HMDB0299749 RDKit 3D DG(i-18:0/0:0/PGF1alpha) 125125 0 0 0 0 0 0 0 0999 V2000 15.7941 1.0963 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5366 -0.2012 -1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1946 -0.7497 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9971 0.0019 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 1.3623 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4557 1.9192 -1.1601 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2446 3.1924 -0.6488 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3005 1.0394 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1643 0.4106 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 -0.4900 0.5608 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6146 -1.8102 1.0087 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7228 -2.8274 0.7246 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 -1.6295 2.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 -1.1024 2.7352 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3947 -2.1272 2.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2371 0.0530 1.7376 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9149 0.6624 1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -0.0481 1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -0.6284 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -1.2845 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 -0.4187 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 0.7783 -1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 1.6065 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 1.6602 -2.9036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 2.3043 -0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 3.0923 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 2.2525 -1.2100 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8209 2.9685 -1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 1.0358 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 0.1618 -0.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 -1.0060 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 -1.2994 0.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 -1.9038 -0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4757 -1.5332 -0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6137 -1.6220 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9885 -1.2740 1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0233 -2.2113 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4267 -1.8986 1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8586 -0.5107 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7815 -0.4096 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6514 -1.4141 -1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1231 -1.3035 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6270 0.0368 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0997 0.2058 -1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4432 0.1049 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9356 0.2808 0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4168 1.6195 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7400 2.7694 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9219 1.6964 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8454 1.9663 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8182 1.0269 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1245 1.2987 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7669 -0.1387 -2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2887 -0.9711 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1077 -1.7764 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1342 -0.9937 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0997 -0.6291 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8961 0.0561 -2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7277 1.3887 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5357 2.1222 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5455 2.0121 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2555 3.1671 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4924 0.8748 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8691 0.4776 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4214 -0.5798 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 -1.9432 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 -3.3089 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 -2.5750 3.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4068 -0.8350 2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0844 -0.7387 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 -2.3882 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 0.7972 2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 1.6035 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7133 1.1852 2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 -0.7574 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 0.7396 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -1.5220 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 0.0383 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2743 -2.1485 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -1.7136 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -1.0258 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 -0.1069 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7888 0.4806 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 1.3891 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 3.9167 -1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 3.5678 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 1.8509 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 2.4838 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 1.3358 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 0.4886 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -2.9499 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -1.9304 -1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2205 -2.1709 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -0.4761 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8724 -0.9476 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -2.6514 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2149 -0.2157 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9526 -1.4322 2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9712 -2.2347 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8154 -3.2562 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4003 -1.9057 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1254 -2.6594 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2384 0.2762 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9134 -0.3844 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7209 -0.4941 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0917 0.6180 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5559 -1.2882 -2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3334 -2.4588 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6284 -2.1065 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3237 -1.3933 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0826 0.8795 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4517 0.1917 -2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4339 1.1676 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6041 -0.6088 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8717 0.7908 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2263 -0.9392 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1361 0.1734 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4887 -0.5040 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3176 1.6871 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2143 2.4652 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0552 3.2635 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5004 3.5273 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4063 2.3983 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3808 0.7089 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0752 2.1368 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 47 49 1 0 16 10 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 6 11 66 1 6 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 1 15 71 1 0 16 72 1 1 17 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 6 28 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 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 47119 1 0 48120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 M END