HMDB0013621 RDKit 3D 16(17)-EpDPE 57 57 0 0 0 0 0 0 0 0999 V2000 7.1727 -3.4132 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8921 -1.9413 -1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 -1.7128 -1.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6995 -1.3126 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 -1.0272 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9047 0.4178 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 0.8605 2.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 0.6908 2.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0741 1.9582 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 1.9348 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 1.9898 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 2.0878 1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 3.3129 1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 3.2849 1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 2.0698 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6903 2.0970 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 1.1752 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8854 -0.0125 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 -1.3103 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 -1.5522 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 -0.6477 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8861 -0.7168 -1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4931 -2.0586 -1.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1795 -2.3638 -2.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -2.9774 -0.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -3.4577 -2.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 -3.8843 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -3.8943 -2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 -1.6327 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 -1.3008 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9139 -1.8813 -2.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 -1.1642 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 -1.6447 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 -1.3443 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 1.1249 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -0.1582 2.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 2.8630 1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 2.0272 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9344 1.8609 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 1.9610 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 1.9211 2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 1.2124 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 4.3208 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 4.2738 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 1.1401 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 2.2056 2.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3716 2.9625 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 1.3489 -1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 0.0238 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 -0.0092 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8498 -2.2276 -0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0777 -2.6555 -0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -1.1320 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 0.3425 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6771 0.0378 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3754 -0.5006 -2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0262 -3.5717 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 8 6 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 M END