HMDB0247151 RDKit 3D Turofexorate isopropyl 56 59 0 0 0 0 0 0 0 0999 V2000 -4.0286 -3.7680 1.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6753 -3.4842 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4971 -4.7916 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.6319 0.3999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.3459 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 -0.9935 -0.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 -0.5622 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -1.1664 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 -0.7025 0.3725 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -1.3602 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 -2.1825 2.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -1.2998 1.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1638 -0.9067 1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -0.7862 1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6818 -1.0724 2.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9213 -0.9698 3.4683 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 -1.4687 3.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -1.7735 5.0258 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3673 -1.5823 3.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6752 0.2936 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 1.5080 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 2.7029 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 1.7689 -2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 1.5889 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 0.7806 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 1.4064 -1.1399 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 2.6381 -1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1246 3.6536 -2.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 4.8208 -2.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 4.9842 -2.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 3.9518 -1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 2.7735 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 -3.8861 2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -4.6508 2.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5756 -2.8762 2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 -2.9419 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 -5.6519 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9827 -4.6955 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 -4.9313 -0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 -2.1830 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -0.7259 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 -0.4742 0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 -1.8923 3.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -0.2277 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 0.6930 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 3.3428 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 3.2052 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 2.2984 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 0.8127 -2.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 1.9984 -2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 2.5013 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 1.0712 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2037 3.5192 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1312 5.6569 -2.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 5.9043 -2.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 4.1103 -1.9500 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 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 9 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 25 7 1 0 32 27 1 0 19 12 1 0 32 24 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 8 40 1 0 13 41 1 0 14 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 26 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 M END