HMDB0061062 RDKit 3D 7-hydroxygranisetron 48 51 0 0 0 0 0 0 0 0999 V2000 -2.3768 0.6479 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -0.4296 0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3612 -1.7652 0.6165 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8355 -2.1957 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -1.0312 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3983 0.0261 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 -0.4120 -0.9904 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9864 -0.0316 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -1.1456 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2512 -0.6130 -0.9172 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 0.3008 -1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 0.7864 -2.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 0.8509 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9356 1.7872 -1.5139 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 2.0155 -0.7065 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 2.9836 -0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 1.2208 0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 1.0616 1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 1.8151 1.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 0.1478 2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2141 -0.6112 2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -0.4249 1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 0.4743 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -2.2558 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 1.5679 0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 0.6167 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 0.9977 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -2.0533 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 -2.6520 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0018 -2.9826 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 -1.4680 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 -0.5540 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 1.0222 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0988 -0.0346 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -1.4666 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 0.0751 -2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 0.9111 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 -1.6263 -2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 1.1224 -3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7803 2.5443 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 3.8368 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 3.3583 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4736 1.7339 2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.0050 3.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -1.3347 3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -1.0181 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 -3.0439 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -2.7494 -0.1407 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 9 24 1 0 7 2 1 0 23 13 1 0 24 3 1 0 23 17 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 1 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 6 8 36 1 0 8 37 1 0 9 38 1 0 12 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 24 47 1 0 24 48 1 0 M END