REMARK Name = BDB011192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.649 2.182 -4.058 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -2.829 1.153 -3.110 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -3.825 0.258 -3.281 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -4.059 -0.663 -2.327 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -3.270 -0.795 -1.208 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.153 0.010 -1.065 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.242 -0.364 -0.021 0.00 0.00 -0.288 N ATOM 8 C LIG 1 -1.686 -1.139 1.072 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.883 -1.530 1.921 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -3.042 -1.483 1.078 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -3.617 -1.750 -0.158 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.362 -2.676 -0.462 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -1.974 1.093 -1.978 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.057 2.157 -1.790 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -0.902 3.175 -2.727 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.683 3.176 -3.872 0.00 0.00 +0.048 A ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 0.213 -0.279 -0.273 0.00 0.00 +0.111 C ATOM 18 C LIG 1 1.061 0.405 0.810 0.00 0.00 +0.136 C ATOM 19 N LIG 1 2.401 -0.097 0.569 0.00 0.00 -0.265 N ATOM 20 C LIG 1 3.510 0.483 1.126 0.00 0.00 +0.403 C ATOM 21 O LIG 1 3.461 1.470 1.848 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 2.400 -1.262 -0.297 0.00 0.00 +0.113 C ATOM 23 C LIG 1 0.929 -1.633 -0.455 0.00 0.00 +0.046 C BRANCH 20 24 ATOM 24 O LIG 1 4.645 -0.165 0.761 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 5.941 0.274 1.243 0.00 0.00 +0.107 C ATOM 26 C LIG 1 6.940 -0.712 0.619 0.00 0.00 +0.055 C ATOM 27 C LIG 1 6.272 1.685 0.747 0.00 0.00 +0.055 C ATOM 28 C LIG 1 6.035 0.164 2.769 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 17 BRANCH 10 29 ATOM 29 C LIG 1 -3.684 -1.918 2.312 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -3.129 -1.617 3.572 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.760 -1.994 4.763 0.00 0.00 +0.043 A ATOM 32 CL LIG 1 -3.032 -1.607 6.275 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -4.975 -2.663 4.742 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.568 -2.941 3.518 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -4.937 -2.561 2.325 0.00 0.00 +0.026 A ENDBRANCH 10 29 BRANCH 1 37 ATOM 36 C LIG 1 -3.367 3.155 -6.133 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -3.493 2.139 -5.148 0.00 0.00 -0.493 OA ENDBRANCH 1 37 TORSDOF 5