REMARK Name = BDB063112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.565 1.982 0.170 0.00 0.00 +0.063 C ATOM 2 C LIG 1 -1.472 0.978 0.107 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.505 -0.403 0.195 0.00 0.00 -0.022 A ATOM 4 C LIG 1 -2.703 -1.265 0.383 0.00 0.00 +0.046 C ATOM 5 C LIG 1 -0.154 -0.865 0.070 0.00 0.00 +0.003 A ATOM 6 C LIG 1 0.666 0.253 -0.091 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.064 0.169 -0.244 0.00 0.00 -0.027 A ATOM 8 C LIG 1 2.615 -1.126 -0.228 0.00 0.00 +0.005 A ATOM 9 C LIG 1 1.823 -2.260 -0.069 0.00 0.00 +0.001 A ATOM 10 C LIG 1 2.972 1.350 -0.419 0.00 0.00 +0.046 C ATOM 11 C LIG 1 0.440 -2.143 0.081 0.00 0.00 +0.010 A ATOM 12 N LIG 1 -0.163 1.352 -0.064 0.00 0.00 -0.358 N ATOM 13 H LIG 1 0.157 2.305 -0.158 0.00 0.00 +0.166 HD ENDROOT TORSDOF 0