RDKit 3D 111113 0 0 0 0 0 0 0 0999 V2000 -5.4233 1.0877 1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6102 0.9297 0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3467 0.2499 -0.7080 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6186 0.1400 -1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6151 -1.0453 -0.6435 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3043 -2.0241 0.1721 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9486 -3.1681 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6212 -4.0960 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9608 -3.4188 -1.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2013 -0.9065 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6471 -1.5027 0.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 -0.0972 -1.1497 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 0.0464 -0.8901 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1092 -0.7769 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 -0.9852 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -2.2934 -1.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -2.7973 -0.7557 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -3.3075 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 -4.1571 -0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -2.9007 -2.0469 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9415 -3.9277 -2.4327 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7845 -3.3813 -3.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 -4.2593 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 -1.5705 -1.9277 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -0.5493 -1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 0.5119 -1.5523 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -0.4167 0.4135 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6674 -1.2669 0.8992 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8766 -0.7742 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 -0.8818 2.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9899 -1.6090 3.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 -0.6636 1.2502 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.2487 1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -0.0120 3.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 1.4514 1.3264 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7509 2.6015 1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 2.8863 2.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 2.6800 3.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0101 2.1082 2.3545 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3952 2.0894 2.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 1.7262 3.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 2.4069 1.2675 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7170 3.8883 1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 4.3692 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 4.9290 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 5.3910 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 5.2948 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 4.7363 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0158 4.2748 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 2.2895 -0.0793 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 1.4455 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 1.9200 -2.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 0.1593 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5092 1.3123 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5994 1.9124 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 0.4218 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0246 1.9707 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6916 0.9478 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1827 -0.7888 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3171 0.9760 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3808 0.2333 -2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6807 -1.4718 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3014 -1.8284 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7249 -3.9355 0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 -3.8432 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3549 -5.1463 0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 0.4347 -1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -0.3488 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 -1.7564 -1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -0.2096 -2.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 -0.9311 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 -0.1815 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 -2.2266 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 -3.0192 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 -2.7845 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2291 -2.8554 -2.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 -4.8665 -2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -2.7814 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 -2.7965 -4.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 -4.2136 -4.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 -4.9689 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -3.3610 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 -4.8163 -0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -1.3927 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 0.6275 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -2.3283 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 -1.5712 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6379 -0.5104 -0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2964 0.1575 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -1.0949 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0693 0.2281 2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 -2.0617 3.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3902 -2.4550 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8122 -0.9112 3.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1408 -1.7125 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 1.1632 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 2.4971 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0883 3.4645 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 2.0890 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 3.9003 2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 2.0374 4.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6903 3.6459 3.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 1.7884 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 3.9987 2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7325 4.4338 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1661 4.9993 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 5.8314 -2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 5.6512 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 4.6544 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3592 3.8373 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 2.8828 -0.4332 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 7 9 2 0 5 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 20 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 27 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 42 50 1 0 50 51 1 0 51 52 2 0 51 13 1 0 39 35 1 0 49 44 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 6 4 59 1 0 4 60 1 0 4 61 1 0 5 62 1 6 6 63 1 0 8 64 1 0 8 65 1 0 8 66 1 0 12 67 1 0 13 68 1 1 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 20 76 1 6 21 77 1 6 22 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 27 85 1 6 28 86 1 1 29 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 35 96 1 6 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 42103 1 6 43104 1 0 43105 1 0 45106 1 0 46107 1 0 47108 1 0 48109 1 0 49110 1 0 50111 1 0 M END