95Y Converted by convert_cif2sdf.py 2024/03/29 11:09:15 53 55 0 0 0 0 0 0 0 0999 V2000 2.7916 0.9945 -0.2078 C 0 0 0 0 0 0.3051 -2.0525 0.7542 C 0 0 0 0 0 2.2837 -1.2592 -0.2936 C 0 0 0 0 0 -3.8364 -2.0761 -0.0470 C 0 0 0 0 0 -4.1154 0.1758 -0.3677 C 0 0 0 0 0 -2.9364 -1.6728 0.8516 C 0 0 0 0 0 3.3951 -1.5172 -1.0848 C 0 0 0 0 0 3.9192 0.8072 -0.9980 C 0 0 0 0 0 -4.4844 -1.0561 -0.7215 C 0 0 0 0 0 4.2276 -0.4687 -1.4453 C 0 0 0 0 0 -4.6689 1.4497 -0.9516 C 0 0 0 0 0 1.2437 2.2513 1.0499 C 0 0 0 0 0 2.3364 3.2067 -0.8861 C 0 0 0 0 0 -5.5296 -1.3180 -1.7752 C 0 0 0 0 0 2.0426 4.6083 -0.3457 C 0 0 0 0 0 0.9609 3.6622 1.5714 C 0 0 0 0 0 -5.8837 1.8981 -0.1363 C 0 0 0 0 0 -7.5522 3.6139 0.0019 C 0 0 0 0 0 1.4402 -2.3068 0.0731 N 0 0 0 0 0 2.4700 2.2706 0.2400 N 0 0 0 0 0 -0.5606 -3.0502 1.0183 N 0 0 0 0 0 2.0163 -0.0285 0.1169 N 0 0 0 0 0 -1.5765 -1.9780 2.9953 O 0 0 0 0 0 -2.6574 -3.9692 1.9390 O 0 0 0 0 0 0.0626 -0.9213 1.1288 O 0 0 0 0 0 0.8644 4.5634 0.4645 O 0 0 0 0 0 -6.4092 3.1065 -0.6895 O 0 0 0 0 0 -1.9548 -2.7376 1.8551 S 0 0 0 0 0 -2.8801 0.0855 0.8810 S 0 0 0 0 0 5.7529 -0.7719 -2.5209 BR 0 0 0 0 0 -4.0409 -3.1197 -0.2364 H 0 0 0 0 0 3.6078 -2.5227 -1.4169 H 0 0 0 0 0 4.5486 1.6444 -1.2615 H 0 0 0 0 0 -3.9037 2.2266 -0.9205 H 0 0 0 0 0 -4.9687 1.2760 -1.9851 H 0 0 0 0 0 1.3744 1.5719 1.8923 H 0 0 0 0 0 0.4081 1.9145 0.4369 H 0 0 0 0 0 1.5176 2.8854 -1.5306 H 0 0 0 0 0 3.2644 3.2230 -1.4577 H 0 0 0 0 0 -5.0509 -1.3923 -2.7514 H 0 0 0 0 0 -6.0459 -2.2510 -1.5514 H 0 0 0 0 0 -6.2492 -0.4985 -1.7853 H 0 0 0 0 0 2.8844 4.9505 0.2561 H 0 0 0 0 0 1.8867 5.2946 -1.1778 H 0 0 0 0 0 0.0219 3.6646 2.1249 H 0 0 0 0 0 1.7717 3.9774 2.2286 H 0 0 0 0 0 -6.6477 1.1222 -0.1667 H 0 0 0 0 0 -5.5839 2.0717 0.8972 H 0 0 0 0 0 -8.3510 2.8732 -0.0256 H 0 0 0 0 0 -7.2862 3.8227 1.0381 H 0 0 0 0 0 -7.8900 4.5320 -0.4791 H 0 0 0 0 0 1.6700 -3.2195 -0.1625 H 0 0 0 0 0 -0.3663 -3.9527 0.7192 H 0 0 0 0 0 26 15 1 0 0 0 26 16 1 0 0 0 15 13 1 0 0 0 16 12 1 0 0 0 13 20 1 0 0 0 12 20 1 0 0 0 20 1 1 0 0 0 1 22 2 0 0 0 1 8 1 0 0 0 22 3 1 0 0 0 8 10 2 0 0 0 3 19 1 0 0 0 3 7 2 0 0 0 19 2 1 0 0 0 17 11 1 0 0 0 17 27 1 0 0 0 29 5 1 0 0 0 29 6 1 0 0 0 10 7 1 0 0 0 10 30 1 0 0 0 11 5 1 0 0 0 21 2 1 0 0 0 21 28 1 0 0 0 2 25 2 0 0 0 23 28 2 0 0 0 5 9 2 0 0 0 27 18 1 0 0 0 6 28 1 0 0 0 6 4 2 0 0 0 28 24 2 0 0 0 9 4 1 0 0 0 9 14 1 0 0 0 4 31 1 0 0 0 7 32 1 0 0 0 8 33 1 0 0 0 11 34 1 0 0 0 11 35 1 0 0 0 12 36 1 0 0 0 12 37 1 0 0 0 13 38 1 0 0 0 13 39 1 0 0 0 14 40 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 15 43 1 0 0 0 15 44 1 0 0 0 16 45 1 0 0 0 16 46 1 0 0 0 17 47 1 0 0 0 17 48 1 0 0 0 18 49 1 0 0 0 18 50 1 0 0 0 18 51 1 0 0 0 19 52 1 0 0 0 21 53 1 0 0 0 M END $$$$