HMDB0033143 RDKit 3D Pyrraline 36 36 0 0 0 0 0 0 0 0999 V2000 3.7920 0.0437 1.2875 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 0.0163 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -0.8678 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 -0.3839 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 -1.1277 1.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -1.1460 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 0.1549 -0.3875 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 0.9481 -1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 0.7057 -2.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0978 -0.3781 -2.8276 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 2.1351 -1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 1.9984 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7636 0.7465 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 0.1599 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 0.5352 1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -0.4842 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 -0.8072 -0.7072 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6565 -0.5850 -2.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7197 -0.8535 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 0.4300 1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 1.0533 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 -1.8993 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -1.0022 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 -0.4289 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7775 0.7137 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.7645 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 -2.2358 1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -1.8343 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -1.6239 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4164 1.5176 -3.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 2.9871 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 2.7366 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -0.9260 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 0.4877 2.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3135 -0.2060 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 0.1843 -2.9786 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 1 0 8 9 1 0 9 10 2 0 8 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 2 16 1 0 16 17 2 0 16 18 1 0 13 7 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 M END