REMARK Name = BDB003648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.189 -1.429 -0.368 0.00 0.00 +0.097 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -2.644 -1.085 -2.477 0.00 0.00 +0.065 C ATOM 3 C LIG 1 -2.417 -0.382 -1.179 0.00 0.00 +0.039 A ATOM 4 C LIG 1 -1.409 -0.557 -0.302 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.730 0.359 0.834 0.00 0.00 +0.276 A ATOM 6 O LIG 1 -1.053 0.451 1.844 0.00 0.00 -0.266 OA ATOM 7 N LIG 1 -2.921 1.004 0.499 0.00 0.00 -0.219 N ATOM 8 N LIG 1 -3.334 0.575 -0.765 0.00 0.00 -0.294 N ATOM 9 H LIG 1 -4.289 0.213 -0.776 0.00 0.00 +0.187 HD BRANCH 7 10 ATOM 10 C LIG 1 -3.633 2.005 1.193 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -3.260 2.403 2.484 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -3.976 3.392 3.170 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -5.074 3.998 2.568 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 -5.953 5.212 3.410 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 -5.460 3.625 1.286 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -4.742 2.635 0.603 0.00 0.00 +0.029 A ENDBRANCH 7 10 ENDBRANCH 1 4 BRANCH 1 17 ATOM 17 C LIG 1 1.081 -0.641 -0.223 0.00 0.00 +0.051 A ATOM 18 C LIG 1 1.745 -0.095 -1.447 0.00 0.00 +0.276 A ATOM 19 O LIG 1 1.292 -0.256 -2.569 0.00 0.00 -0.266 OA ATOM 20 N LIG 1 2.914 0.531 -1.024 0.00 0.00 -0.219 N ATOM 21 N LIG 1 3.015 0.413 0.364 0.00 0.00 -0.294 N ATOM 22 H LIG 1 3.894 -0.004 0.674 0.00 0.00 +0.187 HD ATOM 23 C LIG 1 1.924 -0.342 0.784 0.00 0.00 +0.039 A ATOM 24 C LIG 1 1.832 -0.719 2.226 0.00 0.00 +0.065 C BRANCH 20 25 ATOM 25 C LIG 1 3.877 1.248 -1.765 0.00 0.00 +0.067 A ATOM 26 C LIG 1 3.817 1.314 -3.164 0.00 0.00 +0.029 A ATOM 27 C LIG 1 4.780 2.023 -3.894 0.00 0.00 +0.022 A ATOM 28 C LIG 1 5.812 2.677 -3.230 0.00 0.00 +0.041 A ATOM 29 CL LIG 1 6.994 3.547 -4.125 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 5.888 2.632 -1.842 0.00 0.00 +0.022 A ATOM 31 C LIG 1 4.925 1.922 -1.115 0.00 0.00 +0.029 A ENDBRANCH 20 25 ENDBRANCH 1 17 BRANCH 1 32 ATOM 32 C LIG 1 -0.217 -2.735 0.434 0.00 0.00 +0.006 A ATOM 33 C LIG 1 0.678 -3.786 0.151 0.00 0.00 +0.121 A ATOM 34 C LIG 1 0.681 -4.965 0.901 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -0.222 -5.134 1.944 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -1.126 -4.121 2.239 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -1.123 -2.937 1.495 0.00 0.00 +0.008 A BRANCH 33 38 ATOM 38 O LIG 1 1.609 -3.750 -0.852 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 1.403 -3.059 -1.500 0.00 0.00 +0.292 HD ENDBRANCH 33 38 ENDBRANCH 1 32 TORSDOF 6