HMDB0297877 RDKit 3D DG(PGD1/0:0/a-17:0) 120120 0 0 0 0 0 0 0 0999 V2000 -13.7905 -0.0023 2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9864 -1.2185 1.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2655 -1.1389 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4165 -0.6642 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8261 0.6466 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7983 1.0963 0.0616 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.4094 2.4059 -0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5998 0.1902 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3721 0.6678 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1355 -0.1151 -0.1954 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3136 -1.5397 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0028 -2.3437 0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4581 -1.9024 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5849 -0.6174 -2.4666 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8380 -0.5783 -3.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3484 0.4252 -1.4431 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9339 0.6768 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 1.2111 -2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6951 1.5855 -1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7122 0.5862 -1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 -0.2024 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1326 0.5940 1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 1.4320 1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 2.4870 2.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 1.1325 0.9203 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 1.8654 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.9589 2.5955 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0744 2.6908 3.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 0.5745 3.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 -0.2194 2.7338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 -0.8697 1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.8263 0.6116 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -1.6806 1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 -2.1307 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.9401 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -2.1132 0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 -0.8638 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -1.0638 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4257 0.2030 -2.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 1.1766 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8163 0.9006 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1114 -0.1285 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6068 -0.3851 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2513 0.8814 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7433 0.5910 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9159 -0.4671 1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4825 0.3163 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9336 0.0470 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7573 0.1147 2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1427 0.9459 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4350 -0.0385 3.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8668 -1.7907 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1345 -1.9348 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5557 -2.2351 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2893 -0.6017 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9828 -0.8814 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5733 -1.4600 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6177 1.4651 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3102 0.7124 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0456 1.2741 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8316 3.1057 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7315 -0.8728 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2643 1.7379 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4763 0.0564 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 -2.7407 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4071 -1.9996 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6889 -0.5588 -2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3608 -0.9580 -4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8379 1.3684 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -0.2739 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0059 1.3995 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0334 0.4129 -2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6287 2.1067 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6441 2.5251 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 2.0066 -2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 1.0547 -1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 -0.1674 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -1.0777 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 -0.7327 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0243 1.2204 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 -0.1064 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 2.9641 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 1.6645 0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 2.5227 2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 2.9313 4.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.6724 4.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 0.0481 3.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4518 -1.0993 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -2.5837 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9991 -1.3123 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 -2.8267 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0758 -3.7940 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 -3.3141 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 -2.7653 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2844 -1.9035 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4205 -0.2931 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7854 -0.1821 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 -1.4739 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8415 -1.8831 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 0.7649 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5868 -0.0121 -3.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3485 2.0561 -2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9615 1.7083 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3429 1.8506 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 0.7102 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6836 -1.1058 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 0.2215 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9798 -0.7408 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6714 -1.1733 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 1.6816 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 1.2462 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1481 1.5557 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1645 -1.4611 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7804 -0.1912 2.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0136 -0.5423 2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0575 -0.5943 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3858 1.1966 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5474 0.3799 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1585 0.6773 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1304 -1.0080 -0.1680 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 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 45 47 1 0 47 48 1 0 16 10 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 1 13 65 1 0 13 66 1 0 14 67 1 6 15 68 1 0 16 69 1 6 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 6 28 85 1 0 29 86 1 0 29 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END