RDKit 3D 123125 0 0 0 0 0 0 0 0999 V2000 -2.4309 5.4436 -1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 3.9402 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4715 3.4284 -0.0529 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4501 4.0263 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 1.9613 -0.0033 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5485 1.0969 -0.5093 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3648 0.8782 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 0.0173 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 -1.0853 -0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 0.3876 -0.2811 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 1.6469 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 1.9698 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 0.5876 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 -0.3386 -0.7517 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4074 -1.6369 -0.0295 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5923 -1.4574 1.3422 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 -2.0746 2.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -2.5364 -0.4981 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3785 -2.9372 -1.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8484 -2.3091 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2461 -2.9558 0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8428 -1.4472 -0.5875 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1679 -1.3416 0.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2513 -1.7093 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 -1.6213 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4988 -0.6097 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7558 -0.5835 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1179 -1.6152 0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 -2.6380 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0129 -2.6412 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 -0.0184 0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3823 0.8469 0.5481 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3854 1.9470 1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3204 2.1895 2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3676 0.7940 1.7982 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 -0.1450 -0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 -0.3675 -2.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3547 1.5645 1.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 1.6208 2.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 1.0684 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2806 0.6662 2.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4683 0.9750 -0.2091 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6866 0.1754 0.0954 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9090 -1.0691 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0407 -1.4647 -1.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1224 -1.8176 -0.2120 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4250 -1.8095 1.2751 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3251 -2.4171 2.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7536 -2.4978 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2391 -3.1040 -0.8106 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2454 -4.0650 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3177 -2.9821 -2.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0327 2.2778 -0.7234 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9786 2.9021 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8741 2.0114 -1.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 5.7761 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 5.9741 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 5.7801 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 3.5352 -2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 3.6951 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 3.8907 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5239 4.3535 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 5.0200 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 3.4406 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 1.7758 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 1.5264 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 1.7179 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 0.2256 1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 2.4883 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 1.6051 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 2.2950 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 2.6853 -0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 0.5016 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 0.5987 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 -0.6050 -1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 -2.2179 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 -1.9324 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 -1.7648 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5986 -3.1897 1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -3.5597 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -2.8388 -2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 -3.9833 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -2.2971 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6803 -0.8780 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 -2.1361 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 -2.7113 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2655 -0.9991 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2603 0.1959 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 0.2314 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0970 -1.5707 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5028 -3.4602 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2913 -3.4438 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 2.6831 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1518 3.0729 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 0.4503 -2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -0.5154 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 -1.3054 -2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1287 2.6577 2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 1.4615 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 0.9635 3.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9402 0.4665 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 0.6176 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9748 -1.2061 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5691 -0.7597 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1476 -1.8194 3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4061 -2.6468 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7208 -3.3987 2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4452 -2.1892 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0630 -2.1723 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6358 -3.6022 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1996 -3.6591 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3959 -4.6044 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2963 -4.8682 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9894 -3.7928 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 -2.0010 -2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3115 -3.0281 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 3.0498 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4843 2.8067 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 3.9828 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9951 2.4788 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8273 1.5301 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 1.4693 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 3.0266 -2.4229 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 23 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 6 36 1 0 36 37 1 0 5 38 1 0 38 39 1 0 38 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 46 50 1 0 50 51 1 0 50 52 1 0 42 53 1 0 53 54 1 0 53 55 1 0 14 10 1 0 30 25 1 0 35 31 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 1 4 62 1 0 4 63 1 0 4 64 1 0 5 65 1 6 6 66 1 6 7 67 1 0 7 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 6 15 76 1 1 17 77 1 0 17 78 1 0 17 79 1 0 18 80 1 1 19 81 1 0 19 82 1 0 19 83 1 0 22 84 1 0 23 85 1 1 24 86 1 0 24 87 1 0 26 88 1 0 27 89 1 0 28 90 1 0 29 91 1 0 30 92 1 0 33 93 1 0 34 94 1 0 37 95 1 0 37 96 1 0 37 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 42101 1 6 43102 1 0 46103 1 6 47104 1 1 48105 1 0 48106 1 0 48107 1 0 49108 1 0 49109 1 0 49110 1 0 51111 1 0 51112 1 0 51113 1 0 52114 1 0 52115 1 0 52116 1 0 53117 1 6 54118 1 0 54119 1 0 54120 1 0 55121 1 0 55122 1 0 55123 1 0 M END