@MOLECULE (2r)-5-phenyl-2-pentanol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5820 1.3508 -0.5087 O.3 1 UNL1111111111 -0.5723 2 C -0.8903 -0.1546 -0.0138 C.3 1 UNL1111111111 -0.2571 3 C -2.2935 -0.4255 0.5333 C.3 1 UNL1111111111 -0.3455 4 C 0.1758 -0.4682 1.0489 C.3 1 UNL1111111111 -0.2903 5 C -3.3740 -0.0546 -0.4940 C.3 1 UNL1111111111 0.1841 6 C 1.5391 -0.2128 0.4828 C.ar 1 UNL1111111111 0.0186 7 C -4.7384 -0.6313 -0.1200 C.3 1 UNL1111111111 -0.4749 8 C 2.2280 -1.2346 -0.1745 C.ar 1 UNL1111111111 -0.1817 9 C 2.1196 1.0523 0.5951 C.ar 1 UNL1111111111 -0.1805 10 C 3.4890 -0.9933 -0.7146 C.ar 1 UNL1111111111 -0.1352 11 C 3.3808 1.2907 0.0542 C.ar 1 UNL1111111111 -0.1341 12 C 4.0672 0.2697 -0.6011 C.ar 1 UNL1111111111 -0.1653 13 H -0.7050 -0.7651 -0.9192 H 1 UNL1111111111 0.1437 14 H -0.7917 0.8987 -0.3378 H 1 UNL1111111111 0.1367 15 H -2.4645 0.1472 1.4659 H 1 UNL1111111111 0.1573 16 H -2.3925 -1.4902 0.8146 H 1 UNL1111111111 0.1503 17 H 0.0024 0.1460 1.9554 H 1 UNL1111111111 0.1511 18 H 0.0781 -1.5192 1.3874 H 1 UNL1111111111 0.1500 19 H -3.0785 -0.3506 -1.5257 H 1 UNL1111111111 0.1139 20 H -5.0214 -0.3528 0.9022 H 1 UNL1111111111 0.1579 21 H -4.7533 -1.7210 -0.2017 H 1 UNL1111111111 0.1460 22 H -5.5175 -0.2258 -0.7805 H 1 UNL1111111111 0.1639 23 H 1.7790 -2.2206 -0.2658 H 1 UNL1111111111 0.1510 24 H 1.5872 1.8524 1.1049 H 1 UNL1111111111 0.1524 25 H -2.7346 1.8311 -0.5265 H 1 UNL1111111111 0.3138 26 H 4.0225 -1.7925 -1.2255 H 1 UNL1111111111 0.1481 27 H 3.8317 2.2768 0.1442 H 1 UNL1111111111 0.1483 28 H 5.0521 0.4580 -1.0223 H 1 UNL1111111111 0.1496 @BOND 1 1 5 1 2 1 25 1 3 2 3 1 4 2 4 1 5 2 13 1 6 2 14 1 7 3 5 1 8 3 15 1 9 3 16 1 10 4 6 1 11 4 17 1 12 4 18 1 13 5 7 1 14 5 19 1 15 6 8 ar 16 6 9 ar 17 7 20 1 18 7 21 1 19 7 22 1 20 8 10 ar 21 8 23 1 22 9 11 ar 23 9 24 1 24 10 12 ar 25 10 26 1 26 11 12 ar 27 11 27 1 28 12 28 1