 23 2 0 0 0 21 24 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 33 1 0 0 0 26 27 1 0 0 0 33 31 2 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 31 29 1 0 0 0 31 32 1 0 0 0 29 30 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 2 36 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 4 39 1 0 0 0 5 40 1 0 0 0 5 41 1 0 0 0 6 42 1 0 0 0 6 43 1 0 0 0 7 44 1 0 0 0 8 45 1 0 0 0 8 46 1 0 0 0 9 47 1 0 0 0 10 48 1 0 0 0 13 49 1 0 0 0 14 50 1 0 0 0 17 51 1 0 0 0 18 52 1 0 0 0 20 53 1 0 0 0 21 54 1 0 0 0 22 55 1 0 0 0 23 56 1 0 0 0 26 57 1 0 0 0 33 58 1 0 0 0 M END $$$$