JTU Converted by convert_cif2sdf.py 2024/03/29 11:09:15 45 47 0 0 0 0 0 0 0 0999 V2000 -4.1176 0.2774 -0.8962 C 0 0 0 0 0 -2.6002 0.1037 -0.9908 C 0 0 0 0 0 -2.0005 0.0834 0.4169 C 0 0 0 0 0 -2.5041 -1.1515 1.1676 C 0 0 0 0 0 -0.4974 0.0350 0.3220 C 0 0 0 0 0 0.2608 1.0498 0.8775 C 0 0 0 0 0 1.6374 1.0116 0.7934 C 0 0 0 0 0 0.1192 -1.0267 -0.3164 C 0 0 0 0 0 1.4956 -1.0751 -0.4072 C 0 0 0 0 0 2.2646 -0.0525 0.1468 C 0 0 0 0 0 3.7436 -0.1002 0.0524 C 0 0 0 0 0 4.3465 -1.2677 0.1110 N 0 0 0 0 0 5.6725 -1.3917 0.0337 C 0 0 0 0 0 6.2890 -2.6550 0.0989 C 0 0 0 0 0 7.6444 -2.7492 0.0159 C 0 0 0 0 0 8.4371 -1.6121 -0.1326 C 0 0 0 0 0 10.3168 -1.7919 -0.2430 BR 0 0 0 0 0 7.8735 -0.3707 -0.1994 C 0 0 0 0 0 6.4840 -0.2386 -0.1187 C 0 0 0 0 0 5.8353 1.0715 -0.1855 C 0 0 0 0 0 6.6242 2.3124 -0.3429 C 0 0 0 0 0 6.8771 2.7328 -1.4535 O 0 0 0 0 0 7.0600 2.9751 0.7444 O 0 0 0 0 0 4.4498 1.1025 -0.1019 C 0 0 0 0 0 3.7128 2.4143 -0.1705 C 0 0 0 0 0 -4.5452 0.2919 -1.8987 H 0 0 0 0 0 -4.5442 -0.5513 -0.3316 H 0 0 0 0 0 -4.3451 1.2166 -0.3910 H 0 0 0 0 0 -2.3737 -0.8354 -1.4960 H 0 0 0 0 0 -2.1736 0.9324 -1.5554 H 0 0 0 0 0 -2.3021 0.9824 0.9532 H 0 0 0 0 0 -3.5906 -1.1165 1.2366 H 0 0 0 0 0 -2.2025 -2.0505 0.6313 H 0 0 0 0 0 -2.0765 -1.1660 2.1702 H 0 0 0 0 0 -0.2260 1.8743 1.3775 H 0 0 0 0 0 2.2285 1.8042 1.2275 H 0 0 0 0 0 -0.4777 -1.8185 -0.7444 H 0 0 0 0 0 1.9758 -1.9049 -0.9049 H 0 0 0 0 0 5.6899 -3.5458 0.2142 H 0 0 0 0 0 8.1127 -3.7210 0.0671 H 0 0 0 0 0 8.4979 0.5032 -0.3139 H 0 0 0 0 0 7.5716 3.7816 0.5917 H 0 0 0 0 0 3.6025 2.8223 0.8349 H 0 0 0 0 0 4.2751 3.1157 -0.7867 H 0 0 0 0 0 2.7267 2.2548 -0.6076 H 0 0 0 0 0 1 2 1 0 0 0 14 15 2 0 0 0 14 13 1 0 0 0 15 16 1 0 0 0 2 3 1 0 0 0 8 9 2 0 0 0 8 5 1 0 0 0 9 10 1 0 0 0 3 5 1 0 0 0 3 4 1 0 0 0 12 13 2 0 0 0 12 11 1 0 0 0 13 19 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 5 6 2 0 0 0 10 11 1 0 0 0 10 7 2 0 0 0 11 24 2 0 0 0 6 7 1 0 0 0 19 18 1 0 0 0 19 20 2 0 0 0 24 20 1 0 0 0 24 25 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 3 31 1 0 0 0 4 32 1 0 0 0 4 33 1 0 0 0 4 34 1 0 0 0 6 35 1 0 0 0 7 36 1 0 0 0 8 37 1 0 0 0 9 38 1 0 0 0 14 39 1 0 0 0 15 40 1 0 0 0 18 41 1 0 0 0 23 42 1 0 0 0 25 43 1 0 0 0 25 44 1 0 0 0 25 45 1 0 0 0 M END $$$$