HMDB0015193 RDKit 3D Amoxicillin 44 46 0 0 0 0 0 0 0 0999 V2000 -2.8532 1.8523 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 0.5666 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8194 0.8049 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -0.4774 1.5827 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -1.7905 0.3582 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7099 -1.8236 -0.1263 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0646 -0.6134 0.1637 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -0.7947 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.9255 0.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 0.3969 0.8510 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4466 1.6263 0.6854 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 0.4382 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6211 -0.0129 0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8705 -0.0158 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 0.4537 -1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2697 0.4620 -1.7312 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9078 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 0.9029 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3315 -1.6670 -1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 -1.9452 -2.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -1.1077 -0.8601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 -0.3630 -0.6864 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8319 -1.2868 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9917 -0.8591 -0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 -2.6443 -0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 2.6616 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1861 1.7629 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 2.1714 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2047 -0.1155 1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6102 1.2453 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 1.5457 2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5674 -2.7527 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -2.7555 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 0.3270 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4388 0.3401 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 1.6717 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0658 2.4417 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 -0.3903 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 -0.3726 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8044 1.3089 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 1.2733 -2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7558 1.2578 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8683 0.2990 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0367 -3.0046 -1.3241 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 8 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 6 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 2 1 0 21 5 1 0 18 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 5 32 1 1 6 33 1 6 7 34 1 0 10 35 1 1 11 36 1 0 11 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 22 43 1 6 25 44 1 0 M END