HMDB0246334 RDKit 3D 4-Amidinophenyl benzoate 30 31 0 0 0 0 0 0 0 0999 V2000 -5.6154 -0.2115 1.1219 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -0.5540 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4553 -1.3099 -0.8845 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 -0.1999 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 0.5283 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 0.8588 0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 0.4411 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.7339 -0.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 -0.1595 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -1.1952 0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 0.1032 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 1.2444 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 1.4976 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 0.6010 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -0.5372 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 -0.8004 0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 -0.2928 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -0.6104 -1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 0.3408 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7857 -2.2674 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5471 -0.8823 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 0.8730 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 1.4380 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7324 1.9700 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1301 2.3881 -1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 0.7701 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9411 -1.2443 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -1.7011 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -0.6370 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 -1.1853 -1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 7 17 1 0 17 18 2 0 18 4 1 0 16 11 1 0 1 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 18 30 1 0 M END