JB1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 77 79 0 0 0 0 0 0 0 0999 V2000 8.5324 -0.3591 -2.0428 C 0 0 0 0 0 7.3690 0.3895 -1.3894 C 0 0 0 0 0 6.3604 -0.6193 -0.8370 C 0 0 0 0 0 5.1969 0.1283 -0.1834 C 0 0 0 0 0 4.1873 -0.8805 0.3690 C 0 0 0 0 0 4.8369 -1.6840 1.4974 C 0 0 0 0 0 3.8760 -2.7826 1.9588 C 0 0 0 0 0 4.4420 -3.4722 3.0739 O 0 0 0 0 0 2.9663 -0.1351 0.9112 C 0 0 0 0 0 3.4092 0.8531 1.9911 C 0 0 0 0 0 2.2863 0.6261 -0.2292 C 0 0 0 0 0 1.8928 -0.3488 -1.3693 C 0 0 0 0 0 0.3595 -0.1898 -1.5713 C 0 0 0 0 0 0.0928 1.2189 -1.0350 C 0 0 0 0 0 0.9729 1.2271 0.2466 C 0 0 0 0 0 0.3448 0.3049 1.2940 C 0 0 0 0 0 0.9832 2.6387 0.7845 C 0 0 0 0 0 -0.4347 2.9526 1.2919 C 0 0 0 0 0 -1.4756 2.8224 0.1819 C 0 0 0 0 0 -1.3020 1.5084 -0.5668 C 0 0 0 0 0 -2.3180 0.6745 -0.7910 C 0 0 0 0 0 -3.6605 1.0100 -0.3092 C 0 0 0 0 0 -4.6883 0.1659 -0.5359 C 0 0 0 0 0 -6.0916 0.4759 -0.0552 C 0 0 0 0 0 -6.6589 -0.7779 0.6181 C 0 0 0 0 0 -8.0023 -0.5257 1.0350 O 0 0 0 0 0 -6.6442 -1.9463 -0.3683 C 0 0 0 0 0 -5.1966 -2.3262 -0.6995 C 0 0 0 0 0 -4.5272 -2.7561 0.4873 O 0 0 0 0 0 -4.5013 -1.1022 -1.2709 C 0 0 0 0 0 -3.7594 -1.1672 -2.3760 C 0 0 0 0 0 9.0201 -0.9908 -1.3011 H 0 0 0 0 0 8.1549 -0.9781 -2.8571 H 0 0 0 0 0 9.2517 0.3597 -2.4367 H 0 0 0 0 0 7.7465 1.0082 -0.5761 H 0 0 0 0 0 6.8813 1.0222 -2.1314 H 0 0 0 0 0 5.9829 -1.2390 -1.6501 H 0 0 0 0 0 6.8481 -1.2519 -0.0950 H 0 0 0 0 0 5.5744 0.7483 0.6307 H 0 0 0 0 0 4.7092 0.7610 -0.9253 H 0 0 0 0 0 3.8769 -1.5564 -0.4266 H 0 0 0 0 0 5.7596 -2.1370 1.1368 H 0 0 0 0 0 5.0595 -1.0217 2.3346 H 0 0 0 0 0 2.9259 -2.3355 2.2516 H 0 0 0 0 0 3.7103 -3.4856 1.1425 H 0 0 0 0 0 3.8857 -4.1844 3.4197 H 0 0 0 0 0 2.2643 -0.8510 1.3391 H 0 0 0 0 0 4.1112 1.5689 1.5632 H 0 0 0 0 0 2.5393 1.3839 2.3776 H 0 0 0 0 0 3.8936 0.3113 2.8029 H 0 0 0 0 0 2.9458 1.4066 -0.6086 H 0 0 0 0 0 2.4210 -0.0850 -2.2860 H 0 0 0 0 0 2.1284 -1.3744 -1.0825 H 0 0 0 0 0 0.1002 -0.2562 -2.6282 H 0 0 0 0 0 -0.1856 -0.9339 -0.9911 H 0 0 0 0 0 0.4327 1.9727 -1.7453 H 0 0 0 0 0 0.9490 0.3204 2.2012 H 0 0 0 0 0 -0.6631 0.6484 1.5235 H 0 0 0 0 0 0.3023 -0.7117 0.9029 H 0 0 0 0 0 1.6958 2.7171 1.6055 H 0 0 0 0 0 1.2543 3.3350 -0.0093 H 0 0 0 0 0 -0.6851 2.2619 2.0971 H 0 0 0 0 0 -0.4561 3.9713 1.6797 H 0 0 0 0 0 -2.4738 2.8568 0.6194 H 0 0 0 0 0 -1.3617 3.6505 -0.5165 H 0 0 0 0 0 -2.1510 -0.2478 -1.3276 H 0 0 0 0 0 -3.8274 1.9320 0.2264 H 0 0 0 0 0 -6.0607 1.2964 0.6630 H 0 0 0 0 0 -6.7173 0.7540 -0.9029 H 0 0 0 0 0 -6.0508 -1.0299 1.4867 H 0 0 0 0 0 -8.0888 0.2009 1.6669 H 0 0 0 0 0 -7.1505 -2.8028 0.0773 H 0 0 0 0 0 -7.1605 -1.6568 -1.2826 H 0 0 0 0 0 -5.1883 -3.1294 -1.4366 H 0 0 0 0 0 -3.6059 -3.0119 0.3484 H 0 0 0 0 0 -3.2758 -0.2781 -2.7548 H 0 0 0 0 0 -3.6408 -2.1076 -2.8926 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 9 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 11 15 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 20 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 23 30 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 30 31 2 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 2 35 1 0 0 0 2 36 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 4 39 1 0 0 0 4 40 1 0 0 0 5 41 1 0 0 0 6 42 1 0 0 0 6 43 1 0 0 0 7 44 1 0 0 0 7 45 1 0 0 0 8 46 1 0 0 0 9 47 1 0 0 0 10 48 1 0 0 0 10 49 1 0 0 0 10 50 1 0 0 0 11 51 1 0 0 0 12 52 1 0 0 0 12 53 1 0 0 0 13 54 1 0 0 0 13 55 1 0 0 0 14 56 1 0 0 0 16 57 1 0 0 0 16 58 1 0 0 0 16 59 1 0 0 0 17 60 1 0 0 0 17 61 1 0 0 0 18 62 1 0 0 0 18 63 1 0 0 0 19 64 1 0 0 0 19 65 1 0 0 0 21 66 1 0 0 0 22 67 1 0 0 0 24 68 1 0 0 0 24 69 1 0 0 0 25 70 1 0 0 0 26 71 1 0 0 0 27 72 1 0 0 0 27 73 1 0 0 0 28 74 1 0 0 0 29 75 1 0 0 0 31 76 1 0 0 0 31 77 1 0 0 0 M END $$$$