RDKit 3D 102113 0 0 0 0 0 0 0 0999 V2000 4.0970 2.4337 2.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 1.6732 2.1489 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 2.3130 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5606 1.2609 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -0.0162 0.5454 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2154 -0.8535 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -2.1608 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 -2.9511 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 -2.4756 -1.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -1.1635 -1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -0.3584 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 0.8940 -0.4124 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 0.9594 -1.2169 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3954 1.6797 -2.4104 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 2.2979 -2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3068 0.8070 -3.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 -0.4938 -3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 -0.4523 -1.5937 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2986 -1.0807 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -2.2035 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 -2.7760 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5813 -2.2581 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -1.1386 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 -0.5629 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 0.5812 -1.8358 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 0.8248 -1.6577 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0325 0.7531 -2.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 1.5785 -3.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -0.6756 -3.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -1.1700 -1.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8905 -0.3487 -0.8634 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7765 0.1270 0.2002 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8794 1.0084 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1349 0.1592 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7362 -1.1566 0.0646 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8053 -1.7267 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6413 -0.8290 0.9308 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2019 0.0888 1.9621 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 0.8299 2.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7528 1.4404 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 2.1119 3.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 2.1514 2.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 1.5456 1.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 0.8759 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.7945 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4112 -1.2081 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4777 -1.9221 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5443 -2.2473 1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 -1.8283 2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 -1.1070 2.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 -0.5709 2.7979 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 0.3585 1.9144 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1084 1.9370 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3317 2.4468 3.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 3.4596 2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 2.9074 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 3.0330 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 1.4348 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 1.2184 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 -2.5991 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -3.9740 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -3.0751 -2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 1.6586 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3104 1.4103 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6489 3.1071 -3.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 1.5796 -2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 2.7369 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 1.2839 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 0.6463 -4.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 -0.7042 -3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -1.3417 -3.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7893 -2.6407 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 -3.6721 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 -2.7687 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3349 1.1762 -2.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 1.8064 -1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 2.2928 -3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 2.2273 -4.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 1.0401 -4.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 -0.9373 -3.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -0.9900 -4.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 -2.2453 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6728 -1.0509 -1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 1.4165 -1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0879 1.8697 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9011 0.5344 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 0.1287 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6017 -0.9631 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2757 -2.6072 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4335 -2.1001 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2092 -1.6381 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1646 0.1488 2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4907 1.3774 4.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3421 2.5896 4.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 2.6854 2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 1.6246 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4241 -0.9880 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2927 -2.2520 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3807 -2.8089 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5621 -2.0825 3.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -0.8116 3.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 0.2492 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 52 1 0 52 51 1 0 51 50 1 0 50 49 2 0 49 48 1 0 48 47 2 0 47 46 1 0 46 45 2 0 5 6 1 6 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 31 30 1 6 31 32 1 0 32 33 1 6 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 52 2 1 0 45 50 1 0 11 6 1 0 18 13 1 0 24 19 1 0 31 26 1 0 37 32 1 0 44 39 1 0 45 5 1 0 18 10 1 0 31 23 1 0 44 32 1 0 1 53 1 0 1 54 1 0 1 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 52102 1 6 51101 1 0 49100 1 0 48 99 1 0 47 98 1 0 46 97 1 0 7 60 1 0 8 61 1 0 9 62 1 0 12 63 1 0 13 64 1 1 15 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 20 72 1 0 21 73 1 0 22 74 1 0 25 75 1 0 26 76 1 1 28 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 36 88 1 0 36 89 1 0 36 90 1 0 37 91 1 1 38 92 1 0 40 93 1 0 41 94 1 0 42 95 1 0 43 96 1 0 M END