JRR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 56 58 0 0 0 0 0 0 0 0999 V2000 -0.9935 2.7677 -1.0465 C 0 0 0 0 0 -0.0247 1.9372 -0.4026 O 0 0 0 0 0 -2.2053 1.9229 -1.4453 C 0 0 0 0 0 -2.8689 1.4169 -0.2363 N 0 0 0 0 0 -4.0398 0.6000 -0.5803 C 0 0 0 0 0 -4.7024 0.0923 0.7017 C 0 0 0 0 0 2.3415 2.9695 2.0665 N 0 0 0 0 0 -5.9038 -0.7468 0.3484 C 0 0 0 0 0 -7.1440 -0.1528 0.2095 C 0 0 0 0 0 -8.2469 -0.9243 -0.1159 C 0 0 0 0 0 -9.4597 -0.3450 -0.2512 F 0 0 0 0 0 -8.1065 -2.2887 -0.3023 C 0 0 0 0 0 -6.8643 -2.8796 -0.1633 C 0 0 0 0 0 -5.7626 -2.1087 0.1561 C 0 0 0 0 0 4.1590 -0.2855 -1.1912 N 0 0 0 0 0 0.9948 3.1380 1.4615 C 0 0 0 0 0 3.1363 -0.6335 -0.4351 C 0 0 0 0 0 1.1533 2.6323 0.0119 C 0 0 0 0 0 3.1590 -1.8082 0.2919 C 0 0 0 0 0 2.3572 1.6689 0.0531 C 0 0 0 0 0 4.2766 -2.6286 0.2212 C 0 0 0 0 0 2.8247 1.6742 1.5244 C 0 0 0 0 0 5.3336 -2.2380 -0.5802 C 0 0 0 0 0 5.2426 -1.0418 -1.2845 C 0 0 0 0 0 6.2980 -0.6365 -2.0937 N 0 0 0 0 0 1.9256 0.2616 -0.3631 C 0 0 0 0 0 4.3360 -3.9168 1.0009 C 0 0 0 0 0 -1.3092 3.5554 -0.3621 H 0 0 0 0 0 -0.5535 3.2157 -1.9377 H 0 0 0 0 0 -2.9042 2.5357 -2.0139 H 0 0 0 0 0 -1.8773 1.0836 -2.0577 H 0 0 0 0 0 -2.2235 0.8994 0.3416 H 0 0 0 0 0 -4.7514 1.2040 -1.1435 H 0 0 0 0 0 -3.7234 -0.2490 -1.1873 H 0 0 0 0 0 -3.9908 -0.5117 1.2648 H 0 0 0 0 0 -5.0178 0.9414 1.3077 H 0 0 0 0 0 2.9541 3.7250 1.7989 H 0 0 0 0 0 -7.2528 0.9115 0.3559 H 0 0 0 0 0 -8.9659 -2.8900 -0.5557 H 0 0 0 0 0 -6.7545 -3.9440 -0.3087 H 0 0 0 0 0 -4.7924 -2.5704 0.2601 H 0 0 0 0 0 0.2593 2.5369 1.9958 H 0 0 0 0 0 0.7026 4.1884 1.4700 H 0 0 0 0 0 1.3556 3.4663 -0.6598 H 0 0 0 0 0 2.3168 -2.0844 0.9085 H 0 0 0 0 0 3.1527 2.0299 -0.5993 H 0 0 0 0 0 3.9123 1.6219 1.5776 H 0 0 0 0 0 2.3767 0.8430 2.0685 H 0 0 0 0 0 6.2185 -2.8522 -0.6575 H 0 0 0 0 0 6.2395 0.1965 -2.5862 H 0 0 0 0 0 7.0933 -1.1872 -2.1657 H 0 0 0 0 0 1.4451 0.3022 -1.3400 H 0 0 0 0 0 1.2242 -0.1345 0.3704 H 0 0 0 0 0 3.9331 -4.7284 0.3953 H 0 0 0 0 0 5.3716 -4.1373 1.2604 H 0 0 0 0 0 3.7475 -3.8174 1.9132 H 0 0 0 0 0 3 1 1 0 0 0 1 2 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 2 18 1 0 0 0 3 4 1 0 0 0 3 30 1 0 0 0 3 31 1 0 0 0 5 4 1 0 0 0 4 32 1 0 0 0 5 6 1 0 0 0 5 33 1 0 0 0 5 34 1 0 0 0 8 6 1 0 0 0 6 35 1 0 0 0 6 36 1 0 0 0 16 7 1 0 0 0 22 7 1 0 0 0 7 37 1 0 0 0 9 8 2 0 0 0 8 14 1 0 0 0 10 9 1 0 0 0 9 38 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 12 13 1 0 0 0 12 39 1 0 0 0 13 14 2 0 0 0 13 40 1 0 0 0 14 41 1 0 0 0 17 15 2 0 0 0 15 24 1 0 0 0 18 16 1 0 0 0 16 42 1 0 0 0 16 43 1 0 0 0 26 17 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 44 1 0 0 0 19 21 2 0 0 0 19 45 1 0 0 0 26 20 1 0 0 0 20 22 1 0 0 0 20 46 1 0 0 0 21 23 1 0 0 0 21 27 1 0 0 0 22 47 1 0 0 0 22 48 1 0 0 0 24 23 2 0 0 0 23 49 1 0 0 0 25 24 1 0 0 0 25 50 1 0 0 0 25 51 1 0 0 0 26 52 1 0 0 0 26 53 1 0 0 0 27 54 1 0 0 0 27 55 1 0 0 0 27 56 1 0 0 0 M END $$$$