REMARK  Name = BDB060347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.591  -0.270   1.204  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.482  -0.980   0.003  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.726  -0.977  -0.702  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.827  -0.270  -0.201  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.723   0.408   1.022  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.517   0.405   1.726  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.135  -0.256  -0.914  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        4.229  -0.325  -0.215  0.00  0.00    -0.166 NA
ATOM      9  N   LIG    1        5.380  -0.308  -0.959  0.00  0.00    -0.226 N 
ATOM     10  C   LIG    1        5.450  -0.214  -2.337  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        6.779  -0.229  -2.695  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        7.536  -0.336  -1.513  0.00  0.00    +0.055 A 
ATOM     13 CL   LIG    1        7.437  -0.137  -4.258  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        4.239  -0.121  -3.059  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        6.658  -0.388  -0.437  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        3.077  -0.136  -2.398  0.00  0.00    +0.032 A 
BRANCH  15  17
ATOM     17  C   LIG    1        7.027  -0.506   0.954  0.00  0.00    +0.260 C 
ATOM     18  O   LIG    1        8.188  -0.565   1.349  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1        6.011  -0.559   1.858  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        6.235  -0.696   2.831  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.043  -0.570   1.548  0.00  0.00    +0.145 HD
ENDBRANCH  15  17
ENDBRANCH   4   7
BRANCH   1  26
ATOM     22  C   LIG    1       -5.631   1.074   0.327  0.00  0.00    +0.121 C 
ATOM     23  C   LIG    1       -4.288   1.771   0.077  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -3.131   0.778   0.078  0.00  0.00    +0.110 C 
ATOM     25  N   LIG    1       -3.043   0.057   1.354  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1       -1.849  -0.287   1.985  0.00  0.00    +0.247 C 
ATOM     27  O   LIG    1       -1.782  -0.614   3.168  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1       -4.282  -0.106   2.110  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1       -5.489  -0.187   1.189  0.00  0.00    +0.050 C 
BRANCH  22  31
ATOM     30  C   LIG    1       -7.578   0.445  -0.901  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -6.188   0.742  -0.953  0.00  0.00    -0.380 OA
ENDBRANCH  22  31
ENDBRANCH   1  26
TORSDOF 4