HMDB0015277 RDKit 3D Diphenylpyraline 44 46 0 0 0 0 0 0 0 0999 V2000 5.4139 0.6347 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 0.5430 -0.1923 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 -0.8244 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 -0.7908 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 0.2141 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -0.2286 -0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 0.4215 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 0.8527 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 -0.0213 -1.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 0.3718 -2.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 1.6506 -2.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 2.5486 -1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 2.1141 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -0.4575 1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -1.2617 2.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 -2.0877 3.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 -2.1079 3.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7938 -1.2965 2.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -0.4906 1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 0.4988 -1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 1.2415 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 -0.2301 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 0.4798 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 1.6054 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -1.2877 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 -1.4190 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 -1.7918 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 -0.5482 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3457 1.1633 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.3464 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 -1.0372 -1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -0.3210 -3.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4049 1.9674 -3.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 3.5462 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 2.7966 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 -1.2898 2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2194 -2.7274 3.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 -2.7515 3.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8885 -1.3102 2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 0.1352 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -0.4410 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 1.1825 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 1.4309 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 2.2505 -0.7637 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 5 20 1 0 20 21 1 0 21 2 1 0 13 8 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 M END