CQM Converted by convert_cif2sdf.py 2024/03/29 11:09:15 99101 0 0 0 0 0 0 0 0999 V2000 10.3929 3.2722 -1.8661 C 0 0 0 0 0 11.7523 5.3297 -1.6078 C 0 0 0 0 0 11.1253 4.0204 0.4027 C 0 0 0 0 0 -2.6584 -3.8514 -1.6262 P 0 0 0 0 0 -1.6241 -3.3933 -2.5808 O 0 0 0 0 0 -3.3780 -5.1699 -2.2057 O 0 0 0 0 0 -3.7533 -2.6887 -1.4218 O 0 0 0 0 0 -1.9680 -4.1934 -0.2124 O 0 0 0 0 0 -4.5420 -1.7061 -2.4239 P 0 0 0 0 0 -5.0423 -2.4810 -3.5818 O 0 0 0 0 0 -3.5457 -0.5528 -2.9403 O 0 0 0 0 0 -5.7848 -1.0364 -1.6510 O 0 0 0 0 0 -6.7422 -0.1951 -2.2974 C 0 0 0 0 0 -7.7836 0.2705 -1.2776 C 0 0 0 0 0 -7.1677 1.1368 -0.3098 O 0 0 0 0 0 -8.8855 1.0813 -1.9869 C 0 0 0 0 0 -10.1590 0.4567 -1.8103 O 0 0 0 0 0 -8.8538 2.4604 -1.2846 C 0 0 0 0 0 -10.1773 2.9515 -1.0647 O 0 0 0 0 0 -8.1543 2.1229 0.0614 C 0 0 0 0 0 -11.0606 -0.0595 -3.0408 P 0 0 0 0 0 -10.2682 -0.9885 -3.8773 O 0 0 0 0 0 -12.3579 -0.8228 -2.4711 O 0 0 0 0 0 -11.5253 1.1992 -3.9300 O 0 0 0 0 0 -7.5104 3.3138 0.6206 N 0 0 0 0 0 -8.1089 4.2691 1.4034 C 0 0 0 0 0 -9.3341 4.4556 1.8831 N 0 0 0 0 0 -9.6094 5.5042 2.6298 C 0 0 0 0 0 -8.7010 6.4127 2.9385 N 0 0 0 0 0 -7.4497 6.3100 2.5046 C 0 0 0 0 0 -7.1068 5.2072 1.7035 C 0 0 0 0 0 -5.9699 4.7838 1.1005 N 0 0 0 0 0 -6.2044 3.6731 0.4652 C 0 0 0 0 0 -6.5059 7.2664 2.8331 N 0 0 0 0 0 -0.4697 -5.2037 1.3918 C 0 0 0 0 0 -0.8815 -5.1112 -0.0783 C 0 0 0 0 0 -0.0344 -3.8231 1.8864 C 0 0 0 0 0 -1.6563 -5.6927 2.2243 C 0 0 0 0 0 0.6945 -6.1866 1.5349 C 0 0 0 0 0 0.2502 -7.5027 1.1999 O 0 0 0 0 0 1.8103 -5.7819 0.6072 C 0 0 0 0 0 2.0897 -6.4781 -0.3452 O 0 0 0 0 0 2.4986 -4.6457 0.8372 N 0 0 0 0 0 3.5191 -4.2018 -0.1166 C 0 0 0 0 0 4.1441 -2.8955 0.3775 C 0 0 0 0 0 5.1934 -2.4392 -0.6033 C 0 0 0 0 0 5.4186 -3.0933 -1.5997 O 0 0 0 0 0 5.8818 -1.3029 -0.3734 N 0 0 0 0 0 6.9012 -0.8591 -1.3272 C 0 0 0 0 0 7.5272 0.4472 -0.8331 C 0 0 0 0 0 8.7863 0.9956 -2.0118 S 0 0 0 0 0 9.3102 2.4313 -1.2398 C 0 0 0 0 0 8.8100 2.7723 -0.1886 O 0 0 0 0 0 10.6696 4.4889 -0.9815 C 0 0 0 0 0 9.4777 5.2664 -0.8531 O 0 0 0 0 0 12.5514 4.8235 -2.3596 O 0 0 0 0 0 11.8288 6.6408 -1.3311 O 0 0 0 0 0 11.3020 2.6791 -1.9644 H 0 0 0 0 0 10.0684 3.6060 -2.8524 H 0 0 0 0 0 11.3222 4.8873 1.0326 H 0 0 0 0 0 10.3419 3.4120 0.8554 H 0 0 0 0 0 12.0344 3.4273 0.3043 H 0 0 0 0 0 -4.0682 -5.5263 -1.6305 H 0 0 0 0 0 -3.1790 -0.0033 -2.2338 H 0 0 0 0 0 -6.2363 0.6722 -2.7212 H 0 0 0 0 0 -7.2366 -0.7518 -3.0930 H 0 0 0 0 0 -8.2227 -0.5921 -0.7771 H 0 0 0 0 0 -8.6575 1.1878 -3.0483 H 0 0 0 0 0 -8.2661 3.1760 -1.8596 H 0 0 0 0 0 -10.2099 3.8133 -0.6263 H 0 0 0 0 0 -8.8683 1.7025 0.7699 H 0 0 0 0 0 -12.9487 -1.1614 -3.1582 H 0 0 0 0 0 -12.0500 1.8507 -3.4451 H 0 0 0 0 0 -10.6147 5.6271 3.0037 H 0 0 0 0 0 -5.4713 3.1152 -0.0992 H 0 0 0 0 0 -6.7548 8.0235 3.3873 H 0 0 0 0 0 -5.5951 7.1806 2.5102 H 0 0 0 0 0 -1.1919 -6.0955 -0.4309 H 0 0 0 0 0 -0.0361 -4.7628 -0.6719 H 0 0 0 0 0 -0.8930 -3.1518 1.8918 H 0 0 0 0 0 0.3666 -3.9082 2.8967 H 0 0 0 0 0 0.7336 -3.4248 1.2234 H 0 0 0 0 0 -1.9277 -6.7019 1.9120 H 0 0 0 0 0 -1.3812 -5.7005 3.2796 H 0 0 0 0 0 -2.5054 -5.0262 2.0748 H 0 0 0 0 0 1.0545 -6.1763 2.5637 H 0 0 0 0 0 -0.0845 -7.5868 0.2957 H 0 0 0 0 0 2.3193 -4.1218 1.6338 H 0 0 0 0 0 4.2917 -4.9648 -0.2026 H 0 0 0 0 0 3.0582 -4.0378 -1.0906 H 0 0 0 0 0 3.3714 -2.1326 0.4646 H 0 0 0 0 0 4.6049 -3.0595 1.3515 H 0 0 0 0 0 5.7015 -0.7790 0.4232 H 0 0 0 0 0 7.6739 -1.6220 -1.4142 H 0 0 0 0 0 6.4404 -0.6950 -2.3022 H 0 0 0 0 0 6.7536 1.2102 -0.7470 H 0 0 0 0 0 7.9871 0.2832 0.1410 H 0 0 0 0 0 9.1318 5.5974 -1.6932 H 0 0 0 0 0 12.5402 7.1390 -1.7566 H 0 0 0 0 0 55 54 1 0 0 0 56 2 2 0 0 0 3 54 1 0 0 0 54 2 1 0 0 0 54 1 1 0 0 0 2 57 1 0 0 0 53 52 2 0 0 0 52 1 1 0 0 0 52 51 1 0 0 0 50 49 1 0 0 0 50 51 1 0 0 0 49 48 1 0 0 0 47 46 2 0 0 0 48 46 1 0 0 0 46 45 1 0 0 0 45 44 1 0 0 0 44 43 1 0 0 0 29 28 1 0 0 0 29 30 2 0 0 0 34 30 1 0 0 0 28 27 2 0 0 0 30 31 1 0 0 0 42 41 2 0 0 0 43 41 1 0 0 0 41 39 1 0 0 0 27 26 1 0 0 0 31 26 2 0 0 0 31 32 1 0 0 0 26 25 1 0 0 0 39 40 1 0 0 0 39 35 1 0 0 0 37 35 1 0 0 0 32 33 2 0 0 0 38 35 1 0 0 0 35 36 1 0 0 0 25 33 1 0 0 0 25 20 1 0 0 0 19 18 1 0 0 0 20 18 1 0 0 0 20 15 1 0 0 0 18 16 1 0 0 0 36 8 1 0 0 0 8 4 1 0 0 0 15 14 1 0 0 0 17 16 1 0 0 0 17 21 1 0 0 0 16 14 1 0 0 0 5 4 2 0 0 0 22 21 2 0 0 0 4 7 1 0 0 0 4 6 1 0 0 0 14 13 1 0 0 0 7 9 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 12 13 1 0 0 0 12 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 1 58 1 0 0 0 1 59 1 0 0 0 3 60 1 0 0 0 3 61 1 0 0 0 3 62 1 0 0 0 6 63 1 0 0 0 11 64 1 0 0 0 13 65 1 0 0 0 13 66 1 0 0 0 14 67 1 0 0 0 16 68 1 0 0 0 18 69 1 0 0 0 19 70 1 0 0 0 20 71 1 0 0 0 23 72 1 0 0 0 24 73 1 0 0 0 28 74 1 0 0 0 33 75 1 0 0 0 34 76 1 0 0 0 34 77 1 0 0 0 36 78 1 0 0 0 36 79 1 0 0 0 37 80 1 0 0 0 37 81 1 0 0 0 37 82 1 0 0 0 38 83 1 0 0 0 38 84 1 0 0 0 38 85 1 0 0 0 39 86 1 0 0 0 40 87 1 0 0 0 43 88 1 0 0 0 44 89 1 0 0 0 44 90 1 0 0 0 45 91 1 0 0 0 45 92 1 0 0 0 48 93 1 0 0 0 49 94 1 0 0 0 49 95 1 0 0 0 50 96 1 0 0 0 50 97 1 0 0 0 55 98 1 0 0 0 57 99 1 0 0 0 M END $$$$