HMDB0031422 RDKit 3D cis-Piceid 50 52 0 0 0 0 0 0 0 0999 V2000 -4.6858 -1.8432 2.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 -1.0938 1.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 0.3270 1.6624 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1269 1.2085 1.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 0.9535 -0.0774 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7001 -0.0263 -0.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 0.1013 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 1.3042 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 1.3394 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 2.5447 -1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 0.2126 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 -0.9944 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5699 -2.2008 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.3469 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 -1.2927 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 -1.4704 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0457 -0.5908 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7494 0.5143 0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 1.4095 0.9762 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 0.7024 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 -0.1929 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 -1.0150 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 0.6520 -1.0110 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6684 1.2893 -2.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1595 1.1259 -0.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1498 0.6804 -1.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3598 0.3793 0.8620 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4042 0.9625 1.5449 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8385 -2.6285 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -1.1151 2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 -1.5249 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 0.6594 2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 1.9113 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 2.2264 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 3.2186 -1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 0.2804 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 -3.1657 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -3.4168 -0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3643 -2.3384 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0756 -0.7299 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9134 2.1739 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1756 1.5636 1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 0.0470 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.9638 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 -0.4339 -1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4738 0.6290 -2.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 2.2206 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8517 -0.1948 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6338 -0.6642 0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5466 0.6061 2.4424 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 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 12 22 2 0 5 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 3 1 0 22 7 1 0 21 15 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 1 5 33 1 6 8 34 1 0 10 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 16 39 1 0 17 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 6 24 46 1 0 25 47 1 1 26 48 1 0 27 49 1 6 28 50 1 0 M END