J56 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 46 0 0 0 0 0 0 0 0999 V2000 3.4113 1.1232 1.6778 O 0 0 0 0 0 3.5597 0.6253 0.5815 C 0 0 0 0 0 3.2369 1.3228 -0.5249 N 0 0 0 0 0 2.6342 2.5749 -0.4077 C 0 0 0 0 0 2.4793 3.1194 0.7892 N 0 0 0 0 0 2.2061 3.2430 -1.5502 C 0 0 0 0 0 1.6090 4.4850 -1.4205 C 0 0 0 0 0 1.4609 5.0182 -0.1476 C 0 0 0 0 0 1.9138 4.3020 0.9439 C 0 0 0 0 0 1.7158 5.0212 2.6810 BR 0 0 0 0 0 4.1102 -0.7721 0.4573 C 0 0 0 0 0 3.1028 -1.6824 -0.1209 N 0 0 0 0 0 3.6289 -2.6932 -1.0261 C 0 0 0 0 0 5.1586 -2.5923 -1.2252 C 0 0 0 0 0 5.4667 -0.8309 -0.7869 S 0 0 0 0 0 1.7904 -1.5854 0.1686 C 0 0 0 0 0 1.3992 -0.7258 0.9306 O 0 0 0 0 0 0.8082 -2.5452 -0.4526 C 0 0 0 0 0 -0.5436 -2.2330 0.0178 N 0 0 0 0 0 -1.4157 -1.3650 -0.5860 C 0 0 0 0 0 -1.3463 -0.5630 -1.7225 C 0 0 0 0 0 -2.4144 0.2131 -2.0727 C 0 0 0 0 0 -3.5746 0.2143 -1.3080 C 0 0 0 0 0 -3.6707 -0.5612 -0.1901 C 0 0 0 0 0 -2.5900 -1.3659 0.1898 C 0 0 0 0 0 -2.3536 -2.2916 1.2920 C 0 0 0 0 0 -1.1541 -2.7784 1.1525 N 0 0 0 0 0 3.4237 0.9554 -1.4028 H 0 0 0 0 0 2.3384 2.7981 -2.5249 H 0 0 0 0 0 1.2675 5.0260 -2.2906 H 0 0 0 0 0 0.9993 5.9851 -0.0124 H 0 0 0 0 0 4.4561 -1.1374 1.4241 H 0 0 0 0 0 3.3913 -3.6791 -0.6269 H 0 0 0 0 0 3.1418 -2.5841 -1.9946 H 0 0 0 0 0 5.6864 -3.2632 -0.5470 H 0 0 0 0 0 5.4329 -2.7926 -2.2606 H 0 0 0 0 0 0.8457 -2.4503 -1.5382 H 0 0 0 0 0 1.0659 -3.5641 -0.1676 H 0 0 0 0 0 -0.4500 -0.5545 -2.3256 H 0 0 0 0 0 -2.3554 0.8337 -2.9546 H 0 0 0 0 0 -4.4074 0.8361 -1.6015 H 0 0 0 0 0 -4.5763 -0.5538 0.3993 H 0 0 0 0 0 -3.0501 -2.5335 2.0816 H 0 0 0 0 0 23 24 2 0 0 0 23 22 1 0 0 0 24 25 1 0 0 0 10 9 1 0 0 0 22 21 2 0 0 0 25 26 1 0 0 0 25 20 2 0 0 0 8 9 2 0 0 0 8 7 1 0 0 0 26 27 2 0 0 0 9 5 1 0 0 0 7 6 2 0 0 0 21 20 1 0 0 0 20 19 1 0 0 0 5 4 2 0 0 0 27 19 1 0 0 0 6 4 1 0 0 0 19 18 1 0 0 0 4 3 1 0 0 0 17 16 2 0 0 0 18 16 1 0 0 0 3 2 1 0 0 0 16 12 1 0 0 0 1 2 2 0 0 0 2 11 1 0 0 0 12 11 1 0 0 0 12 13 1 0 0 0 11 15 1 0 0 0 13 14 1 0 0 0 15 14 1 0 0 0 3 28 1 0 0 0 6 29 1 0 0 0 7 30 1 0 0 0 8 31 1 0 0 0 11 32 1 0 0 0 13 33 1 0 0 0 13 34 1 0 0 0 14 35 1 0 0 0 14 36 1 0 0 0 18 37 1 0 0 0 18 38 1 0 0 0 21 39 1 0 0 0 22 40 1 0 0 0 23 41 1 0 0 0 24 42 1 0 0 0 26 43 1 0 0 0 M END $$$$