SPN Converted by convert_cif2sdf.py 2024/03/29 11:09:15 113112 0 0 0 0 0 0 0 0999 V2000 16.4680 1.4047 -0.4202 C 0 0 0 0 0 15.0990 1.0101 -0.5320 O 0 0 0 0 0 14.9746 1.1373 1.8767 C 0 0 0 0 0 14.5642 3.1497 0.4540 C 0 0 0 0 0 14.4003 1.6313 0.5477 C 0 0 0 0 0 12.9381 1.2784 0.4695 C 0 0 0 0 0 12.2790 1.2078 1.4783 O 0 0 0 0 0 12.2974 1.0113 -0.8679 C 0 0 0 0 0 10.8398 0.6829 -0.6700 C 0 0 0 0 0 10.3808 -0.4934 -1.0188 C 0 0 0 0 0 11.3336 -1.5699 -1.4689 C 0 0 0 0 0 8.9003 -0.7694 -0.9679 C 0 0 0 0 0 8.2682 -0.4087 -2.3135 C 0 0 0 0 0 6.7878 -0.6847 -2.2626 C 0 0 0 0 0 5.9342 0.2514 -2.5959 C 0 0 0 0 0 6.4312 1.5517 -3.1730 C 0 0 0 0 0 4.4564 0.0294 -2.4012 C 0 0 0 0 0 4.0476 0.5081 -1.0075 C 0 0 0 0 0 2.5698 0.2851 -0.8130 C 0 0 0 0 0 2.1378 -0.3551 0.2440 C 0 0 0 0 0 3.1208 -0.9529 1.2172 C 0 0 0 0 0 0.6568 -0.4941 0.4880 C 0 0 0 0 0 0.1493 -1.7734 -0.1801 C 0 0 0 0 0 -1.3537 -1.9157 0.0677 C 0 0 0 0 0 -1.8621 -3.1951 -0.5994 C 0 0 0 0 0 -3.3422 -3.3340 -0.3564 C 0 0 0 0 0 -3.8392 -4.0718 0.8607 C 0 0 0 0 0 -4.1972 -2.8153 -1.2012 C 0 0 0 0 0 -5.6749 -3.0485 -1.0183 C 0 0 0 0 0 -6.3998 -1.7021 -0.9606 C 0 0 0 0 0 -7.9006 -1.9396 -0.7751 C 0 0 0 0 0 -8.4373 -2.7578 -1.9509 C 0 0 0 0 0 -8.6265 -0.5931 -0.7174 C 0 0 0 0 0 -10.1262 -0.8306 -0.5328 C 0 0 0 0 0 -10.8411 0.4939 -0.4755 C 0 0 0 0 0 -11.4772 0.8493 0.6125 C 0 0 0 0 0 -11.3601 0.0126 1.8611 C 0 0 0 0 0 -12.3268 2.0937 0.6164 C 0 0 0 0 0 -13.7566 1.7370 0.2043 C 0 0 0 0 0 -14.6062 2.9814 0.2083 C 0 0 0 0 0 -15.1237 3.4250 -0.9094 C 0 0 0 0 0 -16.1011 4.5706 -0.8849 C 0 0 0 0 0 -14.7397 2.7887 -2.2210 C 0 0 0 0 0 16.8725 1.0499 0.5267 H 0 0 0 0 0 17.0390 0.9733 -1.2426 H 0 0 0 0 0 16.5378 2.4917 -0.4613 H 0 0 0 0 0 15.0219 0.0486 1.8697 H 0 0 0 0 0 15.9766 1.5446 2.0140 H 0 0 0 0 0 14.3339 1.4687 2.6947 H 0 0 0 0 0 14.2868 3.4841 -0.5451 H 0 0 0 0 0 13.9193 3.6306 1.1892 H 0 0 0 0 0 15.6024 3.4169 0.6516 H 0 0 0 0 0 12.3884 1.8971 -1.4969 H 0 0 0 0 0 12.7978 0.1711 -1.3485 H 0 0 0 0 0 10.1737 1.4168 -0.2433 H 0 0 0 0 0 12.3597 -1.2203 -1.3533 H 0 0 0 0 0 11.1847 -2.4644 -0.8636 H 0 0 0 0 0 11.1464 -1.8053 -2.5171 H 0 0 0 0 0 8.7352 -1.8270 -0.7607 H 0 0 0 0 0 8.4460 -0.1691 -0.1808 H 0 0 0 0 0 8.4333 0.6479 -2.5207 H 0 0 0 0 0 8.7225 -1.0090 -3.1016 H 0 0 0 0 0 6.4294 -1.6552 -1.9519 H 0 0 0 0 0 7.5085 1.4928 -3.3278 H 0 0 0 0 0 5.9361 1.7384 -4.1256 H 0 0 0 0 0 6.2076 2.3641 -2.4823 H 0 0 0 0 0 3.9032 0.5881 -3.1550 H 0 0 0 0 0 4.2338 -1.0329 -2.5001 H 0 0 0 0 0 4.6018 -0.0506 -0.2538 H 0 0 0 0 0 4.2713 1.5704 -0.9077 H 0 0 0 0 0 1.8670 0.6537 -1.5449 H 0 0 0 0 0 4.1346 -0.6728 0.9276 H 0 0 0 0 0 2.9137 -0.5782 2.2198 H 0 0 0 0 0 3.0271 -2.0387 1.2072 H 0 0 0 0 0 0.4695 -0.5446 1.5597 H 0 0 0 0 0 0.1385 0.3652 0.0671 H 0 0 0 0 0 0.3386 -1.7240 -1.2509 H 0 0 0 0 0 0.6686 -2.6347 0.2408 H 0 0 0 0 0 -1.5420 -1.9653 1.1405 H 0 0 0 0 0 -1.8740 -1.0554 -0.3532 H 0 0 0 0 0 -1.6729 -3.1456 -1.6712 H 0 0 0 0 0 -1.3419 -4.0554 -0.1785 H 0 0 0 0 0 -4.4971 -4.8831 0.5499 H 0 0 0 0 0 -2.9910 -4.4816 1.4098 H 0 0 0 0 0 -4.3895 -3.3843 1.5030 H 0 0 0 0 0 -3.8434 -2.2188 -2.0296 H 0 0 0 0 0 -6.0566 -3.6315 -1.8554 H 0 0 0 0 0 -5.8440 -3.5929 -0.0902 H 0 0 0 0 0 -6.0181 -1.1191 -0.1235 H 0 0 0 0 0 -6.2308 -1.1577 -1.8898 H 0 0 0 0 0 -8.0696 -2.4839 0.1531 H 0 0 0 0 0 -8.2673 -2.2134 -2.8801 H 0 0 0 0 0 -7.9203 -3.7171 -1.9912 H 0 0 0 0 0 -9.5052 -2.9269 -1.8186 H 0 0 0 0 0 -8.2438 -0.0112 0.1196 H 0 0 0 0 0 -8.4564 -0.0497 -1.6466 H 0 0 0 0 0 -10.5079 -1.4135 -1.3689 H 0 0 0 0 0 -10.2953 -1.3749 0.3964 H 0 0 0 0 0 -10.8284 1.1516 -1.3315 H 0 0 0 0 0 -10.6561 -0.8005 1.6880 H 0 0 0 0 0 -11.0014 0.6337 2.6815 H 0 0 0 0 0 -12.3365 -0.3975 2.1165 H 0 0 0 0 0 -12.3350 2.5250 1.6178 H 0 0 0 0 0 -11.9155 2.8167 -0.0877 H 0 0 0 0 0 -13.7484 1.3055 -0.7960 H 0 0 0 0 0 -14.1680 1.0130 0.9084 H 0 0 0 0 0 -14.7895 3.5073 1.1343 H 0 0 0 0 0 -16.4203 4.7980 -1.9029 H 0 0 0 0 0 -16.9693 4.2952 -0.2851 H 0 0 0 0 0 -15.6225 5.4479 -0.4498 H 0 0 0 0 0 -13.9523 2.0543 -2.0523 H 0 0 0 0 0 -15.6101 2.2963 -2.6541 H 0 0 0 0 0 -14.3794 3.5575 -2.9052 H 0 0 0 0 0 1 2 1 0 0 0 1 44 1 0 0 0 1 45 1 0 0 0 1 46 1 0 0 0 2 5 1 0 0 0 3 5 1 0 0 0 3 47 1 0 0 0 3 48 1 0 0 0 3 49 1 0 0 0 4 5 1 0 0 0 4 50 1 0 0 0 4 51 1 0 0 0 4 52 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 53 1 0 0 0 8 54 1 0 0 0 9 10 2 0 0 0 9 55 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 11 56 1 0 0 0 11 57 1 0 0 0 11 58 1 0 0 0 12 13 1 0 0 0 12 59 1 0 0 0 12 60 1 0 0 0 13 14 1 0 0 0 13 61 1 0 0 0 13 62 1 0 0 0 14 15 2 0 0 0 14 63 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 64 1 0 0 0 16 65 1 0 0 0 16 66 1 0 0 0 17 18 1 0 0 0 17 67 1 0 0 0 17 68 1 0 0 0 18 19 1 0 0 0 18 69 1 0 0 0 18 70 1 0 0 0 19 20 2 0 0 0 19 71 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 21 72 1 0 0 0 21 73 1 0 0 0 21 74 1 0 0 0 22 23 1 0 0 0 22 75 1 0 0 0 22 76 1 0 0 0 23 24 1 0 0 0 23 77 1 0 0 0 23 78 1 0 0 0 24 25 1 0 0 0 24 79 1 0 0 0 24 80 1 0 0 0 25 26 1 0 0 0 25 81 1 0 0 0 25 82 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 27 83 1 0 0 0 27 84 1 0 0 0 27 85 1 0 0 0 28 29 1 0 0 0 28 86 1 0 0 0 29 30 1 0 0 0 29 87 1 0 0 0 29 88 1 0 0 0 30 31 1 0 0 0 30 89 1 0 0 0 30 90 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 91 1 0 0 0 32 92 1 0 0 0 32 93 1 0 0 0 32 94 1 0 0 0 33 34 1 0 0 0 33 95 1 0 0 0 33 96 1 0 0 0 34 35 1 0 0 0 34 97 1 0 0 0 34 98 1 0 0 0 35 36 2 0 0 0 35 99 1 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 37100 1 0 0 0 37101 1 0 0 0 37102 1 0 0 0 38 39 1 0 0 0 38103 1 0 0 0 38104 1 0 0 0 39 40 1 0 0 0 39105 1 0 0 0 39106 1 0 0 0 40 41 2 0 0 0 40107 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 42108 1 0 0 0 42109 1 0 0 0 42110 1 0 0 0 43111 1 0 0 0 43112 1 0 0 0 43113 1 0 0 0 M END $$$$