CBN Converted by convert_cif2sdf.py 2024/03/29 11:09:15 86 90 0 0 0 0 0 0 0 0999 V2000 -9.3232 -2.1944 -0.0218 C 0 0 0 0 0 -5.2979 -0.0356 1.2495 C 0 0 0 0 0 -6.0034 -2.3162 1.9764 C 0 0 0 0 0 -7.3333 -1.0855 0.2537 C 0 0 0 0 0 -7.2459 -0.0944 -0.9112 C 0 0 0 0 0 -6.2480 -0.6359 -1.9416 C 0 0 0 0 0 -4.9207 -0.9359 -1.2399 C 0 0 0 0 0 -5.9249 -1.3527 0.7911 C 0 0 0 0 0 -1.7729 -2.2767 -3.9580 CL 0 0 0 0 0 -2.7606 -1.4023 -1.5908 C 0 0 0 0 0 -1.6330 -1.7850 -2.2993 C 0 0 0 0 0 -0.3908 -1.7695 -1.6802 C 0 0 0 0 0 1.9315 -2.1320 -1.7822 C 0 0 0 0 0 2.1147 -1.7509 -0.4402 C 0 0 0 0 0 1.0218 -1.3653 0.3120 C 0 0 0 0 0 -0.2970 -1.3730 -0.3356 C 0 0 0 0 0 -1.4447 -0.9953 0.3670 C 0 0 0 0 0 -2.6586 -1.0113 -0.2580 C 0 0 0 0 0 4.3875 -1.0302 -0.4216 C 0 0 0 0 0 5.7607 -1.1277 0.1088 C 0 0 0 0 0 6.7879 -0.3764 -0.4646 C 0 0 0 0 0 8.0685 -0.4660 0.0356 C 0 0 0 0 0 8.3398 -1.3120 1.1040 C 0 0 0 0 0 7.3216 -2.0663 1.6742 C 0 0 0 0 0 6.0386 -1.9781 1.1829 C 0 0 0 0 0 9.1760 0.3493 -0.5780 C 0 0 0 0 0 9.2706 1.6792 0.1251 C 0 0 0 0 0 9.0496 2.7880 -0.5371 C 0 0 0 0 0 9.2993 4.1200 0.1207 C 0 0 0 0 0 8.5449 2.7303 -1.9550 C 0 0 0 0 0 3.3983 -1.7615 0.1306 N 0 0 0 0 0 -7.9100 -2.3111 -0.2018 O 0 0 0 0 0 -6.7941 1.1947 -0.4221 O 0 0 0 0 0 -5.1185 -1.9296 -0.2370 O 0 0 0 0 0 -3.9748 -1.4131 -2.1986 O 0 0 0 0 0 1.1613 -0.9918 1.6060 O 0 0 0 0 0 0.7186 -2.1335 -2.3568 O 0 0 0 0 0 2.9003 -2.4709 -2.4397 O 0 0 0 0 0 4.1473 -0.2897 -1.3544 O 0 0 0 0 0 9.6038 -1.4025 1.5910 O 0 0 0 0 0 -6.4054 5.8221 -0.2947 C 0 0 0 0 0 -7.0513 4.8606 -1.0777 C 0 0 0 0 0 -6.7334 3.6280 -0.5441 C 0 0 0 0 0 -5.9044 3.8448 0.5324 N 0 0 0 0 0 -5.7142 5.1736 0.6729 C 0 0 0 0 0 -4.8704 5.8304 1.7345 C 0 0 0 0 0 -7.1888 2.3268 -1.0385 C 0 0 0 0 0 -7.9246 2.2671 -2.0064 O 0 0 0 0 0 -6.0405 0.3394 -2.9644 O 0 0 0 0 0 -9.8094 -3.1101 -0.3577 H 0 0 0 0 0 -9.5419 -2.0324 1.0341 H 0 0 0 0 0 -9.6957 -1.3512 -0.6027 H 0 0 0 0 0 -5.1942 0.6349 0.3958 H 0 0 0 0 0 -5.9362 0.4298 2.0000 H 0 0 0 0 0 -4.3155 -0.2308 1.6789 H 0 0 0 0 0 -5.0007 -2.5017 2.3617 H 0 0 0 0 0 -6.6193 -1.8764 2.7621 H 0 0 0 0 0 -6.4473 -3.2563 1.6514 H 0 0 0 0 0 -7.9515 -0.6640 1.0463 H 0 0 0 0 0 -8.2272 0.0130 -1.3740 H 0 0 0 0 0 -6.6411 -1.5510 -2.3838 H 0 0 0 0 0 -4.5406 -0.0246 -0.7786 H 0 0 0 0 0 -1.3719 -0.6917 1.3999 H 0 0 0 0 0 -3.5457 -0.7185 0.2846 H 0 0 0 0 0 6.5773 0.2815 -1.2944 H 0 0 0 0 0 7.5372 -2.7235 2.5044 H 0 0 0 0 0 5.2481 -2.5643 1.6262 H 0 0 0 0 0 10.1209 -0.1844 -0.4748 H 0 0 0 0 0 8.9644 0.5122 -1.6344 H 0 0 0 0 0 9.5211 1.7178 1.1744 H 0 0 0 0 0 9.0611 4.9214 -0.5800 H 0 0 0 0 0 8.6709 4.2127 1.0055 H 0 0 0 0 0 10.3483 4.1918 0.4104 H 0 0 0 0 0 8.3300 1.6953 -2.2227 H 0 0 0 0 0 7.6338 3.3233 -2.0414 H 0 0 0 0 0 9.3040 3.1295 -2.6281 H 0 0 0 0 0 3.5734 -2.2949 0.9214 H 0 0 0 0 0 2.1101 -0.9834 1.7937 H 0 0 0 0 0 10.0433 -2.1094 1.0994 H 0 0 0 0 0 -6.4471 6.8914 -0.4393 H 0 0 0 0 0 -7.6829 5.0464 -1.9333 H 0 0 0 0 0 -5.5205 3.1562 1.0978 H 0 0 0 0 0 -4.8734 5.2139 2.6337 H 0 0 0 0 0 -3.8477 5.9365 1.3706 H 0 0 0 0 0 -5.2776 6.8140 1.9655 H 0 0 0 0 0 -5.4080 -0.0410 -3.5888 H 0 0 0 0 0 1 32 1 0 0 0 1 50 1 0 0 0 1 51 1 0 0 0 1 52 1 0 0 0 2 8 1 0 0 0 2 53 1 0 0 0 2 54 1 0 0 0 2 55 1 0 0 0 3 8 1 0 0 0 3 56 1 0 0 0 3 57 1 0 0 0 3 58 1 0 0 0 4 5 1 0 0 0 4 8 1 0 0 0 4 32 1 0 0 0 4 59 1 0 0 0 5 6 1 0 0 0 5 33 1 0 0 0 5 60 1 0 0 0 6 7 1 0 0 0 6 49 1 0 0 0 6 61 1 0 0 0 7 34 1 0 0 0 7 35 1 0 0 0 7 62 1 0 0 0 8 34 1 0 0 0 9 11 1 0 0 0 10 11 2 0 0 0 10 18 1 0 0 0 10 35 1 0 0 0 11 12 1 0 0 0 12 16 2 0 0 0 12 37 1 0 0 0 13 14 1 0 0 0 13 37 1 0 0 0 13 38 2 0 0 0 14 15 2 0 0 0 14 31 1 0 0 0 15 16 1 0 0 0 15 36 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 63 1 0 0 0 18 64 1 0 0 0 19 20 1 0 0 0 19 31 1 0 0 0 19 39 2 0 0 0 20 21 2 0 0 0 20 25 1 0 0 0 21 22 1 0 0 0 21 65 1 0 0 0 22 23 2 0 0 0 22 26 1 0 0 0 23 24 1 0 0 0 23 40 1 0 0 0 24 25 2 0 0 0 24 66 1 0 0 0 25 67 1 0 0 0 26 27 1 0 0 0 26 68 1 0 0 0 26 69 1 0 0 0 27 28 2 0 0 0 27 70 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 29 71 1 0 0 0 29 72 1 0 0 0 29 73 1 0 0 0 30 74 1 0 0 0 30 75 1 0 0 0 30 76 1 0 0 0 31 77 1 0 0 0 33 47 1 0 0 0 36 78 1 0 0 0 40 79 1 0 0 0 41 42 1 0 0 0 41 45 2 0 0 0 41 80 1 0 0 0 42 43 2 0 0 0 42 81 1 0 0 0 43 44 1 0 0 0 43 47 1 0 0 0 44 45 1 0 0 0 44 82 1 0 0 0 45 46 1 0 0 0 46 83 1 0 0 0 46 84 1 0 0 0 46 85 1 0 0 0 47 48 2 0 0 0 49 86 1 0 0 0 M END $$$$