C3J Converted by convert_cif2sdf.py 2024/03/29 11:09:15 55 59 0 0 0 0 0 0 0 0999 V2000 2.2812 -0.2237 -2.9135 C 0 0 0 0 0 4.8449 0.4032 -0.4314 C 0 0 0 0 0 5.3985 0.9848 -1.5339 C 0 0 0 0 0 2.5265 -0.8363 -0.2043 C 0 0 0 0 0 3.4225 0.1676 -2.2202 C 0 0 0 0 0 3.5422 -0.1422 -0.8566 C 0 0 0 0 0 1.3930 -1.2088 -0.9065 C 0 0 0 0 0 1.2773 -0.9045 -2.2618 C 0 0 0 0 0 6.6373 0.8822 1.1525 N 0 0 0 0 0 5.4302 0.3329 0.9141 C 0 0 0 0 0 7.2216 0.8128 2.4950 C 0 0 0 0 0 0.5805 -3.2710 0.2303 C 0 0 0 0 0 -0.6461 -4.1052 -0.1604 C 0 0 0 0 0 -1.8752 -3.5410 0.5527 C 0 0 0 0 0 -1.9826 -2.0561 0.3240 C 0 0 0 0 0 -0.8841 -1.3006 -0.0604 C 0 0 0 0 0 -1.0124 0.0706 -0.2595 C 0 0 0 0 0 -2.2324 0.6864 -0.0795 C 0 0 0 0 0 -3.3390 -0.0699 0.3023 C 0 0 0 0 0 -3.2077 -1.4410 0.5032 C 0 0 0 0 0 -4.6564 0.5869 0.4962 C 0 0 0 0 0 -4.9059 1.7403 1.2654 C 0 0 0 0 0 -5.8437 0.1868 -0.0421 C 0 0 0 0 0 -8.2170 0.9923 0.0343 C 0 0 0 0 0 -2.3685 2.1710 -0.2962 C 0 0 0 0 0 -1.4488 2.5881 -1.2636 F 0 0 0 0 0 -3.6662 2.4622 -0.7300 F 0 0 0 0 0 0.3653 -1.9014 -0.2569 N 0 0 0 0 0 -6.1830 2.0099 1.1913 N 0 0 0 0 0 -6.7934 1.0488 0.3763 N 0 0 0 0 0 4.5651 0.8493 -2.5917 N 0 0 0 0 0 4.8241 -0.2196 1.8130 O 0 0 0 0 0 2.1796 0.0115 -3.9629 H 0 0 0 0 0 6.3581 1.4795 -1.5583 H 0 0 0 0 0 2.6178 -1.0760 0.8449 H 0 0 0 0 0 0.3899 -1.1981 -2.8027 H 0 0 0 0 0 7.1200 1.3222 0.4364 H 0 0 0 0 0 8.1928 1.3059 2.4944 H 0 0 0 0 0 6.5606 1.3103 3.2041 H 0 0 0 0 0 7.3438 -0.2314 2.7833 H 0 0 0 0 0 0.6915 -3.2643 1.3146 H 0 0 0 0 0 1.4750 -3.6902 -0.2297 H 0 0 0 0 0 -0.7946 -4.0540 -1.2394 H 0 0 0 0 0 -0.4940 -5.1420 0.1393 H 0 0 0 0 0 -2.7705 -4.0304 0.1687 H 0 0 0 0 0 -1.7905 -3.7353 1.6223 H 0 0 0 0 0 -0.1530 0.6542 -0.5563 H 0 0 0 0 0 -4.0662 -2.0259 0.7991 H 0 0 0 0 0 -4.1705 2.3041 1.8204 H 0 0 0 0 0 -5.9965 -0.6654 -0.6878 H 0 0 0 0 0 -8.7439 0.3868 0.7724 H 0 0 0 0 0 -8.6296 2.0005 0.0284 H 0 0 0 0 0 -8.3351 0.5451 -0.9531 H 0 0 0 0 0 -2.1733 2.6938 0.6408 H 0 0 0 0 0 4.7436 1.1842 -3.4848 H 0 0 0 0 0 13 12 1 0 0 0 13 14 1 0 0 0 12 28 1 0 0 0 14 15 1 0 0 0 28 7 1 0 0 0 28 16 1 0 0 0 7 8 1 0 0 0 7 4 2 0 0 0 8 1 2 0 0 0 1 5 1 0 0 0 4 6 1 0 0 0 5 6 2 0 0 0 5 31 1 0 0 0 6 2 1 0 0 0 31 3 1 0 0 0 2 3 2 0 0 0 2 10 1 0 0 0 10 9 1 0 0 0 10 32 2 0 0 0 9 11 1 0 0 0 15 16 2 0 0 0 15 20 1 0 0 0 16 17 1 0 0 0 20 19 2 0 0 0 17 18 2 0 0 0 19 18 1 0 0 0 19 21 1 0 0 0 18 25 1 0 0 0 23 21 2 0 0 0 23 30 1 0 0 0 21 22 1 0 0 0 27 25 1 0 0 0 25 26 1 0 0 0 30 24 1 0 0 0 30 29 1 0 0 0 22 29 2 0 0 0 1 33 1 0 0 0 3 34 1 0 0 0 4 35 1 0 0 0 8 36 1 0 0 0 9 37 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 11 40 1 0 0 0 12 41 1 0 0 0 12 42 1 0 0 0 13 43 1 0 0 0 13 44 1 0 0 0 14 45 1 0 0 0 14 46 1 0 0 0 17 47 1 0 0 0 20 48 1 0 0 0 22 49 1 0 0 0 23 50 1 0 0 0 24 51 1 0 0 0 24 52 1 0 0 0 24 53 1 0 0 0 25 54 1 0 0 0 31 55 1 0 0 0 M END $$$$