HMDB0061585 RDKit 3D PS(DiMe(9,3)/MonoMe(11,5)) 135136 0 0 0 0 0 0 0 0999 V2000 -5.7438 -4.5925 5.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4627 -4.0039 4.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -4.1623 5.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -3.5649 5.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -3.7153 6.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -3.1173 5.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -3.7033 4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -2.7157 4.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -2.9917 3.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 -1.5603 4.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 -0.1861 4.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 0.5378 3.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -0.0003 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 0.0619 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 1.5693 1.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4673 1.6232 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9727 1.0437 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 1.4648 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 1.8708 -1.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 3.1991 -1.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 3.8193 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 4.3966 0.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 3.8661 -0.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4236 4.4745 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 3.5441 1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 2.7844 0.7865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 1.8715 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 1.6702 -0.7684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 1.1139 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 0.2128 -1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.9639 -3.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 0.0090 -4.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -0.8381 -3.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 -1.7535 -4.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -2.7289 -5.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 -3.6423 -4.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 -4.5949 -4.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 -5.8424 -4.8491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -6.4104 -5.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -7.8169 -5.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -8.6793 -4.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 -8.3158 -3.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -5.4652 -4.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6841 -5.5852 -5.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5378 -4.3096 -4.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -3.0389 -4.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 5.6813 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 5.3278 -0.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 6.6620 -1.3874 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2769 6.2513 -2.4176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 7.7384 -2.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 7.4676 -0.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 6.8638 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 7.6546 1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9253 7.0732 1.9834 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8586 9.0776 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 9.7056 0.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0825 9.7419 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -1.8555 5.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7256 -5.6977 5.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5546 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40 1 0 40 41 1 0 41 42 1 0 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 2 0 56 58 1 0 10 59 1 0 59 6 1 0 45 37 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 7 71 1 0 9 72 1 0 9 73 1 0 9 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 44121 1 0 44122 1 0 44123 1 0 46124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 51129 1 0 53130 1 0 53131 1 0 54132 1 0 55133 1 0 55134 1 0 58135 1 0 M END