HMDB0259603 RDKit 3D Combretastatin A-1 bis(phosphate) 54 55 0 0 0 0 0 0 0 0999 V2000 -3.8148 -2.4486 -2.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -1.7635 -1.6338 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 -0.8173 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9797 -0.5517 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 0.3781 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 0.7008 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 0.1311 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 0.4677 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 1.4115 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 1.7016 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9506 1.0567 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 1.3892 0.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5921 2.3621 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.1081 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -0.5440 -1.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 -0.3208 -1.0009 P 0 0 0 0 0 5 0 0 0 0 0 0 6.8744 -1.2850 -1.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6482 1.2789 -1.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7907 -0.7011 0.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 -0.1781 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -1.1151 -1.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 -2.0379 -2.4844 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9507 -2.9593 -3.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6681 -1.0246 -3.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9027 -3.0276 -1.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 1.0352 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8628 0.7738 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8406 1.4330 1.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5071 2.4143 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 -0.1597 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6601 -0.4230 -0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3215 -1.4202 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0529 -2.8965 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -3.2884 -2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -1.7842 -3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -1.0934 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 1.4542 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 -0.6181 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 1.9582 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 2.4390 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 2.0899 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 2.4743 1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 3.3733 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5858 1.4444 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2557 -1.4740 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 -1.4067 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -3.1825 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 1.7840 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3568 2.5637 3.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 2.0494 3.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1914 3.3550 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9484 -2.0605 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5924 -2.0752 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9580 -0.9704 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 14 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 5 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 2 0 30 31 1 0 31 32 1 0 30 3 1 0 20 8 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 13 41 1 0 13 42 1 0 13 43 1 0 18 44 1 0 19 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 29 49 1 0 29 50 1 0 29 51 1 0 32 52 1 0 32 53 1 0 32 54 1 0 M END