HMDB0061593 RDKit 3D PS(DiMe(9,5)/MonoMe(11,3)) 135136 0 0 0 0 0 0 0 0999 V2000 -15.3208 3.4165 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1859 2.8030 -2.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7903 1.9061 -1.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6800 1.3004 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7178 0.4613 -1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6992 -0.0447 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4735 0.3505 -0.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8887 -0.3203 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4567 -0.1482 0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5123 0.5750 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3088 0.8460 2.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2193 1.6751 2.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 1.2506 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -0.0924 1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 -0.0456 2.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 0.9781 2.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 0.6604 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 1.5690 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 -0.5469 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 -0.9303 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.9769 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -2.0347 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -2.1373 1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -3.2493 2.1874 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8931 -2.7675 2.7546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -3.2208 3.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 -4.7993 1.6182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 -4.9225 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0884 -6.3888 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -7.1533 0.3958 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -6.6309 -1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -6.0919 -2.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 -7.4994 -2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 0.2499 0.2276 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 0.8719 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 0.2766 -1.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 2.1687 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8568 2.5246 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 1.5378 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 1.8834 -0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 1.9125 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 2.2773 -2.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7896 1.3233 -2.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1682 1.7077 -2.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5628 3.0824 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 3.2217 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 2.3080 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 1.2220 0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2464 0.6310 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2456 -0.6168 1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3747 -1.8317 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6679 -1.7399 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3440 1.3910 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8796 2.4494 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6805 3.5281 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7790 -1.2509 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6166 -2.2641 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9489 -1.0733 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2201 -1.8535 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2451 4.5255 -3.6842 H 0 0 0 0 0 0 0 0 0 0 0 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35 37 1 0 37 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 49 53 2 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 54 47 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 9 71 1 0 9 72 1 0 10 73 1 0 10 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 20 87 1 0 20 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 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 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 53126 1 0 55127 1 0 55128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 M END