HMDB0267718 RDKit 3D PA(PGD1/i-15:0) 119119 0 0 0 0 0 0 0 0999 V2000 15.5123 0.4579 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9771 1.4109 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5249 1.6467 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6042 0.5193 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7301 -0.6603 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6661 -1.7250 -0.0608 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8839 -2.7862 -0.9609 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2931 -1.2328 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 -0.6338 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1884 -0.1182 0.3716 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2541 1.3808 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2727 2.0087 1.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2946 2.0121 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9675 0.9222 -1.7601 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9260 1.2888 -2.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 -0.2730 -0.9516 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0607 -0.3695 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 0.7854 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 0.5571 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -0.6544 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -0.9062 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -2.1488 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 -2.4649 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1291 -3.3330 0.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5067 -1.8146 2.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -1.9173 2.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 -1.4225 1.3221 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8731 -2.0527 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 -1.6138 -0.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9935 -2.3383 -2.4101 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2771 -1.2514 -3.4231 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -3.4825 -2.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -3.1075 -2.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 -0.0044 1.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8347 0.8315 1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 0.2618 1.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 2.2648 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1631 2.8583 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 2.4437 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3828 1.0971 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5036 0.6164 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7555 1.4742 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8610 0.9650 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2128 -0.4493 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3223 -0.9883 1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6018 -0.2056 1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1241 -0.2358 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3963 0.5487 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5028 0.0417 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8619 0.4545 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9197 -0.4850 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4582 0.9600 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8853 0.3539 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1974 1.0429 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4748 2.4299 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2707 2.4657 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2012 2.0809 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6663 0.1798 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5532 0.9650 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7213 -1.1556 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5358 -0.3825 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 -2.1179 0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 -2.3890 -1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8483 -1.3491 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9711 -0.5017 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5784 -0.5611 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3386 2.3769 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5963 2.8940 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 0.7135 -2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 1.1542 -3.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8681 -1.2373 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -1.2717 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6506 -0.5858 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 1.7538 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 0.9316 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 0.4717 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 1.4811 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -1.5839 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 -0.5491 1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -1.0654 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -0.0118 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -1.9677 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -2.9772 0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -3.0337 2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 -1.4892 3.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 -1.6096 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8449 -1.7035 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9273 -3.1630 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -3.2118 -3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -2.4761 -3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 2.7733 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0815 2.5273 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7894 2.7865 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9744 3.9836 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1197 2.6356 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 3.2080 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8128 1.0953 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6137 0.2934 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8023 -0.3881 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2974 0.4141 1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1431 1.3923 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5480 2.5378 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7268 1.6496 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5717 1.0358 2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3151 -1.0871 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3991 -0.6202 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9804 -0.9056 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4727 -2.0413 1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3610 -0.7092 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4985 0.8286 1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3497 -1.2716 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3946 0.1674 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1566 1.6206 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5801 0.6021 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4667 0.2294 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4289 -1.0209 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9792 0.3740 -2.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5522 -0.4103 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4304 1.3959 -1.7988 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 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 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 48 50 1 0 16 10 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 1 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 1 13 67 1 0 13 68 1 0 14 69 1 6 15 70 1 0 16 71 1 6 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 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 28 88 1 0 32 89 1 0 33 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 49114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 50119 1 0 M END