HMDB0247669 RDKit 3D Lumacaftor 51 55 0 0 0 0 0 0 0 0999 V2000 -4.2078 -1.1620 2.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 -0.7871 1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7209 -1.3378 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -0.9873 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3722 -0.1071 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8853 0.0648 -0.1876 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -1.0583 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 -2.1593 0.1646 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0073 -1.3521 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 -0.5356 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4262 -1.1797 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5941 -0.5763 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 0.7728 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 1.4464 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 0.7848 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 2.7897 0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 2.9383 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 3.5322 -0.6596 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 3.6990 1.6132 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 1.6358 0.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -1.8198 -2.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 -2.8088 -1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 0.4215 0.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 0.0903 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9373 0.5578 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8662 0.5112 -1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 0.8300 -2.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 1.2123 -1.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2092 1.2668 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4712 1.6289 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4811 1.9235 -0.5592 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7255 1.6939 1.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1226 0.9434 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9669 -1.2942 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4943 -0.4918 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1282 -2.1742 2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -2.0357 2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 -1.4114 2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 1.0312 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4506 -2.2281 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -1.1356 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 1.3911 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -1.8081 -2.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.5275 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -3.3644 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 -3.4900 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 0.2170 -2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 0.7958 -3.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 1.4679 -2.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 2.1615 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2667 1.0244 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 9 21 1 0 21 22 1 0 5 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 29 33 2 0 24 2 1 0 33 25 1 0 22 9 1 0 15 10 1 0 20 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 4 38 1 0 6 39 1 0 11 40 1 0 12 41 1 0 15 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 32 50 1 0 33 51 1 0 M END