REMARK Name = BDB000993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.210 -0.288 0.065 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.170 -1.584 -0.195 0.00 0.00 -0.340 N ATOM 3 H LIG 1 -0.381 -2.398 0.044 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.380 -1.564 -0.838 0.00 0.00 +0.068 A ATOM 5 C LIG 1 1.698 -0.212 -0.943 0.00 0.00 +0.101 A ATOM 6 C LIG 1 2.907 0.157 -1.569 0.00 0.00 +0.065 A ATOM 7 C LIG 1 3.748 -0.856 -2.065 0.00 0.00 +0.035 A ATOM 8 C LIG 1 3.392 -2.197 -1.940 0.00 0.00 +0.044 A ATOM 9 CL LIG 1 4.444 -3.413 -2.558 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 2.198 -2.587 -1.323 0.00 0.00 +0.047 A ATOM 11 N LIG 1 0.699 0.560 -0.376 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -1.310 -0.188 2.287 0.00 0.00 +0.036 C ATOM 13 C LIG 1 -1.502 0.023 0.774 0.00 0.00 +0.075 C ATOM 14 N LIG 1 -2.599 -0.833 0.254 0.00 0.00 -0.305 NA ATOM 15 H LIG 1 -2.544 -0.796 -0.768 0.00 0.00 +0.123 HD ATOM 16 C LIG 1 -3.845 -0.141 0.620 0.00 0.00 +0.082 C ATOM 17 C LIG 1 -3.519 1.345 0.658 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -2.012 1.430 0.457 0.00 0.00 +0.031 C ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 C LIG 1 3.314 1.573 -1.719 0.00 0.00 +0.244 C ATOM 20 O LIG 1 4.367 1.879 -2.266 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 2.473 2.527 -1.226 0.00 0.00 -0.325 N ATOM 22 H LIG 1 2.729 3.499 -1.311 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 1.600 2.274 -0.768 0.00 0.00 +0.145 HD ENDBRANCH 6 19 TORSDOF 2