REMARK  Name = BDB032263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.227   0.253   0.563  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.717   1.361  -0.006  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.629   1.498  -0.018  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        1.516   0.575   0.519  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.963  -0.559   1.115  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.421  -0.720   1.141  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.621   0.170   0.565  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -2.901   1.025   0.085  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.152  -1.023  -0.092  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -8.830  -0.164   0.034  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -7.424  -0.531  -0.116  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -6.642   0.553  -0.706  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.253   0.043  -1.112  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.688  -1.009  -0.137  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -5.329  -0.854   1.246  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -6.858  -0.975   1.168  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        3.002   0.801   0.478  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.641  -0.276  -0.270  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        3.102  -0.553  -1.087  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        5.012  -0.224  -0.537  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.925   0.527   0.215  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        7.324   0.506  -0.035  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        7.796  -0.335  -1.064  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        9.172  -0.365  -1.317  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1       10.094   0.360  -0.645  0.00  0.00    -0.261 NA
ATOM     26  C   LIG    1        9.622   1.157   0.338  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        6.896  -1.122  -1.795  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        8.278   1.266   0.678  0.00  0.00    +0.067 A 
ATOM     29 CL   LIG    1        7.848   2.340   1.962  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1        5.527  -1.073  -1.521  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6