REMARK  Name = BDB027928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.022  -0.191  -0.391  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.809  -0.068  -0.252  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.262   1.109   0.190  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.923   1.823   0.468  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.953   1.337   0.541  0.00  0.00    +0.239 C 
ATOM      6  O   LIG    1       -1.634   2.366   1.136  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.935   0.257   0.129  0.00  0.00    +0.158 C 
ATOM      8  C   LIG    1       -1.598  -1.112   0.267  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -2.840  -1.170  -0.607  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.236   0.326   1.015  0.00  0.00    -0.332 N 
ATOM     11  H   LIG    1        0.199   1.166   1.609  0.00  0.00    +0.147 HD
BRANCH  10  12
ATOM     12  C   LIG    1        1.532   0.198   0.479  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.629   0.818   1.119  0.00  0.00    +0.062 A 
ATOM     14 CL   LIG    1        2.384   1.835   2.500  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        3.938   0.653   0.654  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        4.185  -0.158  -0.449  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.125  -0.809  -1.075  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        1.816  -0.642  -0.607  0.00  0.00    +0.024 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 2