HMDB0014917 RDKit 3D Nalidixic Acid 29 30 0 0 0 0 0 0 0 0999 V2000 -0.8307 2.9850 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5604 2.2550 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 1.0908 0.6255 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 1.2216 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0979 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8423 0.2094 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 1.3101 0.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -0.9094 0.4167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 -1.1016 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5653 -2.1252 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 -1.2274 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 -2.4420 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 -2.5250 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 -1.3835 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 -1.4712 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 -0.2305 0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 -0.0781 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 3.6654 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 3.6495 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 2.3026 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 1.9353 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 2.9661 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 2.1398 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -1.0138 -0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -3.3049 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 -3.4663 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0075 -1.3085 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2586 -0.7548 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0904 -2.4864 0.2267 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 0 5 6 1 0 6 7 2 0 6 8 1 0 5 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 14 16 1 0 16 17 2 0 17 3 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 4 23 1 0 8 24 1 0 12 25 1 0 13 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 M END