@MOLECULE allobarbital 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6477 1.7477 -1.6758 O.2 1 UNL1111111111 -0.4367 2 O -0.0835 -1.2413 1.8942 O.2 1 UNL1111111111 -0.4344 3 O 3.4121 1.0643 0.1904 O.2 1 UNL1111111111 -0.4659 4 N 1.3598 1.4299 -0.7405 N.am 1 UNL1111111111 -0.6467 5 N 1.6552 -0.1154 1.0504 N.am 1 UNL1111111111 -0.6481 6 C -0.4866 -0.1865 -0.2414 C.3 1 UNL1111111111 -0.1081 7 C -1.9610 0.0033 0.1494 C.3 1 UNL1111111111 -0.2735 8 C -0.3168 -1.3297 -1.2749 C.3 1 UNL1111111111 -0.2837 9 C 0.0110 1.0771 -0.9238 C.2 1 UNL1111111111 0.5747 10 C 0.3181 -0.5540 0.9917 C.2 1 UNL1111111111 0.5798 11 C -2.1652 1.1915 1.0327 C.2 1 UNL1111111111 -0.1478 12 C -0.8290 -2.6320 -0.7457 C.2 1 UNL1111111111 -0.1270 13 C 2.2326 0.8046 0.1634 C.2 1 UNL1111111111 0.7170 14 C -2.9394 2.2160 0.6795 C.2 1 UNL1111111111 -0.2879 15 C -0.0608 -3.7081 -0.5851 C.2 1 UNL1111111111 -0.2960 16 H -2.3296 -0.9049 0.6812 H 1 UNL1111111111 0.1776 17 H -2.5786 0.0873 -0.7720 H 1 UNL1111111111 0.1702 18 H 0.7501 -1.4111 -1.5757 H 1 UNL1111111111 0.1622 19 H -0.8605 -1.0650 -2.2118 H 1 UNL1111111111 0.1751 20 H 1.7322 2.2201 -1.2790 H 1 UNL1111111111 0.3532 21 H 2.2443 -0.4579 1.8173 H 1 UNL1111111111 0.3528 22 H -1.6548 1.1569 1.9945 H 1 UNL1111111111 0.1509 23 H -1.8912 -2.6502 -0.5010 H 1 UNL1111111111 0.1496 24 H -3.1069 3.0796 1.3105 H 1 UNL1111111111 0.1461 25 H -3.4572 2.2865 -0.2648 H 1 UNL1111111111 0.1504 26 H -0.4412 -4.6398 -0.1892 H 1 UNL1111111111 0.1491 27 H 0.9887 -3.7494 -0.8196 H 1 UNL1111111111 0.1470 @BOND 1 1 9 2 2 2 10 2 3 3 13 2 4 4 9 am 5 4 13 am 6 4 20 1 7 5 10 am 8 5 13 am 9 5 21 1 10 6 7 1 11 6 8 1 12 6 9 1 13 6 10 1 14 7 11 1 15 7 16 1 16 7 17 1 17 8 12 1 18 8 18 1 19 8 19 1 20 11 14 2 21 11 22 1 22 12 15 2 23 12 23 1 24 14 24 1 25 14 25 1 26 15 26 1 27 15 27 1