REMARK Name = BDB013843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.637 -0.320 0.904 0.00 0.00 -0.338 N ATOM 2 H LIG 1 -1.243 -0.662 1.659 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.793 0.178 -0.176 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -1.409 0.402 -0.024 0.00 0.00 +0.060 A ATOM 5 C LIG 1 -0.848 1.269 -0.967 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -1.526 1.925 -1.942 0.00 0.00 -0.261 NA ATOM 7 C LIG 1 -2.846 1.689 -2.030 0.00 0.00 +0.111 A ATOM 8 C LIG 1 -3.517 0.830 -1.185 0.00 0.00 +0.036 A BRANCH 3 10 ATOM 9 O LIG 1 -4.705 -1.149 0.439 0.00 0.00 -0.245 OA ATOM 10 C LIG 1 -3.591 -0.726 0.693 0.00 0.00 +0.339 C BRANCH 10 11 ATOM 11 O LIG 1 -3.002 -1.022 1.869 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -3.670 -1.591 2.312 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 0.603 0.254 1.430 0.00 0.00 +0.138 C BRANCH 13 14 ATOM 14 C LIG 1 1.834 -0.159 0.645 0.00 0.00 -0.012 A ATOM 15 C LIG 1 3.050 0.535 0.789 0.00 0.00 +0.047 A ATOM 16 CL LIG 1 3.200 1.895 1.847 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 4.193 0.143 0.085 0.00 0.00 +0.040 A ATOM 18 C LIG 1 4.139 -0.959 -0.761 0.00 0.00 +0.042 A ATOM 19 CL LIG 1 5.545 -1.444 -1.625 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 2.957 -1.677 -0.906 0.00 0.00 +0.020 A ATOM 21 C LIG 1 1.816 -1.284 -0.202 0.00 0.00 +0.008 A ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 5