HMDB0280584 RDKit 3D PIP(PGE1/22:4(7Z,10Z,13Z,16Z)) 158159 0 0 0 0 0 0 0 0999 V2000 16.2684 2.0054 2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4085 1.4594 1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9365 0.5163 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2187 -0.6442 1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7422 -1.6154 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0448 -2.7480 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8078 -3.0841 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9263 -2.3489 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6945 -1.8527 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 -2.2368 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1955 -3.1577 -1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4114 -2.7796 -2.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8923 -1.6378 -2.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9356 -0.4171 -1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 0.2048 -1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5438 -0.2364 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -1.4755 -1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -2.3763 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 -1.9860 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0365 -0.7284 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -0.7379 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 -0.8359 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 -1.9865 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 0.3098 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 0.1789 -1.1099 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1605 0.9098 -2.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 2.1183 -2.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 3.3465 -2.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3435 4.1709 -1.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 3.7728 -3.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 4.4421 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0003 4.6112 -3.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2088 3.8069 -3.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7748 4.5103 -1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1994 4.2901 -1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5658 3.2969 -0.5876 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7403 1.9399 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 1.5044 -1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7788 0.9534 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4344 -0.4676 -0.8748 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5303 -0.6292 -1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0368 -1.3092 0.3135 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1516 -1.7707 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3804 -1.3058 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4692 -1.8508 1.8989 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6170 -1.0723 1.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7608 -3.2914 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2182 -3.7835 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2964 -3.5884 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8724 -4.1687 -2.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1763 -3.5279 -2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8542 -0.8267 1.0558 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8325 -0.3944 0.1882 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 0.0541 2.2485 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9593 -0.7089 3.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2196 -0.4413 4.4918 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.7274 -0.0504 5.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0423 -1.9029 4.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3176 0.7093 3.9872 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9018 1.0620 2.3934 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0195 1.1256 1.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 0.9775 1.8141 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1796 1.9428 2.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 -0.5694 2.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 1.4180 0.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 0.6527 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2902 2.4290 2.7796 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7066 2.4021 4.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2241 3.1939 1.9173 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5208 4.3562 2.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 3.5531 0.5765 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5174 4.9692 0.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5856 2.6097 1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7263 1.2460 2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7249 2.6886 3.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1442 0.9453 2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8966 2.3242 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2470 1.0217 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8276 0.1096 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9214 -1.2174 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3622 -0.3423 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6883 -2.0363 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2733 -1.0376 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 -3.3945 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3623 -3.9744 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4635 -1.3823 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7060 -2.8168 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7894 -1.1519 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6475 -1.8250 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 -3.7712 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5801 -4.0256 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 -3.6355 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3717 -1.6194 -3.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8064 -0.2855 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2934 0.4106 -2.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 1.2102 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 0.4611 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 -2.0649 -2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1235 -1.1058 -2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 -2.6170 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 -3.4012 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -2.8126 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3056 -2.0048 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 0.1683 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -0.6345 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 0.1743 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -1.5924 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 -0.9196 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 1.0757 -3.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 0.2656 -3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 2.9372 -3.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 4.5158 -3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 3.8019 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 5.4090 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2537 5.7083 -3.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6405 4.2950 -4.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9772 3.8126 -3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 2.7890 -2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6311 5.6050 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 4.2950 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6749 3.9029 -2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7089 5.2644 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6001 3.6355 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1049 1.1175 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7043 1.2699 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3764 -0.9522 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -1.5176 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6481 -2.2838 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9886 -2.5734 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6425 -0.5111 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1126 -1.6918 2.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3858 -1.6910 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8747 -3.9304 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5091 -3.5571 2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2617 -3.4469 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3481 -4.9081 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3399 -4.0987 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1378 -2.4930 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1279 -3.9233 -2.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9824 -5.2528 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9920 -3.9183 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1325 -2.4358 -2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4435 -3.8645 -3.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3611 -1.7825 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6991 -1.1404 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0058 0.4912 2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6761 -1.7807 5.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9578 0.3620 3.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 0.7006 3.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 -1.2646 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.2135 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 1.2947 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 3.0279 2.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9287 2.2240 4.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2321 2.7526 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9639 4.0084 3.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 3.1630 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9804 5.1570 1.4086 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 42 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 54 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 62 65 1 0 65 66 1 0 60 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 71 1 0 71 72 1 0 66 25 1 0 71 36 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 20104 1 0 20105 1 0 21106 1 0 21107 1 0 25108 1 6 26109 1 0 26110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 1 39124 1 0 39125 1 0 40126 1 6 41127 1 0 42128 1 6 43129 1 0 44130 1 0 45131 1 1 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 51143 1 0 52144 1 1 53145 1 0 54146 1 6 58147 1 0 59148 1 0 60149 1 1 64150 1 0 66151 1 0 66152 1 0 67153 1 1 68154 1 0 69155 1 6 70156 1 0 71157 1 6 72158 1 0 M END