JUM Converted by convert_cif2sdf.py 2024/03/29 11:09:15 38 41 0 0 0 0 0 0 0 0999 V2000 0.3549 0.5626 0.1801 C 0 0 0 0 0 4.9730 -0.1219 -0.4619 C 0 0 0 0 0 3.3225 1.7468 -0.1482 C 0 0 0 0 0 2.6641 2.3370 0.8920 C 0 0 0 0 0 3.6258 2.7541 -1.0851 C 0 0 0 0 0 -3.3654 0.3199 -0.7549 C 0 0 0 0 0 -1.9417 0.8049 -0.6536 C 0 0 0 0 0 -1.4268 -1.1304 0.7627 C 0 0 0 0 0 -0.6603 -2.3089 0.1500 C 0 0 0 0 0 0.7932 -1.9213 -0.0116 C 0 0 0 0 0 1.2411 -0.6463 -0.0011 C 0 0 0 0 0 2.6739 -0.6939 -0.1912 C 0 0 0 0 0 3.6613 0.3081 -0.2675 C 0 0 0 0 0 5.2914 -1.4641 -0.5743 C 0 0 0 0 0 4.3311 -2.4629 -0.5000 C 0 0 0 0 0 3.0086 -2.0653 -0.3062 C 0 0 0 0 0 -1.0421 0.1069 0.0673 N 0 0 0 0 0 1.8489 -2.7778 -0.1911 N 0 0 0 0 0 2.5627 3.6535 0.6166 N 0 0 0 0 0 3.1699 3.8884 -0.6225 N 0 0 0 0 0 -4.1189 1.2230 -1.5669 O 0 0 0 0 0 -1.6063 1.8225 -1.2211 O 0 0 0 0 0 6.9503 -1.9140 -0.8154 CL 0 0 0 0 0 4.7599 -4.1388 -0.6439 CL 0 0 0 0 0 0.5230 1.0011 1.1627 H 0 0 0 0 0 0.5687 1.2977 -0.5959 H 0 0 0 0 0 5.7626 0.6122 -0.5273 H 0 0 0 0 0 2.2924 1.8399 1.7757 H 0 0 0 0 0 4.1456 2.6141 -2.0214 H 0 0 0 0 0 -3.3803 -0.6720 -1.2053 H 0 0 0 0 0 -3.8053 0.2737 0.2417 H 0 0 0 0 0 -2.4987 -1.2941 0.6493 H 0 0 0 0 0 -1.1808 -1.0446 1.8213 H 0 0 0 0 0 -0.7354 -3.1739 0.8084 H 0 0 0 0 0 -1.0845 -2.5532 -0.8236 H 0 0 0 0 0 1.7817 -3.7449 -0.2299 H 0 0 0 0 0 2.1416 4.3215 1.1790 H 0 0 0 0 0 -5.0468 0.9723 -1.6761 H 0 0 0 0 0 21 6 1 0 0 0 24 15 1 0 0 0 23 14 1 0 0 0 15 14 2 0 0 0 15 16 1 0 0 0 18 16 1 0 0 0 18 10 1 0 0 0 14 2 1 0 0 0 6 7 1 0 0 0 16 12 2 0 0 0 22 7 2 0 0 0 10 9 1 0 0 0 10 11 2 0 0 0 9 8 1 0 0 0 7 17 1 0 0 0 2 13 2 0 0 0 12 11 1 0 0 0 12 13 1 0 0 0 11 1 1 0 0 0 13 3 1 0 0 0 5 3 1 0 0 0 5 20 2 0 0 0 17 1 1 0 0 0 17 8 1 0 0 0 3 4 2 0 0 0 20 19 1 0 0 0 4 19 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 27 1 0 0 0 4 28 1 0 0 0 5 29 1 0 0 0 6 30 1 0 0 0 6 31 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 9 34 1 0 0 0 9 35 1 0 0 0 18 36 1 0 0 0 19 37 1 0 0 0 21 38 1 0 0 0 M END $$$$