REMARK  Name = BDB060350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.672  -0.023  -0.207  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        4.494  -0.042   0.520  0.00  0.00    -0.226 N 
ATOM      3  C   LIG    1        4.785   0.068   1.868  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1        3.704   0.105   2.778  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        2.452  -0.003   2.318  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.274  -0.180   0.848  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        6.151   0.125   2.004  0.00  0.00    +0.069 A 
ATOM      8 CL   LIG    1        7.053   0.260   3.438  0.00  0.00    -0.081 Cl
ATOM      9  N   LIG    1        3.250  -0.185  -0.009  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1        6.711   0.064   0.712  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.877  -0.335   0.338  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.144  -0.911   1.108  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -1.435  -1.039   0.583  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -1.708  -0.591  -0.714  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.689  -0.057  -1.504  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        0.599   0.074  -0.976  0.00  0.00    +0.011 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.061  -0.741  -1.296  0.00  0.00    +0.247 C 
ATOM     18  N   LIG    1       -4.141  -0.174  -0.629  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -4.034   0.834   0.433  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -5.231   1.804   0.443  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -6.550   1.160   0.528  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -6.826   1.053   1.503  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -6.572  -0.166  -0.118  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -5.481  -0.387  -1.178  0.00  0.00    +0.123 C 
ATOM     25  O   LIG    1       -3.168  -1.370  -2.345  0.00  0.00    -0.270 OA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  29
ATOM     26  N   LIG    1        6.930  -0.486  -2.165  0.00  0.00    -0.324 N 
ATOM     27  H   LIG    1        6.934  -0.648  -3.163  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        7.597  -0.990  -1.601  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1        5.734  -0.067  -1.648  0.00  0.00    +0.260 C 
ATOM     30  O   LIG    1        4.834   0.235  -2.425  0.00  0.00    -0.269 OA
ENDBRANCH   1  29
TORSDOF 3