HMDB0247287 RDKit 3D 7-t-Butoxyiminomethyl-camptothecin 58 62 0 0 0 0 0 0 0 0999 V2000 4.4573 3.8243 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8514 2.4620 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 1.3481 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0621 1.4637 -2.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 1.3894 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 2.3965 0.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8528 0.2467 -0.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 -0.9478 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 -1.1175 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 0.0315 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 -0.1353 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.4031 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 -2.4817 0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 -2.3545 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1231 -3.3838 -0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -3.6211 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -3.0791 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -3.6336 0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -2.8563 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 -3.4378 1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8056 -2.6961 1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7345 -1.3175 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 -0.7199 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 0.6921 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 1.6064 0.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5652 1.4327 0.9878 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6841 1.7209 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 1.3223 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7411 3.1853 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6936 0.8789 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 -1.5012 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -0.9763 0.4842 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 -1.7186 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 3.8835 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 4.5386 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9681 4.1847 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 2.3435 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 2.4090 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 2.0218 -2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 -0.8048 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9455 -1.8222 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 0.7351 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 -4.4077 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6566 -4.0162 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 -4.6934 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 -4.5056 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7649 -3.1197 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 -0.7537 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3912 1.0594 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8492 1.6075 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 1.7814 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8705 0.2272 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 3.6531 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1251 3.3028 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4798 3.6851 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 1.1760 -1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6413 1.0875 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6403 -0.1926 -0.7607 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 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 2 0 13 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 3 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 23 31 2 0 31 32 1 0 32 33 2 0 10 3 1 0 33 12 1 0 14 9 1 0 33 17 1 0 31 19 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 4 39 1 0 8 40 1 0 8 41 1 0 11 42 1 0 16 43 1 0 16 44 1 0 18 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 24 49 1 0 28 50 1 0 28 51 1 0 28 52 1 0 29 53 1 0 29 54 1 0 29 55 1 0 30 56 1 0 30 57 1 0 30 58 1 0 M END