REMARK Name = BDB003437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.683 0.167 -0.322 0.00 0.00 -0.247 OA ATOM 2 C LIG 1 2.474 0.122 -0.215 0.00 0.00 +0.326 A ATOM 3 N LIG 1 1.588 1.194 -0.011 0.00 0.00 -0.303 N ATOM 4 H LIG 1 1.859 2.162 0.075 0.00 0.00 +0.171 HD ATOM 5 C LIG 1 0.320 0.691 0.049 0.00 0.00 +0.115 A ATOM 6 C LIG 1 0.360 -0.635 -0.106 0.00 0.00 +0.141 A ATOM 7 N LIG 1 -0.744 -1.415 -0.093 0.00 0.00 -0.320 N ATOM 8 H LIG 1 -0.667 -2.418 -0.214 0.00 0.00 +0.169 HD ATOM 9 C LIG 1 -1.992 -0.871 0.085 0.00 0.00 +0.158 A ATOM 10 N LIG 1 -2.048 0.500 0.247 0.00 0.00 -0.328 N ATOM 11 H LIG 1 -2.966 0.908 0.378 0.00 0.00 +0.168 HD ATOM 12 S LIG 1 -3.361 -1.810 0.104 0.00 0.00 -0.013 S ATOM 13 C LIG 1 -0.965 1.371 0.246 0.00 0.00 +0.113 A ATOM 14 S LIG 1 -1.200 3.011 0.455 0.00 0.00 -0.030 S ATOM 15 N LIG 1 1.653 -1.023 -0.270 0.00 0.00 -0.292 N ATOM 16 H LIG 1 2.009 -1.954 -0.409 0.00 0.00 +0.172 HD ENDROOT TORSDOF 0