@MOLECULE cumene hydroperoxide 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9507 0.7617 0.3869 O.3 1 UNL1111111111 -0.1510 2 O 1.7795 1.6103 -0.7422 O.3 1 UNL1111111111 -0.2998 3 C 1.2325 -0.4521 0.1461 C.3 1 UNL1111111111 0.2177 4 C -0.2529 -0.2016 0.0635 C.ar 1 UNL1111111111 -0.0476 5 C 1.7786 -1.1195 -1.1159 C.3 1 UNL1111111111 -0.4837 6 C 1.5674 -1.2462 1.4178 C.3 1 UNL1111111111 -0.4713 7 C -1.1197 -1.2229 -0.3342 C.ar 1 UNL1111111111 -0.1655 8 C -0.7696 1.0465 0.4104 C.ar 1 UNL1111111111 -0.1355 9 C -2.4920 -0.9911 -0.3911 C.ar 1 UNL1111111111 -0.1504 10 C -2.1427 1.2768 0.3495 C.ar 1 UNL1111111111 -0.1503 11 C -3.0057 0.2592 -0.0515 C.ar 1 UNL1111111111 -0.1522 12 H 1.4353 -0.5914 -2.0157 H 1 UNL1111111111 0.1652 13 H 2.8744 -1.1126 -1.1215 H 1 UNL1111111111 0.1549 14 H 1.4535 -2.1612 -1.2006 H 1 UNL1111111111 0.1542 15 H 2.6441 -1.4296 1.5047 H 1 UNL1111111111 0.1590 16 H 1.0542 -2.2141 1.4164 H 1 UNL1111111111 0.1619 17 H 1.2469 -0.7034 2.3169 H 1 UNL1111111111 0.1644 18 H -0.7279 -2.2017 -0.6007 H 1 UNL1111111111 0.1475 19 H -0.0994 1.8481 0.7271 H 1 UNL1111111111 0.1725 20 H -3.1634 -1.7885 -0.7017 H 1 UNL1111111111 0.1471 21 H -2.5391 2.2545 0.6160 H 1 UNL1111111111 0.1500 22 H -4.0770 0.4394 -0.0990 H 1 UNL1111111111 0.1479 23 H 2.7023 1.5978 -1.0941 H 1 UNL1111111111 0.2649 @BOND 1 1 2 1 2 1 3 1 3 2 23 1 4 3 4 1 5 3 5 1 6 3 6 1 7 4 7 ar 8 4 8 ar 9 5 12 1 10 5 13 1 11 5 14 1 12 6 15 1 13 6 16 1 14 6 17 1 15 7 9 ar 16 7 18 1 17 8 10 ar 18 8 19 1 19 9 11 ar 20 9 20 1 21 10 11 ar 22 10 21 1 23 11 22 1