REMARK  Name = BDB006633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.089  -1.658   0.102  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -3.386  -2.370   1.256  0.00  0.00    -0.235 N 
ATOM      3  C   LIG    1       -4.653  -2.987   1.574  0.00  0.00    +0.176 C 
ATOM      4  N   LIG    1       -2.344  -2.504   2.114  0.00  0.00    -0.163 NA
ATOM      5  C   LIG    1       -1.380  -1.838   1.488  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1        0.018  -1.589   1.757  0.00  0.00    +0.272 C 
ATOM      7  N   LIG    1        0.482  -0.856   0.624  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1       -0.631  -0.571  -0.340  0.00  0.00    +0.149 C 
ATOM      9  O   LIG    1        0.633  -1.967   2.742  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.780  -1.273   0.278  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.806  -0.455   0.416  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.772  -0.572   1.348  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.079  -0.157   1.137  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        5.034  -0.319   2.224  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.500   0.425  -0.053  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.641   0.824  -0.269  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.453   0.543  -1.114  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        3.887   1.133  -2.419  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.203   0.117  -0.864  0.00  0.00    +0.033 A 
ENDBRANCH   7  11
BRANCH   8  20
ATOM     20  C   LIG    1       -0.998   0.903  -0.417  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -1.232   1.685   0.731  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.548   3.043   0.622  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.627   3.639  -0.632  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.016   5.308  -0.766  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.390   2.889  -1.782  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.076   1.532  -1.675  0.00  0.00    +0.007 A 
ENDBRANCH   8  20
BRANCH   1  28
ATOM     27  C   LIG    1       -3.721  -0.699  -1.948  0.00  0.00    +0.279 C 
ATOM     28  O   LIG    1       -4.024  -1.531  -0.842  0.00  0.00    -0.480 OA
ENDBRANCH   1  28
TORSDOF 3