@MOLECULE diphenylacetaldehyde 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0355 3.2587 0.0761 O.2 1 UNL1111111111 -0.4224 2 C -0.0185 0.9337 -0.4368 C.3 1 UNL1111111111 -0.2649 3 C 1.2512 0.1740 -0.1725 C.ar 1 UNL1111111111 -0.0047 4 C -1.2625 0.1108 -0.2514 C.ar 1 UNL1111111111 0.0089 5 C 2.2832 0.2051 -1.1119 C.ar 1 UNL1111111111 -0.1583 6 C -2.4526 0.7172 0.1578 C.ar 1 UNL1111111111 -0.1797 7 C 1.4108 -0.5447 1.0151 C.ar 1 UNL1111111111 -0.1680 8 C -1.2481 -1.2571 -0.5344 C.ar 1 UNL1111111111 -0.1660 9 C -0.0156 2.1356 0.5055 C.2 1 UNL1111111111 0.3549 10 C 3.4698 -0.4821 -0.8634 C.ar 1 UNL1111111111 -0.1365 11 C -3.6092 -0.0447 0.3078 C.ar 1 UNL1111111111 -0.1310 12 C 2.5980 -1.2293 1.2597 C.ar 1 UNL1111111111 -0.1348 13 C -2.4061 -2.0156 -0.3853 C.ar 1 UNL1111111111 -0.1328 14 C 3.6286 -1.1987 0.3211 C.ar 1 UNL1111111111 -0.1523 15 C -3.5879 -1.4120 0.0408 C.ar 1 UNL1111111111 -0.1575 16 H -0.0292 1.3135 -1.4986 H 1 UNL1111111111 0.1938 17 H 2.1667 0.7662 -2.0379 H 1 UNL1111111111 0.1577 18 H -2.4912 1.7887 0.3505 H 1 UNL1111111111 0.1581 19 H 0.6021 -0.5801 1.7436 H 1 UNL1111111111 0.1574 20 H -0.3286 -1.7349 -0.8721 H 1 UNL1111111111 0.1615 21 H 0.0136 1.9234 1.5795 H 1 UNL1111111111 0.1196 22 H 4.2742 -0.4574 -1.5964 H 1 UNL1111111111 0.1504 23 H -4.5330 0.4319 0.6312 H 1 UNL1111111111 0.1496 24 H 2.7206 -1.7900 2.1845 H 1 UNL1111111111 0.1501 25 H -2.3870 -3.0817 -0.6039 H 1 UNL1111111111 0.1496 26 H 4.5559 -1.7339 0.5137 H 1 UNL1111111111 0.1488 27 H -4.4911 -2.0058 0.1598 H 1 UNL1111111111 0.1487 @BOND 1 1 9 2 2 2 3 1 3 2 4 1 4 2 9 1 5 2 16 1 6 3 5 ar 7 3 7 ar 8 4 6 ar 9 4 8 ar 10 5 10 ar 11 5 17 1 12 6 11 ar 13 6 18 1 14 7 12 ar 15 7 19 1 16 8 13 ar 17 8 20 1 18 9 21 1 19 10 14 ar 20 10 22 1 21 11 15 ar 22 11 23 1 23 12 14 ar 24 12 24 1 25 13 15 ar 26 13 25 1 27 14 26 1 28 15 27 1