@MOLECULE mgk repellent 11 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0343 1.1736 1.1929 O.3 1 UNL1111111111 -0.4423 2 O 0.3841 2.1755 -1.5787 O.2 1 UNL1111111111 -0.4253 3 C 0.2868 -0.4714 -0.5176 C.3 1 UNL1111111111 -0.1508 4 C -0.6643 -0.9997 0.5849 C.3 1 UNL1111111111 -0.1596 5 C 0.9680 0.7070 0.2127 C.3 1 UNL1111111111 0.1496 6 C -1.1232 0.3270 1.2276 C.3 1 UNL1111111111 0.1273 7 C 1.2281 -1.5133 -1.1127 C.3 1 UNL1111111111 -0.2838 8 C -1.8081 -1.8726 0.0793 C.3 1 UNL1111111111 -0.2775 9 C 2.2320 0.3648 1.0122 C.3 1 UNL1111111111 -0.3163 10 C -2.2338 1.0691 0.4710 C.3 1 UNL1111111111 -0.3293 11 C 1.1781 1.9106 -0.7137 C.2 1 UNL1111111111 0.3172 12 C 2.5333 -1.6619 -0.4111 C.2 1 UNL1111111111 -0.1572 13 C 2.9881 -0.8141 0.5128 C.2 1 UNL1111111111 -0.1629 14 C -2.9147 -1.1019 -0.5583 C.2 1 UNL1111111111 -0.1770 15 C -3.1100 0.2041 -0.3635 C.2 1 UNL1111111111 -0.1387 16 H -0.3496 -0.0602 -1.3482 H 1 UNL1111111111 0.1766 17 H -0.0663 -1.5810 1.3260 H 1 UNL1111111111 0.1467 18 H -1.3472 0.2276 2.3065 H 1 UNL1111111111 0.1331 19 H 1.4309 -1.2542 -2.1785 H 1 UNL1111111111 0.1569 20 H 0.7080 -2.4954 -1.1540 H 1 UNL1111111111 0.1524 21 H -2.2274 -2.4582 0.9289 H 1 UNL1111111111 0.1515 22 H -1.4110 -2.6307 -0.6286 H 1 UNL1111111111 0.1471 23 H 1.9251 0.1710 2.0706 H 1 UNL1111111111 0.1790 24 H 2.8981 1.2498 1.0819 H 1 UNL1111111111 0.1527 25 H -1.7539 1.8363 -0.1897 H 1 UNL1111111111 0.1878 26 H -2.8423 1.6566 1.1884 H 1 UNL1111111111 0.1544 27 H 2.0712 2.5233 -0.5524 H 1 UNL1111111111 0.1159 28 H 3.1206 -2.5233 -0.7287 H 1 UNL1111111111 0.1427 29 H 3.9607 -0.9567 0.9834 H 1 UNL1111111111 0.1433 30 H -3.5767 -1.6906 -1.1899 H 1 UNL1111111111 0.1430 31 H -3.9390 0.7306 -0.8378 H 1 UNL1111111111 0.1436 @BOND 1 1 5 1 2 1 6 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 16 1 8 4 6 1 9 4 8 1 10 4 17 1 11 5 9 1 12 5 11 1 13 6 10 1 14 6 18 1 15 7 12 1 16 7 19 1 17 7 20 1 18 8 14 1 19 8 21 1 20 8 22 1 21 9 13 1 22 9 23 1 23 9 24 1 24 10 15 1 25 10 25 1 26 10 26 1 27 11 27 1 28 12 13 2 29 12 28 1 30 13 29 1 31 14 15 2 32 14 30 1 33 15 31 1