HMDB0015066 RDKit 3D Methacycline 54 57 0 0 0 0 0 0 0 0999 V2000 2.1968 2.4017 -0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 1.2970 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 0.6493 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 1.3882 -0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 0.8026 -1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -0.5155 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -1.3050 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 -2.6001 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9312 -0.6998 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.4450 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 -2.6808 0.6661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 -0.7654 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -1.5058 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.9045 0.5698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -0.9935 0.7948 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2937 -1.3286 2.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8519 -1.8687 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 -2.7771 -0.7303 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 -1.5451 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1182 -2.3217 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -3.7451 -0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -1.7227 -1.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 -0.0913 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5445 0.3956 0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 0.6954 -0.4494 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4567 2.0815 -0.6823 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 2.2546 -1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 2.7902 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 0.4458 0.5493 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0898 1.2258 0.1834 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0120 2.5104 0.8246 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 0.6881 0.5870 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9830 2.8157 -1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2766 2.9690 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 2.4396 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9176 1.4071 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1788 -0.9818 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 -3.3020 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 -3.5056 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2421 -2.3051 2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -1.8334 1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 -4.2695 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 -4.3297 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8508 0.2651 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 3.2406 -2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 2.3854 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2551 1.4299 -2.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 2.5406 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1664 2.6696 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 3.8856 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 0.9028 1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 1.4295 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 2.2952 1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6676 1.0411 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 1 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 19 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 2 1 0 9 3 1 0 32 12 1 0 29 15 1 0 1 33 1 0 1 34 1 0 4 35 1 0 5 36 1 0 6 37 1 0 8 38 1 0 14 39 1 0 16 40 1 0 19 41 1 0 21 42 1 0 21 43 1 0 25 44 1 6 27 45 1 0 27 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 28 50 1 0 29 51 1 1 30 52 1 6 31 53 1 0 32 54 1 1 M END