REMARK Name = BDB000620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.725 -0.251 0.333 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 2.523 -0.169 0.225 0.00 0.00 +0.289 C ATOM 3 C LIG 1 1.695 1.135 0.047 0.00 0.00 +0.249 C ATOM 4 O LIG 1 2.106 2.270 -0.014 0.00 0.00 -0.282 OA ATOM 5 C LIG 1 0.301 0.695 -0.033 0.00 0.00 +0.049 A ATOM 6 C LIG 1 0.303 -0.694 0.083 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -0.871 -1.415 0.045 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.062 -0.695 -0.114 0.00 0.00 +0.022 A ATOM 9 C LIG 1 -2.050 0.711 -0.231 0.00 0.00 +0.042 A ATOM 10 CL LIG 1 -3.539 1.552 -0.426 0.00 0.00 -0.084 Cl ATOM 11 C LIG 1 -0.856 1.431 -0.191 0.00 0.00 +0.033 A ATOM 12 N LIG 1 1.593 -1.191 0.233 0.00 0.00 -0.278 N ATOM 13 H LIG 1 1.852 -2.162 0.336 0.00 0.00 +0.155 HD ENDROOT TORSDOF 0