@MOLECULE centalun 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9574 -0.7941 -1.8275 O.3 1 UNL1111111111 -0.5368 2 O -1.3651 1.4838 0.9816 O.3 1 UNL1111111111 -0.5484 3 C -0.6952 0.3323 -1.0154 C.3 1 UNL1111111111 0.0907 4 C -1.7055 0.3596 0.1863 C.3 1 UNL1111111111 0.2992 5 C 0.7152 0.1840 -0.5227 C.ar 1 UNL1111111111 -0.0426 6 C -3.1302 0.6522 -0.2914 C.3 1 UNL1111111111 -0.4631 7 C 1.4153 1.3192 -0.1090 C.ar 1 UNL1111111111 -0.1740 8 C 1.3175 -1.0726 -0.4644 C.ar 1 UNL1111111111 -0.1211 9 C -1.6424 -0.8606 0.9559 C.1 1 UNL1111111111 -0.1364 10 C 2.7134 1.1918 0.3783 C.ar 1 UNL1111111111 -0.1482 11 C 2.6187 -1.1943 0.0188 C.ar 1 UNL1111111111 -0.1532 12 C 3.3150 -0.0643 0.4438 C.ar 1 UNL1111111111 -0.1464 13 C -1.5849 -1.8793 1.6059 C.1 1 UNL1111111111 -0.1618 14 H -0.8200 1.2528 -1.6314 H 1 UNL1111111111 0.1413 15 H -3.1695 1.5789 -0.8771 H 1 UNL1111111111 0.1633 16 H -3.5384 -0.1697 -0.8864 H 1 UNL1111111111 0.1512 17 H -3.7954 0.8017 0.5728 H 1 UNL1111111111 0.1732 18 H 0.9482 2.3019 -0.1685 H 1 UNL1111111111 0.1599 19 H 0.7674 -1.9542 -0.7994 H 1 UNL1111111111 0.1732 20 H -1.8652 -0.7523 -2.1902 H 1 UNL1111111111 0.3154 21 H -0.5677 1.3009 1.5251 H 1 UNL1111111111 0.3272 22 H 3.2597 2.0745 0.7046 H 1 UNL1111111111 0.1503 23 H 3.0897 -2.1741 0.0637 H 1 UNL1111111111 0.1509 24 H 4.3297 -0.1619 0.8238 H 1 UNL1111111111 0.1486 25 H -1.5352 -2.7478 2.1558 H 1 UNL1111111111 0.1878 @BOND 1 1 3 1 2 1 20 1 3 2 4 1 4 2 21 1 5 3 4 1 6 3 5 1 7 3 14 1 8 4 6 1 9 4 9 1 10 5 7 ar 11 5 8 ar 12 6 15 1 13 6 16 1 14 6 17 1 15 7 10 ar 16 7 18 1 17 8 11 ar 18 8 19 1 19 9 13 3 20 10 12 ar 21 10 22 1 22 11 12 ar 23 11 23 1 24 12 24 1 25 13 25 1