HMDB0015384 RDKit 3D Dasatinib 59 62 0 0 0 0 0 0 0 0999 V2000 0.7579 -0.1113 -2.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 0.1005 -1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 0.2884 -0.4332 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 0.4852 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 0.6796 1.8795 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 0.6603 1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 0.8185 2.3453 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8337 0.7794 1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0092 0.5706 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 0.4849 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1821 0.2904 -1.4504 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4766 0.6172 0.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7424 0.5487 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4127 -0.6450 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7936 -1.8742 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 -0.6175 -1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2038 0.5295 -1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5340 1.7214 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3028 1.7190 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4535 3.2460 -0.5187 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 0.4429 0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 0.4898 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 0.3017 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 0.2953 0.4016 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 0.3783 1.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1439 -0.5587 1.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -0.2422 0.8453 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 -1.4611 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8676 -1.2858 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8899 -0.4713 -0.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 0.6310 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3504 0.2074 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 0.1095 -1.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 0.3756 -2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 -1.2114 -2.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4473 0.2564 -3.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 0.8315 2.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7172 0.9101 2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4768 0.7818 1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1731 -1.6877 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2293 -2.4328 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5959 -2.5766 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1617 -1.5759 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1716 0.5572 -2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9838 2.6277 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 0.6556 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 1.4240 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.1202 2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 -1.5806 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 -0.5937 2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 -2.1789 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1965 -1.9830 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3498 -2.2841 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4614 -0.8979 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -1.0748 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4157 0.7111 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 1.6498 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 -0.8302 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.8783 -1.5492 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 9 21 1 0 4 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 27 31 1 0 31 32 1 0 23 33 2 0 33 2 1 0 21 6 1 0 32 24 1 0 19 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 5 37 1 0 8 38 1 0 12 39 1 0 15 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 25 47 1 0 25 48 1 0 26 49 1 0 26 50 1 0 28 51 1 0 28 52 1 0 29 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 31 57 1 0 32 58 1 0 32 59 1 0 M END