00L Converted by convert_cif2sdf.py 2024/03/29 11:09:15 84 87 0 0 0 0 0 0 0 0999 V2000 2.0274 2.4211 1.0985 C 0 0 0 0 0 3.1259 3.4727 -0.6588 N 0 0 0 0 0 3.2178 0.0777 0.1451 O 0 0 0 0 0 1.7758 3.9441 1.2107 C 0 0 0 0 0 2.9283 2.2558 -0.0537 N 0 0 0 0 0 0.5605 1.0874 -0.1823 O 0 0 0 0 0 2.9699 4.5083 0.3921 C 0 0 0 0 0 3.9205 0.0843 -2.6033 N 0 0 0 0 0 4.4748 3.5204 -1.2403 C 0 0 0 0 0 4.6094 2.3990 -2.2707 C 0 0 0 0 0 4.4376 1.0362 -1.6109 C 0 0 0 0 0 3.4879 1.0982 -0.4510 C 0 0 0 0 0 0.7298 1.6932 0.8546 C 0 0 0 0 0 5.7995 0.5479 -1.1124 C 0 0 0 0 0 5.6687 -0.8607 -0.5923 C 0 0 0 0 0 5.3686 -1.0796 0.7398 C 0 0 0 0 0 5.2435 -2.3710 1.2167 C 0 0 0 0 0 5.4286 -3.4435 0.3643 C 0 0 0 0 0 5.7337 -3.2247 -0.9659 C 0 0 0 0 0 5.8538 -1.9322 -1.4447 C 0 0 0 0 0 -2.6130 1.6530 2.3829 C 0 0 0 0 0 -0.2407 1.7162 1.7884 N 0 0 0 0 0 -2.3337 1.4731 3.7732 O 0 0 0 0 0 -1.5018 1.0086 1.5524 C 0 0 0 0 0 -1.3476 -0.4584 1.9585 C 0 0 0 0 0 -0.1707 -2.6035 1.4507 C 0 0 0 0 0 0.8080 -3.2522 0.5744 N 0 0 0 0 0 -0.3248 -1.1366 1.0446 C 0 0 0 0 0 1.1136 -4.5813 0.7511 C 0 0 0 0 0 -4.5260 0.3678 2.8905 O 0 0 0 0 0 -3.9319 1.0061 2.0478 C 0 0 0 0 0 0.5326 -5.2635 1.6974 N 0 0 0 0 0 2.0324 -5.1903 -0.0704 N 0 0 0 0 0 -7.4109 0.1576 -1.3078 C 0 0 0 0 0 -8.5899 0.8528 -1.1164 C 0 0 0 0 0 -9.7996 0.2557 -1.4181 C 0 0 0 0 0 -9.8304 -1.0345 -1.9131 C 0 0 0 0 0 -8.6514 -1.7296 -2.1035 C 0 0 0 0 0 -7.4407 -1.1336 -1.8009 C 0 0 0 0 0 -6.0920 0.8045 -0.9728 C 0 0 0 0 0 -5.7323 0.5057 0.4850 C 0 0 0 0 0 -4.4507 1.1353 0.8103 N 0 0 0 0 0 2.5029 2.0500 2.0057 H 0 0 0 0 0 0.8245 4.2196 0.7550 H 0 0 0 0 0 1.8211 4.2741 2.2487 H 0 0 0 0 0 3.8669 4.5778 1.0078 H 0 0 0 0 0 2.7224 5.4751 -0.0458 H 0 0 0 0 0 3.7956 -0.8304 -2.1957 H 0 0 0 0 0 3.0607 0.4189 -3.0113 H 0 0 0 0 0 4.6289 4.4832 -1.7268 H 0 0 0 0 0 5.2165 3.3834 -0.4538 H 0 0 0 0 0 3.8466 2.5242 -3.0391 H 0 0 0 0 0 5.5954 2.4523 -2.7330 H 0 0 0 0 0 6.5146 0.5657 -1.9356 H 0 0 0 0 0 6.1495 1.2000 -0.3127 H 0 0 0 0 0 5.2277 -0.2416 1.4061 H 0 0 0 0 0 5.0037 -2.5420 2.2556 H 0 0 0 0 0 5.3347 -4.4526 0.7368 H 0 0 0 0 0 5.8786 -4.0618 -1.6323 H 0 0 0 0 0 6.0926 -1.7612 -2.4837 H 0 0 0 0 0 -0.1055 2.2000 2.6178 H 0 0 0 0 0 -1.7583 1.0667 0.4940 H 0 0 0 0 0 -1.0044 -0.5159 2.9912 H 0 0 0 0 0 -2.3088 -0.9644 1.8664 H 0 0 0 0 0 -1.1318 -3.1086 1.3585 H 0 0 0 0 0 0.1716 -2.6600 2.4833 H 0 0 0 0 0 1.2409 -2.7440 -0.1288 H 0 0 0 0 0 -0.6681 -1.0801 0.0110 H 0 0 0 0 0 0.6363 -0.6306 1.1358 H 0 0 0 0 0 0.7478 -6.2015 1.8217 H 0 0 0 0 0 2.4654 -4.6821 -0.7746 H 0 0 0 0 0 2.2477 -6.1272 0.0539 H 0 0 0 0 0 -2.6627 2.7187 2.1580 H 0 0 0 0 0 -2.2740 0.5479 4.0461 H 0 0 0 0 0 -8.5662 1.8598 -0.7264 H 0 0 0 0 0 -10.7217 0.7995 -1.2690 H 0 0 0 0 0 -10.7761 -1.4998 -2.1502 H 0 0 0 0 0 -8.6751 -2.7377 -2.4906 H 0 0 0 0 0 -6.5196 -1.6763 -1.9509 H 0 0 0 0 0 -5.3148 0.4079 -1.6265 H 0 0 0 0 0 -6.1698 1.8831 -1.1133 H 0 0 0 0 0 -5.6545 -0.5719 0.6256 H 0 0 0 0 0 -6.5094 0.9032 1.1388 H 0 0 0 0 0 -3.9755 1.6455 0.1357 H 0 0 0 0 0 21 24 1 0 0 0 22 13 1 0 0 0 22 61 1 0 0 0 23 21 1 0 0 0 1 5 1 0 0 0 1 43 1 0 0 0 2 5 1 0 0 0 2 9 1 0 0 0 4 1 1 0 0 0 4 7 1 0 0 0 4 44 1 0 0 0 4 45 1 0 0 0 5 12 1 0 0 0 6 13 2 0 0 0 7 2 1 0 0 0 7 46 1 0 0 0 7 47 1 0 0 0 8 11 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 9 10 1 0 0 0 9 50 1 0 0 0 9 51 1 0 0 0 10 11 1 0 0 0 10 52 1 0 0 0 10 53 1 0 0 0 11 14 1 0 0 0 12 3 2 0 0 0 12 11 1 0 0 0 13 1 1 0 0 0 14 15 1 0 0 0 14 54 1 0 0 0 14 55 1 0 0 0 24 22 1 0 0 0 24 25 1 0 0 0 24 62 1 0 0 0 25 28 1 0 0 0 25 63 1 0 0 0 25 64 1 0 0 0 26 27 1 0 0 0 26 65 1 0 0 0 26 66 1 0 0 0 27 29 1 0 0 0 27 67 1 0 0 0 28 26 1 0 0 0 28 68 1 0 0 0 28 69 1 0 0 0 29 32 2 0 0 0 29 33 1 0 0 0 15 20 2 0 0 0 15 16 1 0 0 0 20 19 1 0 0 0 20 60 1 0 0 0 19 18 2 0 0 0 19 59 1 0 0 0 18 58 1 0 0 0 17 18 1 0 0 0 17 57 1 0 0 0 16 17 2 0 0 0 16 56 1 0 0 0 34 35 1 0 0 0 34 40 1 0 0 0 42 31 1 0 0 0 42 84 1 0 0 0 39 34 2 0 0 0 39 79 1 0 0 0 38 39 1 0 0 0 38 37 2 0 0 0 38 78 1 0 0 0 37 36 1 0 0 0 37 77 1 0 0 0 36 35 2 0 0 0 36 76 1 0 0 0 35 75 1 0 0 0 40 41 1 0 0 0 40 80 1 0 0 0 40 81 1 0 0 0 41 42 1 0 0 0 41 82 1 0 0 0 41 83 1 0 0 0 31 21 1 0 0 0 31 30 2 0 0 0 32 70 1 0 0 0 33 71 1 0 0 0 33 72 1 0 0 0 21 73 1 0 0 0 23 74 1 0 0 0 M END $$$$