HMDB0061609 RDKit 3D PS(MonoMe(11,5)/DiMe(9,3)) 135136 0 0 0 0 0 0 0 0999 V2000 2.6569 -7.1435 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -6.3274 -2.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -6.9153 -3.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 -6.1598 -3.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -4.7303 -3.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9983 -3.9249 -3.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 -2.5802 -4.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -2.2146 -3.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 -0.8248 -4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -3.3459 -3.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 -3.4532 -3.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -3.0492 -1.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5387 -1.6402 -1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9904 -1.3568 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6778 0.0389 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1558 0.1743 1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8998 1.5174 2.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 1.8779 2.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 0.8392 3.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 1.1769 3.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4028 0.1240 3.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0117 -0.8814 4.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 0.1960 4.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -0.8093 4.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1519 -0.3683 4.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 -1.4164 5.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3399 -1.0516 5.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3555 -2.2254 6.0077 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2811 -1.6374 7.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 -3.4260 6.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2685 -2.8993 4.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 -1.9742 3.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -2.5002 2.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 -3.7091 2.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5371 -2.7846 2.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0175 -3.9273 2.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3338 -1.7641 3.3933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 -0.2128 3.4098 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 1.0429 2.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 2.0095 3.7256 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 1.3183 1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 0.0949 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 -0.8657 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 -0.6217 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 -0.4788 -1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 0.5310 -2.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 1.9282 -2.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 2.6892 -1.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9883 4.1070 -1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 5.2021 -1.6692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 6.2471 -1.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 7.6324 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 8.1630 -3.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 8.1831 -4.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 5.8157 -2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7037 6.5739 -2.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 4.4217 -1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4621 3.4769 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1753 -4.3257 -3.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 -7.3600 -4.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5401 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39 1 0 39 40 2 0 39 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 53 54 1 0 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 10 59 1 0 59 6 1 0 57 49 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 24 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 30100 1 0 32101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 58133 1 0 58134 1 0 58135 1 0 M END