HMDB0015294 RDKit 3D Amdinocillin 45 47 0 0 0 0 0 0 0 0999 V2000 3.0730 2.0596 -0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 0.6000 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 0.1680 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -0.4338 -1.8975 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -1.8645 -0.7925 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0768 -2.5250 -0.6156 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0791 -1.7126 -0.8149 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -1.3508 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 -0.5440 -0.0667 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 0.5603 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 1.6782 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 1.4902 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 0.5504 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 -0.8599 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -0.9407 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -2.4643 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -3.1733 1.8535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -1.1992 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 0.1435 0.5830 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1336 0.3482 1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 -0.5912 2.7005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 1.6149 2.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 2.5276 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 2.1993 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 2.5613 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 -0.7323 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 -0.1811 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 0.9244 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -2.5208 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0028 -3.5878 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 -1.6708 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 0.8916 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.1939 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 1.7331 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 2.6443 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6272 2.4791 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 1.0983 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9452 0.5322 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8768 0.9202 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -1.5450 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -1.1012 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 -1.9478 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -0.1966 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 0.8664 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 2.3581 2.4626 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 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 6 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 2 1 0 18 5 1 0 15 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 5 29 1 1 6 30 1 6 8 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 19 44 1 1 22 45 1 0 M END