RDKit 3D 125126 0 0 0 0 0 0 0 0999 V2000 8.7213 1.9885 -2.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4216 1.1027 -1.1947 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8835 -0.1454 -1.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7653 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 0.0583 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 -0.2200 -1.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -0.2944 0.3388 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -0.9868 -0.1287 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8663 -0.0929 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 1.1462 -0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -0.5989 0.2087 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.3058 0.2951 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1487 0.5395 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 -0.1604 2.6327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 1.4839 2.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 2.7277 1.5454 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1705 3.5426 1.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 4.8343 0.7737 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1131 5.8402 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 4.6272 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 3.4476 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 4.0503 3.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 3.4453 2.0272 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 4.5069 2.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7805 3.7942 2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 2.3509 2.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 2.3354 1.4300 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4458 2.5339 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 3.7016 -0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9494 1.5860 -0.8992 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1126 0.7442 -0.6961 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3857 1.5982 -0.6295 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6213 0.7913 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5618 2.3428 -1.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2489 -0.2477 -1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2892 -0.0916 -2.5491 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -1.2891 -2.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 -2.3430 -1.2395 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8217 -3.4989 -1.4754 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2159 -3.0574 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 -4.7548 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -2.6677 -1.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 -2.2103 -2.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -3.4220 -0.8686 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -3.4696 0.5327 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6948 -4.8128 0.9257 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6296 -4.9881 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -5.9852 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3024 -2.4651 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -2.5204 2.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -1.7035 0.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -0.3845 -0.3248 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4409 -0.2849 -1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 -2.3077 0.5647 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6771 -2.2273 2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -3.1347 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3848 1.4194 -3.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3601 2.8471 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7966 2.3763 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2951 1.6567 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3716 -1.0480 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9818 -0.3080 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7506 -0.0787 -3.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0291 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2555 1.6355 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -0.0564 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1756 -1.1686 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4255 -1.6251 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 1.2222 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 1.2990 3.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 2.4321 0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 3.8363 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 3.0078 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0961 5.3081 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 6.7518 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 5.5921 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 6.2394 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 3.8083 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 4.4937 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 5.5443 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 5.1768 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 5.0847 3.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 4.0690 3.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3988 4.0804 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 1.6388 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0376 2.0719 3.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 1.3688 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 1.4462 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 0.1290 0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3421 2.3766 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4085 -0.1953 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1732 0.6239 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3805 1.3575 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8374 3.4108 -1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 2.3654 -2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4237 1.9284 -2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -1.3256 -3.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 -2.0132 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8618 -3.7287 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8057 -3.8872 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8017 -2.7157 -1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2213 -2.2306 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 -4.5492 0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4379 -5.3448 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7983 -5.4210 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 -4.0623 -1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -3.3277 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 -4.8320 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -4.0256 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 -5.4877 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 -5.6685 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9791 -6.8896 0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 -6.0300 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -6.1612 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 0.1593 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 -0.0044 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -1.2990 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 0.4478 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0174 -2.8826 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -3.0411 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2732 -1.2617 2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 -2.4651 2.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5203 -2.9152 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -4.2055 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -2.8051 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 16 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 31 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 38 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 45 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 8 54 1 0 54 55 1 0 54 56 1 0 52 12 1 0 27 23 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 1 3 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 7 66 1 0 8 67 1 6 11 68 1 0 12 69 1 6 15 70 1 0 16 71 1 6 17 72 1 0 17 73 1 0 18 74 1 6 19 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 6 30 88 1 0 31 89 1 1 32 90 1 1 33 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 34 96 1 0 37 97 1 0 38 98 1 1 39 99 1 6 40100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 41105 1 0 44106 1 0 45107 1 1 46108 1 1 47109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 48114 1 0 52115 1 6 53116 1 0 53117 1 0 53118 1 0 54119 1 6 55120 1 0 55121 1 0 55122 1 0 56123 1 0 56124 1 0 56125 1 0 M END