REMARK Name = BDB019904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.727 -0.762 -0.811 0.00 0.00 -0.015 A ATOM 2 C LIG 1 0.533 -0.165 -0.937 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.901 0.881 -0.083 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.008 1.347 0.877 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.279 0.766 1.008 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.626 -0.296 0.158 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -0.139 -3.649 -0.205 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.844 -3.144 -1.435 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -1.124 -1.850 -1.724 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.830 -1.547 -2.964 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -2.197 -2.507 -3.823 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -1.881 -3.917 -3.510 0.00 0.00 +0.249 A ATOM 13 O LIG 1 -2.191 -4.825 -4.272 0.00 0.00 -0.268 OA ATOM 14 N LIG 1 -1.224 -4.132 -2.326 0.00 0.00 -0.326 N ATOM 15 H LIG 1 -1.023 -5.104 -2.120 0.00 0.00 +0.169 HD ENDBRANCH 1 9 BRANCH 3 16 ATOM 16 C LIG 1 2.229 1.549 -0.176 0.00 0.00 +0.244 C ATOM 17 N LIG 1 3.264 0.796 -0.688 0.00 0.00 -0.307 N ATOM 18 H LIG 1 3.144 -0.202 -0.791 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 2.363 2.700 0.225 0.00 0.00 -0.270 OA BRANCH 17 20 ATOM 20 C LIG 1 4.619 1.298 -0.710 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 C LIG 1 5.382 0.828 0.503 0.00 0.00 -0.029 A ATOM 22 C LIG 1 6.152 -0.344 0.456 0.00 0.00 +0.026 A ATOM 23 C LIG 1 6.835 -0.793 1.593 0.00 0.00 +0.060 A ATOM 24 CL LIG 1 7.759 -2.246 1.448 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 6.750 -0.073 2.789 0.00 0.00 +0.059 A ATOM 26 CL LIG 1 7.564 -0.569 4.230 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 5.980 1.091 2.844 0.00 0.00 +0.022 A ATOM 28 C LIG 1 5.297 1.536 1.709 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 5 29 ATOM 29 C LIG 1 -2.257 1.284 2.041 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.430 1.858 1.418 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -4.669 1.223 1.260 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -5.056 0.061 1.647 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -4.306 -0.409 2.150 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -5.439 2.148 0.550 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -6.768 1.863 0.070 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -4.682 3.269 0.254 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -3.465 3.099 0.786 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6