HMDB0061530 RDKit 3D PE(MonoMe(11,5)/MonoMe(11,3)) 135136 0 0 0 0 0 0 0 0999 V2000 16.5493 -0.0165 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0338 0.0025 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 -0.8749 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4833 -1.0082 2.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3678 -1.6002 1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9181 -0.9770 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1915 -1.2125 -1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4850 -0.3154 -2.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 -0.1609 -3.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7914 0.4534 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8729 1.5768 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5480 1.1062 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 0.2174 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 0.8707 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7351 0.0325 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 -0.1405 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 -0.4459 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 0.6901 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 0.1887 -2.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 -0.3534 -1.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 0.6383 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 1.1875 -1.8182 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 0.9628 0.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 1.8351 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.4845 1.1766 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5952 0.0683 1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -0.8270 0.9218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -2.4117 1.4366 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6614 -2.6167 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -2.8293 1.6001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 -3.4813 0.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -2.9036 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 -3.9341 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -4.3070 -2.2972 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 1.4266 0.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 2.0331 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 2.6188 1.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 2.0121 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 0.6629 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0654 0.2566 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 1.1246 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2934 1.2897 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9223 -0.0348 -1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4814 -0.7688 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5508 0.0325 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0107 -0.8190 2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0799 -0.1537 2.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2831 0.1186 2.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6559 1.2697 1.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7698 1.1646 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4582 2.3063 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7258 1.8078 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4213 2.9743 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1597 -0.1586 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2132 -0.8278 1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2073 -2.2746 1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0674 0.0405 0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0647 0.6496 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6868 0.3935 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8934 -1.0538 0.0522 H 0 0 0 0 0 0 0 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0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 50 54 2 0 54 55 1 0 55 56 1 0 10 57 1 0 57 6 1 0 55 48 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 7 69 1 0 9 70 1 0 9 71 1 0 9 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 0 24 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 M END