95K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 55 57 0 0 0 0 0 0 0 0999 V2000 6.7071 4.8390 0.8861 BR 0 0 0 0 0 5.9285 3.1623 0.4858 C 0 0 0 0 0 5.9617 2.1437 1.4208 C 0 0 0 0 0 5.3932 0.9180 1.1278 C 0 0 0 0 0 4.7911 0.7117 -0.0990 C 0 0 0 0 0 4.7570 1.7297 -1.0330 C 0 0 0 0 0 5.3211 2.9576 -0.7387 C 0 0 0 0 0 4.1715 -0.6244 -0.4186 C 0 0 0 0 0 2.7030 -0.6224 0.0143 C 0 0 0 0 0 2.0990 -1.9243 -0.2963 N 0 0 0 0 0 2.7015 -2.9915 0.5141 C 0 0 0 0 0 2.2332 -4.3522 -0.0051 C 0 0 0 0 0 2.7692 -4.5689 -1.4223 C 0 0 0 0 0 2.7592 -5.4574 0.9139 C 0 0 0 0 0 0.6423 -1.8852 -0.1162 C 0 0 0 0 0 0.3141 -1.3748 1.2887 C 0 0 0 0 0 -1.2059 -1.2782 1.4495 C 0 0 0 0 0 -1.7481 -0.3632 0.4372 N 0 0 0 0 0 -1.4865 -0.8568 -0.9204 C 0 0 0 0 0 0.0236 -0.9408 -1.1512 C 0 0 0 0 0 -3.1070 -0.1507 0.6369 C 0 0 0 0 0 -3.9156 0.6413 -0.1283 N 0 0 0 0 0 -5.1780 0.5797 0.3905 C 0 0 0 0 0 -6.2955 1.2433 -0.1000 N 0 0 0 0 0 -5.1504 -0.2148 1.4316 N 0 0 0 0 0 -3.8373 -0.6784 1.5875 N 0 0 0 0 0 6.4331 2.3054 2.3798 H 0 0 0 0 0 5.4197 0.1229 1.8574 H 0 0 0 0 0 4.2865 1.5685 -1.9920 H 0 0 0 0 0 5.2906 3.7540 -1.4670 H 0 0 0 0 0 4.2334 -0.8062 -1.4916 H 0 0 0 0 0 4.7059 -1.4096 0.1150 H 0 0 0 0 0 2.6419 -0.4402 1.0874 H 0 0 0 0 0 2.1686 0.1628 -0.5193 H 0 0 0 0 0 3.7874 -2.9307 0.4463 H 0 0 0 0 0 2.3954 -2.8743 1.5541 H 0 0 0 0 0 1.1442 -4.3811 -0.0204 H 0 0 0 0 0 3.8587 -4.5410 -1.4060 H 0 0 0 0 0 2.4366 -5.5385 -1.7921 H 0 0 0 0 0 2.3952 -3.7824 -2.0769 H 0 0 0 0 0 2.3775 -5.3028 1.9229 H 0 0 0 0 0 2.4266 -6.4269 0.5431 H 0 0 0 0 0 3.8487 -5.4294 0.9292 H 0 0 0 0 0 0.2319 -2.8873 -0.2463 H 0 0 0 0 0 0.7148 -2.0656 2.0303 H 0 0 0 0 0 0.7589 -0.3900 1.4315 H 0 0 0 0 0 -1.6473 -2.2662 1.3205 H 0 0 0 0 0 -1.4421 -0.9017 2.4446 H 0 0 0 0 0 -1.9272 -1.8470 -1.0377 H 0 0 0 0 0 -1.9277 -0.1747 -1.6469 H 0 0 0 0 0 0.4640 0.0507 -1.0479 H 0 0 0 0 0 0.2184 -1.3228 -2.1540 H 0 0 0 0 0 -3.6423 1.1555 -0.9035 H 0 0 0 0 0 -6.2167 1.8137 -0.8817 H 0 0 0 0 0 -7.1543 1.1375 0.3375 H 0 0 0 0 0 24 23 1 0 0 0 23 22 1 0 0 0 23 25 2 0 0 0 22 21 1 0 0 0 25 26 1 0 0 0 21 26 2 0 0 0 21 18 1 0 0 0 17 18 1 0 0 0 17 16 1 0 0 0 18 19 1 0 0 0 3 4 2 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 16 15 1 0 0 0 1 2 1 0 0 0 2 7 2 0 0 0 19 20 1 0 0 0 5 8 1 0 0 0 5 6 2 0 0 0 8 9 1 0 0 0 15 20 1 0 0 0 15 10 1 0 0 0 7 6 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 14 1 0 0 0 12 13 1 0 0 0 3 27 1 0 0 0 4 28 1 0 0 0 6 29 1 0 0 0 7 30 1 0 0 0 8 31 1 0 0 0 8 32 1 0 0 0 9 33 1 0 0 0 9 34 1 0 0 0 11 35 1 0 0 0 11 36 1 0 0 0 12 37 1 0 0 0 13 38 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 14 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 19 49 1 0 0 0 19 50 1 0 0 0 20 51 1 0 0 0 20 52 1 0 0 0 22 53 1 0 0 0 24 54 1 0 0 0 24 55 1 0 0 0 M END $$$$