HMDB0264439 RDKit 3D PA(PGF2alpha/19:0) 131131 0 0 0 0 0 0 0 0999 V2000 15.2170 2.9830 1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2315 1.4960 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1303 0.7698 1.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7605 1.2600 1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3859 1.1400 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4146 -0.2664 -0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4925 -1.1972 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0438 -0.8582 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5526 -0.8303 -1.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0814 -0.5116 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 0.8227 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 1.0790 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3738 0.0602 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8986 0.3688 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.3640 -1.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -0.7746 -2.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 -2.1154 -2.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 -2.9821 -1.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 -2.5547 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 -2.6684 0.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -1.9749 -0.6704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 -1.5148 0.2905 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7949 -2.3414 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -1.8096 1.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9488 -2.4332 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -3.4289 0.6617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 -1.8774 2.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1791 -2.6473 2.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8203 -2.5069 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1397 -1.0670 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6007 -0.4527 -0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 0.9587 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9064 1.5849 0.2243 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1586 3.0251 -0.1193 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9750 3.7663 -0.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8705 2.9859 -1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6437 1.7144 -1.4400 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3757 0.9731 -2.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2268 0.9340 -0.2036 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2126 1.0419 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7185 -0.0823 1.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6881 0.0577 2.5339 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3356 1.2244 3.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0951 0.1347 2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6970 -0.9988 1.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1610 -1.3927 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2336 -0.2819 -0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6830 -0.8019 -2.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 -0.0900 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 0.4300 0.8898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 2.0220 0.5129 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0400 2.8638 0.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 2.0505 -0.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 2.7288 1.7683 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2564 3.3868 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1684 3.0781 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0937 3.4955 0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2001 1.4053 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1943 1.0388 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2057 -0.3257 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2769 1.0084 2.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0431 0.5917 1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5587 2.2800 1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3469 1.5756 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0121 1.7654 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 -0.2320 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4427 -0.6700 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6174 -2.2027 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 -1.2904 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7808 0.0817 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4859 -1.6745 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1281 -0.0920 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7396 -1.8108 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5594 -1.3072 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7994 -0.5609 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 1.6139 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9187 0.8807 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 2.0700 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0119 1.1845 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6045 -0.9864 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 0.1931 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 1.5099 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 -0.0683 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.3347 -2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 0.5885 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -0.9300 -2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5944 -0.3721 -3.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 -2.1217 -3.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6681 -2.6986 -3.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -2.9849 -1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -4.0673 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -1.6563 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 -3.3942 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -2.2806 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 -1.9682 3.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0349 -0.8032 2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -3.7024 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8829 -2.1931 3.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2768 -2.9358 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8191 -3.0252 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8265 -0.5367 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9105 -1.0125 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1557 1.0625 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 1.5569 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7111 1.4835 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 3.4428 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1901 4.7352 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1125 2.9975 -2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5421 3.8832 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7277 1.9243 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9772 1.2844 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1168 -0.1158 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5515 1.9819 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3757 -1.0409 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5404 -0.8114 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0292 1.9043 3.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7180 0.2786 3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3028 1.1049 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6124 -1.9021 2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8104 -0.8306 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8728 -2.2048 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1946 -1.8830 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5966 0.5757 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2649 0.0803 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7223 -1.9156 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6644 -0.4611 -2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3645 -0.4868 -3.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 0.6108 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -0.0016 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 1.1774 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 2.0116 2.3344 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 39 33 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 22 92 1 1 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 1 34106 1 1 35107 1 0 36108 1 0 36109 1 0 37110 1 1 38111 1 0 39112 1 6 40113 1 0 41114 1 0 42115 1 1 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 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 53130 1 0 54131 1 0 M END