HMDB0014539 RDKit 3D Carisoprodol 42 41 0 0 0 0 0 0 0 0999 V2000 -4.5531 -2.1704 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -0.9702 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 -1.1652 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 -0.1819 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 0.0682 -1.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 1.0164 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 1.9182 0.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 1.8799 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 2.9761 0.9141 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 0.8614 1.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 -1.0270 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -0.1645 -0.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -0.5269 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 -1.6957 0.5068 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 0.3510 -0.0517 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 -0.0934 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 0.1285 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 0.7471 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9793 -3.1087 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 -1.9769 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5035 -2.1875 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -0.9798 -2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 -0.0794 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 -2.2128 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 -1.3072 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 0.2605 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 1.0118 -2.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 -0.7561 -2.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 0.6577 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2626 1.5830 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4162 2.7718 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 3.9551 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 -1.3288 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 -1.8149 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 1.3252 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8505 -1.1359 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7598 -0.8275 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.9266 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7082 0.5104 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 1.7511 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 0.7750 2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 0.2355 1.6905 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 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 4 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 5 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END