LIO Converted by convert_cif2sdf.py 2024/03/29 11:09:15 110109 0 0 0 0 0 0 0 0999 V2000 4.5377 2.3665 2.5071 C 0 0 0 0 0 4.7333 1.0808 3.3133 C 0 0 0 0 0 3.3910 0.6342 3.8962 C 0 0 0 0 0 2.3404 4.5632 -1.2526 C 0 0 0 0 0 1.3748 4.4383 -2.4334 C 0 0 0 0 0 -0.2935 5.4516 -1.0385 C 0 0 0 0 0 -0.9378 4.3372 -3.0624 C 0 0 0 0 0 -0.1472 3.0620 -1.1907 C 0 0 0 0 0 1.1623 0.1197 3.1029 C 0 0 0 0 0 0.1530 -0.0159 1.9914 C 0 0 0 0 0 -1.1894 -0.4626 2.5743 C 0 0 0 0 0 -2.2134 -0.6004 1.4455 C 0 0 0 0 0 -3.5558 -1.0471 2.0284 C 0 0 0 0 0 -4.5808 -1.1850 0.9007 C 0 0 0 0 0 -5.9232 -1.6316 1.4825 C 0 0 0 0 0 -6.9472 -1.7695 0.3548 C 0 0 0 0 0 -8.2906 -2.2161 0.9366 C 0 0 0 0 0 -9.3146 -2.3540 -0.1911 C 0 0 0 0 0 -10.6569 -2.8006 0.3908 C 0 0 0 0 0 -11.6820 -2.9385 -0.7370 C 0 0 0 0 0 -13.0243 -3.3852 -0.1551 C 0 0 0 0 0 -14.0484 -3.5230 -1.2829 C 0 0 0 0 0 -15.3907 -3.9707 -0.7000 C 0 0 0 0 0 6.5808 -0.1129 2.3040 C 0 0 0 0 0 7.1223 -1.1932 1.4030 C 0 0 0 0 0 8.6517 -1.1520 1.4195 C 0 0 0 0 0 9.2018 -2.2479 0.5054 C 0 0 0 0 0 10.7311 -2.2068 0.5219 C 0 0 0 0 0 11.2803 -3.3037 -0.3923 C 0 0 0 0 0 12.8096 -3.2626 -0.3758 C 0 0 0 0 0 13.3597 -4.3595 -1.2899 C 0 0 0 0 0 14.8891 -4.3173 -1.2744 C 0 0 0 0 0 15.4382 -5.4143 -2.1885 C 0 0 0 0 0 -0.0009 4.3228 -1.9315 N 0 3 0 0 0 5.2553 0.0407 2.4464 O 0 0 0 0 0 2.4189 0.5040 2.8253 O 0 0 0 0 0 0.8412 -0.1162 4.2432 O 0 0 0 0 0 7.3401 0.6159 2.8973 O 0 0 0 0 0 2.8170 4.6833 1.7017 O 0 0 0 0 0 4.6938 3.9538 0.1796 O 0 0 0 0 0 3.5275 2.1585 1.5168 O 0 0 0 0 0 2.3432 3.3422 -0.5093 O 0 0 0 0 0 3.3743 3.5433 0.7112 P 0 0 0 0 0 4.2306 3.1711 3.1754 H 0 0 0 0 0 5.4740 2.6366 2.0198 H 0 0 0 0 0 5.4385 1.2647 4.1251 H 0 0 0 0 0 3.0418 1.3751 4.6153 H 0 0 0 0 0 3.5136 -0.3271 4.3948 H 0 0 0 0 0 2.0203 5.3807 -0.6063 H 0 0 0 0 0 3.3449 4.7649 -1.6237 H 0 0 0 0 0 1.4580 5.3233 -3.0650 H 0 0 0 0 0 1.6257 3.5514 -3.0154 H 0 0 0 0 0 -0.1846 6.3874 -1.5882 H 0 0 0 0 0 -1.3139 5.3655 -0.6664 H 0 0 0 0 0 0.4023 5.4409 -0.1989 H 0 0 0 0 0 -0.7210 3.4993 -3.7244 H 0 0 0 0 0 -1.9583 4.2512 -2.6903 H 0 0 0 0 0 -0.8289 5.2720 -3.6121 H 0 0 0 0 0 0.3991 3.1285 -0.2493 H 0 0 0 0 0 -1.2018 2.8807 -0.9871 H 0 0 0 0 0 0.2543 2.2421 -1.7859 H 0 0 0 0 0 0.5022 -0.7569 1.2723 H 0 0 0 0 0 0.0313 0.9454 1.4928 H 0 0 0 0 0 -1.5376 0.2784 3.2934 H 0 0 0 0 0 -1.0668 -1.4239 3.0729 H 0 0 0 0 0 -1.8652 -1.3414 0.7264 H 0 0 0 0 0 -2.3361 0.3609 0.9469 H 0 0 0 0 0 -3.9050 -0.3061 2.7475 H 0 0 0 0 0 -3.4341 -2.0084 2.5270 H 0 0 0 0 0 -4.2316 -1.9259 0.1815 H 0 0 0 0 0 -4.7025 -0.2236 0.4011 H 0 0 0 0 0 -6.2724 -0.8906 2.2016 H 0 0 0 0 0 -5.8006 -2.5929 1.9821 H 0 0 0 0 0 -6.5990 -2.5105 -0.3643 H 0 0 0 0 0 -7.0698 -0.8082 -0.1448 H 0 0 0 0 0 -8.6388 -1.4751 1.6558 H 0 0 0 0 0 -8.1679 -3.1774 1.4363 H 0 0 0 0 0 -8.9654 -3.0950 -0.9102 H 0 0 0 0 0 -9.4372 -1.3927 -0.6907 H 0 0 0 0 0 -11.0061 -2.0597 1.1099 H 0 0 0 0 0 -10.5353 -3.7620 0.8904 H 0 0 0 0 0 -11.3328 -3.6805 -1.4561 H 0 0 0 0 0 -11.8036 -1.9782 -1.2366 H 0 0 0 0 0 -13.3725 -2.6442 0.5640 H 0 0 0 0 0 -12.9017 -4.3465 0.3445 H 0 0 0 0 0 -13.7002 -4.2650 -2.0020 H 0 0 0 0 0 -14.1710 -2.5627 -1.7815 H 0 0 0 0 0 -16.1212 -4.0683 -1.5042 H 0 0 0 0 0 -15.2691 -4.9310 -0.2014 H 0 0 0 0 0 -15.7399 -3.2287 0.0191 H 0 0 0 0 0 6.7810 -2.1659 1.7570 H 0 0 0 0 0 6.7653 -1.0309 0.3866 H 0 0 0 0 0 8.9929 -0.1792 1.0654 H 0 0 0 0 0 9.0086 -1.3133 2.4369 H 0 0 0 0 0 8.8605 -3.2217 0.8594 H 0 0 0 0 0 8.8448 -2.0867 -0.5120 H 0 0 0 0 0 11.0714 -1.2340 0.1678 H 0 0 0 0 0 11.0881 -2.3690 1.5392 H 0 0 0 0 0 10.9400 -4.2765 -0.0382 H 0 0 0 0 0 10.9232 -3.1415 -1.4096 H 0 0 0 0 0 13.1509 -2.2898 -0.7298 H 0 0 0 0 0 13.1666 -3.4248 0.6406 H 0 0 0 0 0 13.0185 -5.3323 -0.9368 H 0 0 0 0 0 13.0027 -4.1973 -2.3073 H 0 0 0 0 0 15.2304 -3.3446 -1.6284 H 0 0 0 0 0 15.2461 -4.4796 -0.2570 H 0 0 0 0 0 15.0980 -6.3870 -1.8344 H 0 0 0 0 0 15.0812 -5.2521 -3.2049 H 0 0 0 0 0 16.5278 -5.3854 -2.1762 H 0 0 0 0 0 1.9579 4.3768 2.0247 H 0 0 0 0 0 1 2 1 0 0 0 1 41 1 0 0 0 1 44 1 0 0 0 1 45 1 0 0 0 2 3 1 0 0 0 2 35 1 0 0 0 2 46 1 0 0 0 3 36 1 0 0 0 3 47 1 0 0 0 3 48 1 0 0 0 4 5 1 0 0 0 4 42 1 0 0 0 4 49 1 0 0 0 4 50 1 0 0 0 5 34 1 0 0 0 5 51 1 0 0 0 5 52 1 0 0 0 6 34 1 0 0 0 6 53 1 0 0 0 6 54 1 0 0 0 6 55 1 0 0 0 7 34 1 0 0 0 7 56 1 0 0 0 7 57 1 0 0 0 7 58 1 0 0 0 8 34 1 0 0 0 8 59 1 0 0 0 8 60 1 0 0 0 8 61 1 0 0 0 9 10 1 0 0 0 9 36 1 0 0 0 9 37 2 0 0 0 10 11 1 0 0 0 10 62 1 0 0 0 10 63 1 0 0 0 11 12 1 0 0 0 11 64 1 0 0 0 11 65 1 0 0 0 12 13 1 0 0 0 12 66 1 0 0 0 12 67 1 0 0 0 13 14 1 0 0 0 13 68 1 0 0 0 13 69 1 0 0 0 14 15 1 0 0 0 14 70 1 0 0 0 14 71 1 0 0 0 15 16 1 0 0 0 15 72 1 0 0 0 15 73 1 0 0 0 16 17 1 0 0 0 16 74 1 0 0 0 16 75 1 0 0 0 17 18 1 0 0 0 17 76 1 0 0 0 17 77 1 0 0 0 18 19 1 0 0 0 18 78 1 0 0 0 18 79 1 0 0 0 19 20 1 0 0 0 19 80 1 0 0 0 19 81 1 0 0 0 20 21 1 0 0 0 20 82 1 0 0 0 20 83 1 0 0 0 21 22 1 0 0 0 21 84 1 0 0 0 21 85 1 0 0 0 22 23 1 0 0 0 22 86 1 0 0 0 22 87 1 0 0 0 23 88 1 0 0 0 23 89 1 0 0 0 23 90 1 0 0 0 24 25 1 0 0 0 24 35 1 0 0 0 24 38 2 0 0 0 25 26 1 0 0 0 25 91 1 0 0 0 25 92 1 0 0 0 26 27 1 0 0 0 26 93 1 0 0 0 26 94 1 0 0 0 27 28 1 0 0 0 27 95 1 0 0 0 27 96 1 0 0 0 28 29 1 0 0 0 28 97 1 0 0 0 28 98 1 0 0 0 29 30 1 0 0 0 29 99 1 0 0 0 29100 1 0 0 0 30 31 1 0 0 0 30101 1 0 0 0 30102 1 0 0 0 31 32 1 0 0 0 31103 1 0 0 0 31104 1 0 0 0 32 33 1 0 0 0 32105 1 0 0 0 32106 1 0 0 0 33107 1 0 0 0 33108 1 0 0 0 33109 1 0 0 0 39 43 1 0 0 0 39110 1 0 0 0 40 43 2 0 0 0 41 43 1 0 0 0 42 43 1 0 0 0 M END $$$$