REMARK  Name = BDB032289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.639  -0.414  -0.591  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.075  -1.018  -1.558  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -1.357  -0.619  -1.736  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -1.983   0.365  -0.982  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -1.222   0.975   0.016  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.098   0.577   0.219  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.947  -0.875  -0.435  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1        2.030  -1.592  -1.156  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.970   0.157  -0.589  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1        7.293   0.429   1.622  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        7.117  -0.594   0.594  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1        6.098  -1.584   0.962  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        4.661  -1.067   0.868  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        4.368  -0.478  -0.521  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1        5.442   0.557  -0.885  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        6.851  -0.020  -0.728  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -3.408   0.765  -1.251  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.196   0.639  -0.027  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -3.980  -0.223   0.471  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -5.582   0.812  -0.153  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -6.507  -0.069   0.455  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -7.867   0.191   0.287  0.00  0.00    +0.141 A 
ATOM     23  N   LIG    1       -8.574  -0.780   0.943  0.00  0.00    -0.330 N 
ATOM     24  H   LIG    1       -9.580  -0.826   0.983  0.00  0.00    +0.168 HD
ATOM     25  C   LIG    1       -7.699  -1.643   1.522  0.00  0.00    +0.109 A 
ATOM     26 CL   LIG    1       -8.324  -2.949   2.404  0.00  0.00    -0.064 Cl
ATOM     27  N   LIG    1       -8.432   1.206  -0.389  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1       -7.520   2.041  -0.928  0.00  0.00    +0.115 A 
ATOM     29  C   LIG    1       -6.415  -1.251   1.252  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1       -6.139   1.900  -0.842  0.00  0.00    +0.043 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6