REMARK  Name = BDB052311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.695   0.400  -0.062  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.352  -0.019  -0.184  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -1.061  -1.335  -0.695  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.297  -1.478  -0.706  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        0.798  -0.290  -0.218  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1       -1.966  -2.305  -1.111  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.295  -1.857  -0.979  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.189   0.578   0.123  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -3.650  -0.566  -0.480  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.165   0.073  -0.043  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        3.202  -0.812  -0.368  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.529  -0.418  -0.182  0.00  0.00    +0.043 A 
ATOM     13 CL   LIG    1        5.801  -1.509  -0.581  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        4.838   0.844   0.322  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.811   1.727   0.644  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        2.479   1.346   0.464  0.00  0.00    +0.028 A 
ENDBRANCH   5  10
BRANCH   1  20
ATOM     17  N   LIG    1       -4.224   1.794   1.178  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -4.616   0.972   1.615  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -4.402   2.687   1.621  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -3.076   1.732   0.431  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -2.431   2.743   0.198  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2