HMDB0304896 RDKit 3D Larotrectinib 53 57 0 0 0 0 0 0 0 0999 V2000 -4.1734 -0.8141 -2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -0.5256 -1.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9504 -0.6679 -0.5156 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.8213 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.8064 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -0.8210 2.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 -0.8461 2.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 -0.8107 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -0.7494 1.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -0.7329 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -0.9557 -0.4527 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 -2.3798 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 -2.2140 -2.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.3057 -1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 -0.1575 -1.1183 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4908 0.7578 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 0.3599 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4943 1.2057 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 0.7321 1.7873 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3719 2.5240 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 3.0116 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3944 2.1254 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 2.6130 -1.3859 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 -0.7614 -0.0078 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7689 -0.8319 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9801 0.3560 -0.7736 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0305 -0.3726 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9643 0.7107 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7043 1.7922 -0.6481 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2460 1.2397 -1.8352 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2034 1.7282 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 -1.1663 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -0.7684 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 -0.9081 3.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -0.8226 2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -2.8777 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -2.6536 -1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -1.6352 -3.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 -3.1967 -2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 -1.7789 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -0.9057 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 0.3158 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 -0.7246 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 3.2519 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 4.0946 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6435 -0.9319 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5092 -1.0473 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 1.1094 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0505 0.3859 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0802 2.7402 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6573 0.4564 -2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 2.1930 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 2.2873 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 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 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 10 24 2 0 24 25 1 0 2 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 25 4 2 0 31 26 1 0 25 7 1 0 15 11 1 0 22 16 1 0 3 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 6 17 43 1 0 20 44 1 0 21 45 1 0 27 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 29 50 1 1 30 51 1 0 31 52 1 0 31 53 1 0 M END