HMDB0252628 RDKit 3D Ganetespib 47 50 0 0 0 0 0 0 0 0999 V2000 -5.3162 -0.9554 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9825 -1.4785 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 -1.7660 -1.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 -0.4858 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 0.4018 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 1.2747 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 2.2117 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 3.2917 -1.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 3.9568 -1.6857 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7835 3.3214 -1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 3.7859 -2.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 2.2230 -0.7343 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 1.3181 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 1.4444 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 0.5604 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 -0.4869 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 -0.6550 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 -1.7722 1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 -2.2783 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 -1.4884 0.6696 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -1.6586 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 0.2385 0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3502 1.1939 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4499 2.0515 2.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 0.2917 2.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -0.5574 1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 -1.4651 2.6637 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4546 -1.1308 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1847 -1.5087 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4493 0.1481 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -2.4080 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -2.7614 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.7794 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 -0.9514 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 0.4831 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 4.5664 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 2.2227 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 0.6862 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 -2.1464 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 -3.1709 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9926 -2.1735 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4113 -0.6881 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 -2.2588 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 0.0204 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 2.1579 3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.2284 3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 -2.0537 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 17 22 2 0 6 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 26 4 1 0 12 7 1 0 22 13 1 0 20 16 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 5 35 1 0 11 36 1 0 14 37 1 0 15 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 27 47 1 0 M END