J1R Converted by convert_cif2sdf.py 2024/03/29 11:09:15 79 86 0 0 0 0 0 0 0 0999 V2000 14.0791 5.0638 12.1875 O 0 0 0 0 0 14.5579 5.4850 13.2546 C 0 0 0 0 0 15.5314 4.9431 13.9207 O 0 0 0 0 0 13.7985 6.7376 13.7069 C 0 0 0 0 0 13.2436 6.4531 15.1106 C 0 0 0 0 0 11.7932 6.0140 15.0620 C 0 0 0 0 0 10.6629 6.7937 15.1579 C 0 0 0 0 0 10.5800 8.2805 15.3166 C 0 0 0 0 0 9.5745 5.9242 15.0735 C 0 0 0 0 0 9.9818 4.6375 14.8787 N 0 0 0 0 0 11.3184 4.7341 14.9375 C 0 0 0 0 0 12.1383 3.5127 14.8353 C 0 0 0 0 0 8.1627 6.3745 15.1631 C 0 0 0 0 0 7.0423 5.4823 15.0370 C 0 0 0 0 0 7.3846 4.2237 14.8422 N 0 0 0 0 0 8.8390 3.1313 14.7431 CO 0 3 0 0 0 5.6763 5.7493 15.0281 C 0 0 0 0 0 5.0788 7.1115 15.2396 C 0 0 0 0 0 5.0708 4.5011 14.8177 C 0 0 0 0 0 3.5608 4.3252 14.7116 C 0 0 0 0 0 6.1140 3.4513 14.4985 C 0 0 0 0 0 5.9561 3.2353 12.9641 C 0 0 0 0 0 6.2945 2.0782 15.0863 C 0 0 0 0 0 7.6742 1.6641 14.6686 N 0 0 0 0 0 6.1511 2.2956 16.6133 C 0 0 0 0 0 5.5339 0.8142 14.8408 C 0 0 0 0 0 4.0496 0.6109 15.0548 C 0 0 0 0 0 6.4027 -0.2488 14.5973 C 0 0 0 0 0 6.1166 -1.7111 14.4736 C 0 0 0 0 0 7.6882 0.3528 14.5310 C 0 0 0 0 0 9.0168 -0.2011 14.2719 C 0 0 0 0 0 10.2820 0.5891 14.4043 C 0 0 0 0 0 11.5379 0.0178 14.3534 C 0 0 0 0 0 11.9265 -1.4427 14.1852 C 0 0 0 0 0 10.3139 1.9453 14.6269 N 0 0 0 0 0 11.6309 2.1776 14.6668 C 0 0 0 0 0 12.4136 1.0714 14.5465 C 0 0 0 0 0 13.9246 1.0143 14.5875 C 0 0 0 0 0 14.3332 0.8964 16.0698 C 0 0 0 0 0 15.8187 0.7859 16.3635 C 0 0 0 0 0 16.3967 -0.3062 16.1110 O 0 0 0 0 0 16.3823 1.7790 16.8860 O 0 0 0 0 0 14.5363 4.2740 11.9251 H 0 0 0 0 0 12.9728 6.9486 13.0115 H 0 0 0 0 0 14.4802 7.5997 13.7389 H 0 0 0 0 0 13.3189 7.3688 15.7161 H 0 0 0 0 0 13.8421 5.6558 15.5761 H 0 0 0 0 0 9.5245 8.5865 15.3617 H 0 0 0 0 0 11.0880 8.5788 16.2459 H 0 0 0 0 0 11.0674 8.7687 14.4592 H 0 0 0 0 0 13.2104 3.6304 14.8914 H 0 0 0 0 0 7.9674 7.4232 15.3309 H 0 0 0 0 0 3.9824 7.0446 15.1834 H 0 0 0 0 0 5.3733 7.4908 16.2294 H 0 0 0 0 0 5.4442 7.7966 14.4604 H 0 0 0 0 0 3.3252 3.2629 14.5478 H 0 0 0 0 0 3.0861 4.6660 15.6429 H 0 0 0 0 0 3.1811 4.9196 13.8674 H 0 0 0 0 0 5.0299 2.6768 12.7655 H 0 0 0 0 0 5.9106 4.2118 12.4590 H 0 0 0 0 0 6.8166 2.6657 12.5834 H 0 0 0 0 0 5.1190 2.5962 16.8455 H 0 0 0 0 0 6.3887 1.3599 17.1409 H 0 0 0 0 0 6.8454 3.0853 16.9381 H 0 0 0 0 0 3.7779 -0.4218 14.7891 H 0 0 0 0 0 3.8028 0.7945 16.1107 H 0 0 0 0 0 3.4885 1.3119 14.4198 H 0 0 0 0 0 5.0343 -1.8827 14.5644 H 0 0 0 0 0 6.4635 -2.0707 13.4941 H 0 0 0 0 0 6.6421 -2.2559 15.2711 H 0 0 0 0 0 9.0893 -1.2351 13.9690 H 0 0 0 0 0 11.0200 -2.0509 14.0485 H 0 0 0 0 0 12.5758 -1.5503 13.3038 H 0 0 0 0 0 12.4654 -1.7845 15.0817 H 0 0 0 0 0 14.3492 1.9309 14.1504 H 0 0 0 0 0 14.2852 0.1396 14.0263 H 0 0 0 0 0 13.8456 -0.0006 16.4788 H 0 0 0 0 0 13.9562 1.7888 16.5914 H 0 0 0 0 0 17.3075 -0.2516 16.3764 H 0 0 0 0 0 42 40 2 0 0 0 41 40 1 0 0 0 40 39 1 0 0 0 39 38 1 0 0 0 5 6 1 0 0 0 5 4 1 0 0 0 3 2 2 0 0 0 38 37 1 0 0 0 6 11 1 0 0 0 6 7 2 0 0 0 12 11 2 0 0 0 12 36 1 0 0 0 37 36 1 0 0 0 37 33 2 0 0 0 8 7 1 0 0 0 11 10 1 0 0 0 7 9 1 0 0 0 36 35 2 0 0 0 4 2 1 0 0 0 2 1 1 0 0 0 34 33 1 0 0 0 33 32 1 0 0 0 25 23 1 0 0 0 9 10 1 0 0 0 9 13 2 0 0 0 10 16 1 0 0 0 35 32 1 0 0 0 35 16 1 0 0 0 32 31 2 0 0 0 13 14 1 0 0 0 16 15 1 0 0 0 16 24 1 0 0 0 31 30 1 0 0 0 14 15 2 0 0 0 14 17 1 0 0 0 15 21 1 0 0 0 24 30 2 0 0 0 24 23 1 0 0 0 30 28 1 0 0 0 23 26 1 0 0 0 23 21 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 28 26 2 0 0 0 28 29 1 0 0 0 26 27 1 0 0 0 21 19 1 0 0 0 21 22 1 0 0 0 19 20 1 0 0 0 1 43 1 0 0 0 4 44 1 0 0 0 4 45 1 0 0 0 5 46 1 0 0 0 5 47 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 8 50 1 0 0 0 12 51 1 0 0 0 13 52 1 0 0 0 18 53 1 0 0 0 18 54 1 0 0 0 18 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 20 58 1 0 0 0 22 59 1 0 0 0 22 60 1 0 0 0 22 61 1 0 0 0 25 62 1 0 0 0 25 63 1 0 0 0 25 64 1 0 0 0 27 65 1 0 0 0 27 66 1 0 0 0 27 67 1 0 0 0 29 68 1 0 0 0 29 69 1 0 0 0 29 70 1 0 0 0 31 71 1 0 0 0 34 72 1 0 0 0 34 73 1 0 0 0 34 74 1 0 0 0 38 75 1 0 0 0 38 76 1 0 0 0 39 77 1 0 0 0 39 78 1 0 0 0 41 79 1 0 0 0 M END $$$$