REMARK Name = BDB060398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.572 -0.511 0.219 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 1.374 -0.280 0.117 0.00 0.00 +0.254 A ATOM 3 N LIG 1 0.426 -1.262 0.066 0.00 0.00 -0.275 N ATOM 4 H LIG 1 0.741 -2.218 0.115 0.00 0.00 +0.173 HD ATOM 5 C LIG 1 -0.920 -1.054 -0.047 0.00 0.00 +0.327 A ATOM 6 O LIG 1 -1.728 -1.976 -0.089 0.00 0.00 -0.247 OA ATOM 7 N LIG 1 -1.312 0.257 -0.111 0.00 0.00 -0.314 N ATOM 8 H LIG 1 -2.310 0.413 -0.195 0.00 0.00 +0.170 HD ATOM 9 C LIG 1 -0.442 1.310 -0.068 0.00 0.00 +0.092 A ATOM 10 C LIG 1 0.873 1.108 0.042 0.00 0.00 +0.088 A ENDROOT TORSDOF 0