HMDB0240227 RDKit 3D Phenbenzamine 41 42 0 0 0 0 0 0 0 0999 V2000 -4.4511 -1.3752 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 -0.5542 0.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0035 -1.2804 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3907 -0.6116 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 0.2408 0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 0.1816 0.5642 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 -1.0699 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -1.0914 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 -0.7377 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 -0.7578 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -1.1376 -0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4284 -1.4936 -1.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 -1.4748 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 1.3592 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 2.3627 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 3.5316 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 3.6927 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 2.6986 -1.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 1.5793 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7178 -2.0244 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 -0.7584 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -2.0909 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 -0.6096 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9741 -1.8179 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 -2.0499 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -0.2174 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -1.6975 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.1873 1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 1.2729 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 -1.8665 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -1.2753 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -0.4374 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 -0.4738 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 -1.1557 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 -1.7922 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -1.7500 -1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 2.2725 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 4.3117 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 4.6146 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 2.8569 -2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 0.8133 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 6 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 13 8 1 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END