@MOLECULE (2r)-3-methyl-1-phenyl-2-butanol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4294 1.6893 0.2107 O.3 1 UNL1111111111111 -0.5605 2 C 2.7784 -0.3257 0.1413 C.3 1 UNL1111111111111 -0.1262 3 C 1.3701 0.2954 -0.0089 C.3 1 UNL1111111111111 0.1564 4 C 0.3500 -0.3242 0.9674 C.3 1 UNL1111111111111 -0.3554 5 C 2.7782 -1.7686 -0.3712 C.3 1 UNL1111111111111 -0.4486 6 C 3.7866 0.5071 -0.6559 C.3 1 UNL1111111111111 -0.4432 7 C -1.0447 -0.1877 0.4406 C.ar 1 UNL1111111111111 0.0185 8 C -1.5563 1.0769 0.1375 C.ar 1 UNL1111111111111 -0.1645 9 C -1.8413 -1.3185 0.2529 C.ar 1 UNL1111111111111 -0.1823 10 C -2.8541 1.2091 -0.3471 C.ar 1 UNL1111111111111 -0.1392 11 C -3.1410 -1.1836 -0.2321 C.ar 1 UNL1111111111111 -0.1404 12 C -3.6494 0.0784 -0.5316 C.ar 1 UNL1111111111111 -0.1644 13 H 3.0698 -0.3166 1.2172 H 1 UNL1111111111111 0.1309 14 H 1.0149 0.2444 -1.0635 H 1 UNL1111111111111 0.1515 15 H 0.5994 -1.3858 1.1611 H 1 UNL1111111111111 0.1568 16 H 0.4264 0.1756 1.9556 H 1 UNL1111111111111 0.1596 17 H 2.1400 -2.4213 0.2335 H 1 UNL1111111111111 0.1417 18 H 3.7886 -2.1933 -0.3500 H 1 UNL1111111111111 0.1466 19 H 2.4240 -1.8278 -1.4073 H 1 UNL1111111111111 0.1502 20 H 4.8064 0.1313 -0.5283 H 1 UNL1111111111111 0.1387 21 H 3.7753 1.5592 -0.3443 H 1 UNL1111111111111 0.1539 22 H 3.5578 0.4944 -1.7281 H 1 UNL1111111111111 0.1498 23 H 1.7854 1.8980 1.0942 H 1 UNL1111111111111 0.3100 24 H -0.9267 1.9590 0.2703 H 1 UNL1111111111111 0.1723 25 H -1.4518 -2.3069 0.4831 H 1 UNL1111111111111 0.1476 26 H -3.2471 2.1958 -0.5835 H 1 UNL1111111111111 0.1482 27 H -3.7590 -2.0669 -0.3769 H 1 UNL1111111111111 0.1451 28 H -4.6635 0.1818 -0.9092 H 1 UNL1111111111111 0.1470 @BOND 1 1 3 1 2 1 23 1 3 2 3 1 4 2 5 1 5 2 6 1 6 2 13 1 7 3 4 1 8 3 14 1 9 4 7 1 10 4 15 1 11 4 16 1 12 5 17 1 13 5 18 1 14 5 19 1 15 6 20 1 16 6 21 1 17 6 22 1 18 7 8 ar 19 7 9 ar 20 8 10 ar 21 8 24 1 22 9 11 ar 23 9 25 1 24 10 12 ar 25 10 26 1 26 11 12 ar 27 11 27 1 28 12 28 1