0YB Converted by convert_cif2sdf.py 2024/03/29 11:09:15 72 75 0 0 0 0 0 0 0 0999 V2000 3.5452 -2.7247 2.8015 C 0 0 0 0 0 1.3491 0.3140 -2.8969 C 0 0 0 0 0 1.3185 1.3980 -2.0463 C 0 0 0 0 0 3.4410 -2.5949 1.4307 C 0 0 0 0 0 2.4050 -2.7515 3.5839 C 0 0 0 0 0 1.7957 -0.0267 -0.1737 C 0 0 0 0 0 1.0479 -2.5175 1.6238 C 0 0 0 0 0 1.6051 -0.9625 -2.3893 C 0 0 0 0 0 1.5407 1.2290 -0.6894 C 0 0 0 0 0 2.1902 -2.4906 0.8372 C 0 0 0 0 0 1.8355 -1.1284 -1.0161 C 0 0 0 0 0 1.1575 -2.6475 2.9956 C 0 0 0 0 0 -4.1858 1.3387 -0.5004 C 0 0 0 0 0 -5.1425 0.4134 -0.2709 C 0 0 0 0 0 -5.2016 -0.2159 0.9956 C 0 0 0 0 0 -3.3625 1.0469 1.6889 C 0 0 0 0 0 1.6346 -2.1267 -3.2919 C 0 0 0 0 0 -1.2902 4.8247 1.0001 C 0 0 0 0 0 -2.4141 3.8099 1.2264 C 0 0 0 0 0 0.0615 4.1270 1.1639 C 0 0 0 0 0 -0.8731 2.0170 0.4248 C 0 0 0 0 0 -2.2531 2.6516 0.2383 C 0 0 0 0 0 -6.1330 0.0563 -1.3482 C 0 0 0 0 0 4.9791 3.9961 -0.2854 C 0 0 0 0 0 4.2044 1.6809 -0.8153 C 0 0 0 0 0 4.0664 2.5388 1.5269 C 0 0 0 0 0 2.5408 3.4509 -0.2294 C 0 0 0 0 0 1.5054 2.4229 0.2292 C 0 0 0 0 0 3.9478 2.9168 0.0485 C 0 0 0 0 0 -4.3048 0.1207 1.9449 N 0 0 0 0 0 -3.2908 1.6478 0.4876 N 0 0 0 0 0 0.1667 3.0272 0.1962 N 0 0 0 0 0 -6.0552 -1.0531 1.2269 O 0 0 0 0 0 -2.5632 1.3442 2.5562 O 0 0 0 0 0 1.8575 -3.2348 -2.8471 O 0 0 0 0 0 1.4117 -1.9624 -4.6110 O 0 0 0 0 0 2.0860 -2.3618 -0.5114 O 0 0 0 0 0 -0.3989 -2.6849 4.0682 BR 0 0 0 0 0 4.5183 -2.8100 3.2625 H 0 0 0 0 0 1.1706 0.4503 -3.9534 H 0 0 0 0 0 1.1193 2.3839 -2.4393 H 0 0 0 0 0 4.3321 -2.5738 0.8202 H 0 0 0 0 0 2.4893 -2.8539 4.6559 H 0 0 0 0 0 1.9721 -0.1498 0.8838 H 0 0 0 0 0 0.0739 -2.4361 1.1641 H 0 0 0 0 0 -4.1256 1.8296 -1.4608 H 0 0 0 0 0 -1.3689 5.2343 -0.0071 H 0 0 0 0 0 -1.3743 5.6313 1.7281 H 0 0 0 0 0 -2.3594 3.4283 2.2472 H 0 0 0 0 0 -3.3784 4.2925 1.0684 H 0 0 0 0 0 0.8637 4.8429 0.9883 H 0 0 0 0 0 0.1448 3.7292 2.1748 H 0 0 0 0 0 -0.7862 1.6288 1.4397 H 0 0 0 0 0 -0.7499 1.2007 -0.2874 H 0 0 0 0 0 -2.3476 3.0269 -0.7799 H 0 0 0 0 0 -5.7396 -0.7666 -1.9454 H 0 0 0 0 0 -7.0755 -0.2446 -0.8906 H 0 0 0 0 0 -6.3013 0.9220 -1.9897 H 0 0 0 0 0 4.8942 4.2660 -1.3385 H 0 0 0 0 0 4.7960 4.8770 0.3307 H 0 0 0 0 0 5.9811 3.6160 -0.0880 H 0 0 0 0 0 3.8651 1.8729 -1.8336 H 0 0 0 0 0 5.2709 1.4586 -0.8237 H 0 0 0 0 0 3.6591 0.8306 -0.4057 H 0 0 0 0 0 5.0976 2.2640 1.7500 H 0 0 0 0 0 3.7756 3.3892 2.1434 H 0 0 0 0 0 3.4107 1.6940 1.7398 H 0 0 0 0 0 2.4256 3.6305 -1.2979 H 0 0 0 0 0 2.3928 4.3837 0.3137 H 0 0 0 0 0 1.7346 2.1044 1.2467 H 0 0 0 0 0 -4.3418 -0.3028 2.8166 H 0 0 0 0 0 1.4408 -2.7558 -5.1633 H 0 0 0 0 0 19 18 1 0 0 0 19 22 1 0 0 0 18 20 1 0 0 0 30 16 1 0 0 0 30 15 1 0 0 0 34 16 2 0 0 0 16 31 1 0 0 0 22 31 1 0 0 0 22 21 1 0 0 0 31 13 1 0 0 0 33 15 2 0 0 0 15 14 1 0 0 0 13 14 2 0 0 0 14 23 1 0 0 0 20 32 1 0 0 0 32 21 1 0 0 0 32 28 1 0 0 0 28 27 1 0 0 0 28 9 1 0 0 0 27 29 1 0 0 0 3 9 2 0 0 0 3 2 1 0 0 0 9 6 1 0 0 0 25 29 1 0 0 0 1 4 2 0 0 0 1 5 1 0 0 0 2 8 2 0 0 0 6 11 2 0 0 0 4 10 1 0 0 0 29 24 1 0 0 0 29 26 1 0 0 0 5 12 2 0 0 0 8 11 1 0 0 0 8 17 1 0 0 0 11 37 1 0 0 0 10 37 1 0 0 0 10 7 2 0 0 0 17 35 2 0 0 0 17 36 1 0 0 0 12 7 1 0 0 0 12 38 1 0 0 0 1 39 1 0 0 0 2 40 1 0 0 0 3 41 1 0 0 0 4 42 1 0 0 0 5 43 1 0 0 0 6 44 1 0 0 0 7 45 1 0 0 0 13 46 1 0 0 0 18 47 1 0 0 0 18 48 1 0 0 0 19 49 1 0 0 0 19 50 1 0 0 0 20 51 1 0 0 0 20 52 1 0 0 0 21 53 1 0 0 0 21 54 1 0 0 0 22 55 1 0 0 0 23 56 1 0 0 0 23 57 1 0 0 0 23 58 1 0 0 0 24 59 1 0 0 0 24 60 1 0 0 0 24 61 1 0 0 0 25 62 1 0 0 0 25 63 1 0 0 0 25 64 1 0 0 0 26 65 1 0 0 0 26 66 1 0 0 0 26 67 1 0 0 0 27 68 1 0 0 0 27 69 1 0 0 0 28 70 1 0 0 0 30 71 1 0 0 0 36 72 1 0 0 0 M END $$$$