@MOLECULE octyltrichlorosilane 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.9633 1.4540 0.0049 Cl 1 UNL111111 -0.1224 2 CL -2.6878 -1.0876 -1.6439 Cl 1 UNL111111 -0.1207 3 CL -2.6857 -1.0966 1.6354 Cl 1 UNL111111 -0.1206 4 SI -2.5239 0.0542 -0.0012 Si 1 UNL111111 0.3223 5 C 2.8446 -0.1844 0.0133 C.3 1 UNL111111 -0.2734 6 C 1.6323 0.7553 0.0009 C.3 1 UNL111111 -0.2708 7 C 4.1519 0.6180 -0.0052 C.3 1 UNL111111 -0.2769 8 C 0.3265 -0.0623 0.0067 C.3 1 UNL111111 -0.2436 9 C 5.3639 -0.3219 0.0027 C.3 1 UNL111111 -0.2716 10 C -0.8743 0.8987 -0.0002 C.3 1 UNL111111 -0.3859 11 C 6.6733 0.4784 0.0009 C.3 1 UNL111111 -0.2514 12 C 7.8829 -0.4562 -0.0074 C.3 1 UNL111111 -0.4393 13 H 2.8080 -0.8657 -0.8575 H 1 UNL111111 0.1390 14 H 2.8133 -0.8336 0.9085 H 1 UNL111111 0.1389 15 H 1.6663 1.4278 0.8777 H 1 UNL111111 0.1380 16 H 1.6695 1.4094 -0.8896 H 1 UNL111111 0.1380 17 H 4.1850 1.2700 -0.8978 H 1 UNL111111 0.1368 18 H 4.1935 1.2959 0.8676 H 1 UNL111111 0.1368 19 H 0.3297 -0.7382 -0.8753 H 1 UNL111111 0.1489 20 H 0.3293 -0.7244 0.8993 H 1 UNL111111 0.1490 21 H 5.3272 -0.9831 0.8884 H 1 UNL111111 0.1373 22 H 5.3303 -0.9920 -0.8766 H 1 UNL111111 0.1374 23 H -0.7996 1.5752 -0.8938 H 1 UNL111111 0.1801 24 H -0.8032 1.5829 0.8873 H 1 UNL111111 0.1800 25 H 6.7069 1.1478 -0.8793 H 1 UNL111111 0.1338 26 H 6.7134 1.1403 0.8866 H 1 UNL111111 0.1338 27 H 7.8868 -1.0988 -0.8949 H 1 UNL111111 0.1428 28 H 8.8214 0.1091 -0.0063 H 1 UNL111111 0.1410 29 H 7.8910 -1.1091 0.8725 H 1 UNL111111 0.1428 @BOND 1 2 4 1 2 17 7 1 3 27 12 1 4 23 10 1 5 16 6 1 6 25 11 1 7 22 9 1 8 19 8 1 9 13 5 1 10 12 28 1 11 12 11 1 12 12 29 1 13 7 9 1 14 7 5 1 15 7 18 1 16 4 10 1 17 4 1 1 18 4 3 1 19 10 8 1 20 10 24 1 21 11 9 1 22 11 26 1 23 6 8 1 24 6 5 1 25 6 15 1 26 9 21 1 27 8 20 1 28 5 14 1