HMDB0015397 RDKit 3D Sunitinib 56 58 0 0 0 0 0 0 0 0999 V2000 6.2307 1.6429 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 0.3403 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 -0.7247 0.2129 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -1.9498 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 -3.2226 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2827 -0.7009 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 0.4636 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 0.3123 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 1.3539 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 2.3627 0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2187 1.3973 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 2.5265 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5648 3.9059 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 2.1666 -0.0776 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.8737 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 0.1162 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 0.0610 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 0.7080 1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 1.4334 1.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0865 0.3715 1.8246 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7669 -0.4664 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 -1.0608 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 -1.8555 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5741 -2.0404 -1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9514 -2.8201 -2.2699 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3262 -1.4479 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -0.6527 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 0.3784 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -1.0451 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 1.5706 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 2.4467 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2459 2.0443 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4923 0.0626 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 0.3789 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3073 -1.9425 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9296 -1.9292 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 -4.0238 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -3.3110 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -3.5590 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -0.7572 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 -1.6144 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 0.6779 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 1.3701 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 -0.5373 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 4.0912 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 3.9218 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 4.6222 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 2.8742 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6219 -0.4379 -1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5075 0.6867 2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 -0.9201 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4333 -2.3177 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6254 -1.5917 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -1.6167 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 -1.4824 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -1.1340 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 15 28 2 0 28 29 1 0 28 11 1 0 27 17 1 0 27 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 13 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 16 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 26 53 1 0 29 54 1 0 29 55 1 0 29 56 1 0 M END