HMDB0300233 RDKit 3D DG(PGD2/0:0/i-21:0) 130130 0 0 0 0 0 0 0 0999 V2000 -18.4693 2.0819 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1936 2.3715 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1115 1.4601 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7972 1.6831 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7884 1.4707 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1167 0.0984 -1.6454 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.3795 -0.2686 -1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1469 -0.9519 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9177 -0.6844 -0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9836 -1.7476 -0.4005 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5792 -3.0832 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5068 -3.4480 0.2916 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8692 -3.9587 -1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5956 -3.2535 -1.7021 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5772 -3.8891 -0.9535 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7547 -1.7944 -1.2905 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5353 -1.4855 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2797 -1.4592 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5187 -0.3556 -1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8752 0.8886 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8725 1.2888 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5541 1.5795 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6246 1.9219 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 1.3268 2.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 2.8280 0.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 3.0757 2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 1.9135 2.2289 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4300 0.7364 2.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 2.0907 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 1.2095 1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 1.0695 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.8303 3.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 0.1122 2.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 -1.1855 1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2067 -2.1197 1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3529 -1.4977 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -2.3421 0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 -1.6786 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9989 -0.3280 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 0.4065 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4072 -0.2169 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2841 0.6793 -1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7038 0.2102 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3851 0.2320 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8272 -0.2236 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5666 -0.1623 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9846 -0.6105 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6965 0.2279 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1555 -0.1608 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7154 0.7564 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9355 0.5363 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1595 0.4630 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3649 2.4059 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4409 2.6329 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5351 1.0081 1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3017 2.3209 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9070 3.4223 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3657 0.3963 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9549 1.7142 2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0734 0.9787 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4232 2.7253 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5375 2.1781 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7891 1.7407 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1508 0.1145 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3834 -1.2215 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4878 -1.9817 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5325 0.3361 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6865 -1.4725 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6909 -4.9266 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5282 -4.1722 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3881 -3.3804 -2.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9002 -4.6963 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7814 -1.1371 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7615 -0.6445 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4284 -2.3618 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9639 -2.3643 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6056 -0.4394 -1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8940 1.0065 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7676 1.7132 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2235 2.2631 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7596 0.5268 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5712 2.4451 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1036 0.7097 -0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 3.2385 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 3.9778 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 2.0487 3.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.0246 1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 1.8623 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 3.1668 1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.1234 3.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 0.6336 1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.0580 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -1.7411 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 -2.4316 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -3.0251 0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -1.1756 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 -0.5792 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 -3.2881 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9249 -2.5881 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5741 -2.3377 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2381 -1.5370 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 -0.3429 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 0.3388 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 0.5873 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1656 1.4110 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 -1.2236 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8323 -0.2974 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3361 1.7124 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8064 0.8194 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2194 0.9175 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7688 -0.8291 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 -0.4283 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 1.2684 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2640 0.4492 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8029 -1.2424 -0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5223 0.8556 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0572 -0.8378 1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0184 -1.6853 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5366 -0.6178 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6256 1.2951 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2413 0.0931 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6878 0.0684 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3007 -1.2270 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5500 1.7916 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0094 1.1396 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5632 0.8124 -3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6442 -0.5265 -2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7861 1.0804 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4591 0.7144 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4019 -0.5978 -1.2508 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 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 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 16 10 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 1 13 69 1 0 13 70 1 0 14 71 1 6 15 72 1 0 16 73 1 6 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 1 28 87 1 0 29 88 1 0 29 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END