HMDB0061786 RDKit 3D n-Propylbenzamide 25 25 0 0 0 0 0 0 0 0999 V2000 -4.4475 -0.0851 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -0.1392 -0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -0.1770 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 -0.2302 -0.1228 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 0.1884 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0535 0.6767 1.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 0.1346 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -0.3481 -1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -0.3747 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 0.0692 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 0.5484 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 0.5725 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3415 -0.3572 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 0.9527 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1802 -0.7528 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0566 -0.9632 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 0.8207 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 -1.0420 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 0.7873 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 0.0117 2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0857 -0.7020 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 -0.7486 -2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 0.0554 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 0.8953 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 0.9564 1.8547 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 2 3 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 M END