REMARK created by molecuilder on Thu Oct 6 12:03:11 2011, time step 0 ATOM 1 C 0tes 01 2.521 -1.357 -0.154 0.00 0.00 C 0 ATOM 2 C 0tes 01 3.937 -1.470 0.442 0.00 0.00 C 0 ATOM 3 C 0tes 01 4.523 -0.111 0.744 0.00 0.00 C 0 ATOM 4 C 0tes 01 3.576 0.989 1.033 0.00 0.00 C 0 ATOM 5 C 0tes 01 2.242 0.860 1.044 0.00 0.00 C 0 ATOM 6 C 0tes 01 1.267 1.895 1.550 0.00 0.00 C 0 ATOM 7 C 0tes 01 0.005 1.993 0.673 0.00 0.00 C 0 ATOM 8 C 0tes 01 -0.641 0.611 0.464 0.00 0.00 C 0 ATOM 9 C 0tes 01 -1.917 0.707 -0.393 0.00 0.00 C 0 ATOM 10 C 0tes 01 -2.559 -0.677 -0.603 0.00 0.00 C 0 ATOM 11 C 0tes 01 -1.554 -1.679 -1.201 0.00 0.00 C 0 ATOM 12 C 0tes 01 -0.278 -1.775 -0.344 0.00 0.00 C 0 ATOM 13 C 0tes 01 0.364 -0.391 -0.133 0.00 0.00 C 0 ATOM 14 C 0tes 01 1.626 -0.486 0.746 0.00 0.00 C 0 ATOM 15 C 0tes 01 1.306 -1.214 2.048 0.00 0.00 C 0 ATOM 16 C 0tes 01 -2.876 -1.316 0.745 0.00 0.00 C 0 ATOM 17 C 0tes 01 -3.934 -0.384 -1.233 0.00 0.00 C 0 ATOM 18 O 0tes 01 -4.863 -1.430 -0.937 0.00 0.00 O 0 ATOM 19 C 0tes 01 -4.374 0.941 -0.585 0.00 0.00 C 0 ATOM 20 C 0tes 01 -3.103 1.630 -0.055 0.00 0.00 C 0 ATOM 21 O 0tes 01 5.739 0.073 0.750 0.00 0.00 O 0 ATOM 22 H 0tes 01 -5.045 0.733 0.247 0.00 0.00 H 0 ATOM 23 H 0tes 01 -4.841 1.575 -1.336 0.00 0.00 H 0 ATOM 24 H 0tes 01 -3.175 1.744 1.025 0.00 0.00 H 0 ATOM 25 H 0tes 01 -2.971 2.585 -0.559 0.00 0.00 H 0 ATOM 26 H 0tes 01 0.268 2.421 -0.293 0.00 0.00 H 0 ATOM 27 H 0tes 01 -0.713 2.661 1.145 0.00 0.00 H 0 ATOM 28 H 0tes 01 0.979 1.652 2.571 0.00 0.00 H 0 ATOM 29 H 0tes 01 1.757 2.866 1.587 0.00 0.00 H 0 ATOM 30 H 0tes 01 -0.523 -2.212 0.622 0.00 0.00 H 0 ATOM 31 H 0tes 01 0.436 -2.436 -0.832 0.00 0.00 H 0 ATOM 32 H 0tes 01 -1.291 -1.369 -2.210 0.00 0.00 H 0 ATOM 33 H 0tes 01 -2.019 -2.660 -1.269 0.00 0.00 H 0 ATOM 34 H 0tes 01 3.898 -2.059 1.356 0.00 0.00 H 0 ATOM 35 H 0tes 01 4.582 -1.996 -0.258 0.00 0.00 H 0 ATOM 36 H 0tes 01 2.580 -0.913 -1.146 0.00 0.00 H 0 ATOM 37 H 0tes 01 2.086 -2.350 -0.245 0.00 0.00 H 0 ATOM 38 H 0tes 01 3.989 1.963 1.250 0.00 0.00 H 0 ATOM 39 H 0tes 01 -3.852 -0.280 -2.313 0.00 0.00 H 0 ATOM 40 H 0tes 01 -1.579 1.021 -1.378 0.00 0.00 H 0 ATOM 41 H 0tes 01 0.669 -0.012 -1.107 0.00 0.00 H 0 ATOM 42 H 0tes 01 -0.936 0.236 1.442 0.00 0.00 H 0 ATOM 43 H 0tes 01 0.862 -2.182 1.823 0.00 0.00 H 0 ATOM 44 H 0tes 01 0.605 -0.621 2.633 0.00 0.00 H 0 ATOM 45 H 0tes 01 2.222 -1.359 2.617 0.00 0.00 H 0 ATOM 46 H 0tes 01 -3.329 -2.293 0.586 0.00 0.00 H 0 ATOM 47 H 0tes 01 -3.568 -0.681 1.294 0.00 0.00 H 0 ATOM 48 H 0tes 01 -1.958 -1.431 1.317 0.00 0.00 H 0 ATOM 49 H 0tes 01 -5.209 -1.809 -1.760 0.00 0.00 H 0 CONECT 1 2 14 36 37 CONECT 2 1 3 34 35 CONECT 3 2 4 21 CONECT 4 3 5 38 CONECT 5 4 6 14 CONECT 6 5 7 28 29 CONECT 7 6 8 26 27 CONECT 8 7 9 13 42 CONECT 9 8 10 20 40 CONECT 10 9 11 16 17 CONECT 11 10 12 32 33 CONECT 12 11 13 30 31 CONECT 13 8 12 14 41 CONECT 14 1 5 13 15 CONECT 15 14 43 44 45 CONECT 16 10 46 47 48 CONECT 17 10 18 19 39 CONECT 18 17 49 CONECT 19 17 20 22 23 CONECT 20 9 19 24 25 CONECT 21 3 CONECT 22 19 CONECT 23 19 CONECT 24 20 CONECT 25 20 CONECT 26 7 CONECT 27 7 CONECT 28 6 CONECT 29 6 CONECT 30 12 CONECT 31 12 CONECT 32 11 CONECT 33 11 CONECT 34 2 CONECT 35 2 CONECT 36 1 CONECT 37 1 CONECT 38 4 CONECT 39 17 CONECT 40 9 CONECT 41 13 CONECT 42 8 CONECT 43 15 CONECT 44 15 CONECT 45 15 CONECT 46 16 CONECT 47 16 CONECT 48 16 CONECT 49 18 END