HMDB0298570 RDKit 3D DG(PGD2/i-13:0/0:0) 106106 0 0 0 0 0 0 0 0999 V2000 -14.1717 0.6342 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3465 0.7790 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9216 0.4099 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5763 -0.9641 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9626 -1.4648 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3004 -0.7055 -1.1656 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7509 -1.2714 -2.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8161 -0.9126 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0490 -0.0828 -1.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5658 -0.1949 -1.8299 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0198 -0.3383 -3.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4122 -1.0949 -4.0544 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8754 0.6024 -3.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1813 1.6998 -2.3975 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0894 2.4494 -2.0638 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9359 1.0772 -1.2887 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1597 0.7399 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4758 1.8631 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 1.9333 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 0.8627 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 1.3222 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 0.2290 -0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -0.2975 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 0.2432 1.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -1.3915 0.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.0073 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -1.4785 1.6699 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3497 -0.3060 2.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 0.9272 1.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 -1.2532 0.7765 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6835 -1.9282 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 -2.8249 1.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 -1.6719 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9451 -0.8911 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 -1.6252 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6879 -1.0756 2.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -1.0672 1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0144 -0.3717 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4397 -0.3239 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3762 0.4072 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 0.4775 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8759 1.1618 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3569 2.5949 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3873 0.4119 -2.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9636 1.4660 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7598 -0.3187 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6487 0.7232 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8142 0.2162 2.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4335 1.8616 2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4150 0.5893 2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3853 1.1568 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4764 -1.1510 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0556 -1.6593 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0210 -1.5581 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5398 -2.5147 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5623 0.3511 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1408 -1.9795 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3592 -1.7032 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5345 0.7096 -2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2575 -1.0924 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 0.9957 -4.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9028 0.1565 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8788 2.4062 -2.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2362 3.4374 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7652 1.7664 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -0.1592 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9517 0.4054 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1101 2.7062 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8295 2.8581 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -0.0893 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 0.6470 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 2.1261 0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 1.8229 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 0.5372 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 -0.6294 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -3.0401 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 -2.3838 2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -2.3211 2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 -0.2427 3.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5268 -0.4439 3.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 1.5412 2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 -1.1096 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 -2.6885 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -0.0198 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5452 -0.3780 -0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -1.7859 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 -2.6942 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8636 -1.6381 3.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4348 -0.0383 2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 -0.6763 2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3285 -2.1455 1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5069 -1.0499 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 0.6478 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7050 -1.3727 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2363 0.2179 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9845 1.4191 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4547 -0.1229 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2194 -0.5368 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4035 1.0281 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0208 1.2761 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9189 3.1707 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4932 3.0727 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2907 2.6262 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2179 0.3781 -3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 0.9177 -3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1833 -0.6448 -2.2355 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 2 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 2 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 28 29 1 0 27 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 42 44 1 0 16 10 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 6 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 1 13 61 1 0 13 62 1 0 14 63 1 6 15 64 1 0 16 65 1 1 17 66 1 0 17 67 1 0 18 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 0 21 73 1 0 22 74 1 0 22 75 1 0 26 76 1 0 26 77 1 0 27 78 1 1 28 79 1 0 28 80 1 0 29 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 43101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 M END