HMDB0254344 RDKit 3D Masitinib 66 70 0 0 0 0 0 0 0 0999 V2000 5.6461 3.3544 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 2.8675 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 3.5516 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 3.0568 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 1.8762 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.3275 0.6363 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 2.0113 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 3.1861 0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 1.3735 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 1.9239 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5481 1.3327 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 0.1669 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9389 -0.4681 1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0019 -0.0143 0.7978 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2611 -0.6423 1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2229 -0.4199 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8366 -1.3616 -1.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3408 -2.6608 -0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3982 -1.4708 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6858 -0.2523 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 -0.3776 1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 0.2250 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 1.1969 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0521 1.6742 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 0.9109 1.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 0.3302 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 -0.4312 0.2432 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5384 -0.9317 -0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -1.7973 -0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3336 -2.3025 -1.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4625 -3.1066 -1.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9991 -3.3991 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4312 -2.9061 0.5356 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3257 -2.1187 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9855 -0.6255 -2.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.3577 -1.6038 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 4.4407 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3824 2.8218 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 3.3358 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 4.4950 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 3.6512 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3252 0.3168 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 2.8472 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4851 1.7598 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8915 -1.5709 1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 -0.2190 2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6521 -0.1747 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0582 -1.7238 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2525 -0.6795 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0985 0.6075 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2144 -2.5606 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5702 -3.2799 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6637 -3.1929 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0153 -2.3847 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1492 -1.5424 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6024 -0.4703 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9009 0.5954 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 -1.2969 2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -0.2253 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.2543 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3155 -0.6180 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9177 -2.0776 -2.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8659 -3.4681 -2.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8786 -4.0293 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9396 -1.7684 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -0.9427 -3.0470 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 12 21 1 0 21 22 2 0 5 23 1 0 23 24 2 0 24 25 1 0 25 26 2 3 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 28 35 2 0 35 36 1 0 24 2 1 0 36 26 1 0 22 9 1 0 34 29 1 0 20 14 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 6 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 13 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 27 61 1 0 30 62 1 0 31 63 1 0 32 64 1 0 34 65 1 0 35 66 1 0 M END