@MOLECULE (3R,4R)-5-phenylpentane-1,3,4-triol 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5246 -0.5043 1.2356 O.3 1 UNL111111111 -0.4773 2 O 1.9415 -2.1705 -0.4153 O.3 1 UNL111111111 -0.5231 3 O 4.5620 1.7411 0.5250 O.3 1 UNL111111111 -0.4259 4 C 0.6124 -0.1740 -0.1389 C.3 1 UNL111111111 -0.2406 5 C 1.9718 -0.7725 -0.5821 C.3 1 UNL111111111 0.3709 6 C -0.5456 -0.8089 -0.9239 C.3 1 UNL111111111 -0.6273 7 C 3.1336 -0.1869 0.2263 C.3 1 UNL111111111 -0.7754 8 C -1.8498 -0.2393 -0.4665 C.ar 1 UNL111111111 0.2085 9 C 3.4939 1.2229 -0.2411 C.3 1 UNL111111111 -0.2165 10 C -2.6074 -0.9091 0.4966 C.ar 1 UNL111111111 -0.3716 11 C -2.3035 0.9773 -0.9825 C.ar 1 UNL111111111 -0.2706 12 C -3.8049 -0.3590 0.9490 C.ar 1 UNL111111111 -0.0987 13 C -3.5021 1.5228 -0.5304 C.ar 1 UNL111111111 -0.1753 14 C -4.2525 0.8578 0.4385 C.ar 1 UNL111111111 -0.2003 15 H 0.6024 0.9341 -0.2233 H 1 UNL111111111 0.2046 16 H 2.1247 -0.6562 -1.6786 H 1 UNL111111111 0.1683 17 H -0.3994 -0.6534 -2.0118 H 1 UNL111111111 0.2478 18 H -0.5148 -1.9139 -0.7941 H 1 UNL111111111 0.2579 19 H 4.0173 -0.8525 0.1292 H 1 UNL111111111 0.2551 20 H 2.8864 -0.1886 1.3070 H 1 UNL111111111 0.2852 21 H 2.6399 1.9207 -0.1747 H 1 UNL111111111 0.1133 22 H 3.9049 1.2351 -1.2686 H 1 UNL111111111 0.2305 23 H -0.3761 -0.3300 1.5791 H 1 UNL111111111 0.3805 24 H 1.6767 -2.3902 0.5068 H 1 UNL111111111 0.3655 25 H -2.2686 -1.8667 0.8887 H 1 UNL111111111 0.2362 26 H -1.7209 1.4988 -1.7385 H 1 UNL111111111 0.2115 27 H -4.3917 -0.8827 1.7021 H 1 UNL111111111 0.1670 28 H -3.8543 2.4705 -0.9342 H 1 UNL111111111 0.1852 29 H -5.1867 1.2882 0.7927 H 1 UNL111111111 0.1797 30 H 4.3431 1.7273 1.4774 H 1 UNL111111111 0.3348 @BOND 1 1 4 1 2 1 23 1 3 2 5 1 4 2 24 1 5 3 9 1 6 3 30 1 7 4 5 1 8 4 6 1 9 4 15 1 10 5 7 1 11 5 16 1 12 6 8 1 13 6 17 1 14 6 18 1 15 7 9 1 16 7 19 1 17 7 20 1 18 8 10 ar 19 8 11 ar 20 9 21 1 21 9 22 1 22 10 12 ar 23 10 25 1 24 11 13 ar 25 11 26 1 26 12 14 ar 27 12 27 1 28 13 14 ar 29 13 28 1 30 14 29 1