HMDB0015267 RDKit 3D Carvedilol 56 59 0 0 0 0 0 0 0 0999 V2000 6.4513 2.7582 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 1.6084 -1.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 0.5198 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 0.5041 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -0.6148 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 -1.6609 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 -1.6536 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.5596 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 -0.3628 -0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 -0.9978 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 -1.3516 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 -2.0010 0.3226 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -1.0058 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -0.1039 1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 -0.8836 2.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2686 1.0240 0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 0.8004 0.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 0.4148 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6221 0.1215 -1.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4345 -0.2545 -2.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7967 -0.3527 -2.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3464 -0.0583 -1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6392 -0.0753 -1.1856 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7049 0.2785 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7378 0.4282 1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4916 0.8139 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2052 1.0631 2.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 0.9198 1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4287 0.5347 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5924 0.3221 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 3.4883 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9174 3.1928 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 2.4280 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 1.3318 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9036 -0.6494 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 -2.5330 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 -2.5214 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 -0.3253 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 -1.9394 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -2.0531 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -0.4064 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 -2.5733 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 -1.6023 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -0.4642 -0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 0.3444 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -1.6626 1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 1.8835 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 1.5025 1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 0.2151 -2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -0.4784 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 -0.6434 -3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -0.3184 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7337 0.2232 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 0.9177 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0452 1.3604 3.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 1.1080 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 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 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 8 3 1 0 30 18 1 0 30 22 2 0 29 24 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 23 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 M END