REMARK  Name = BDB032345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.437   2.317   0.325  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.652   1.150  -0.205  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -1.215   0.208  -1.075  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1       -0.403  -0.848  -1.471  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1        0.892  -1.003  -1.110  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1        1.450  -0.077  -0.304  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        0.692   0.996   0.169  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        2.788  -0.225   0.074  0.00  0.00    -0.304 N 
ATOM      9  C   LIG    1        3.681   0.946  -0.151  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1        3.689   1.391  -1.622  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1        5.095   0.662   0.276  0.00  0.00    +0.154 A 
ATOM     12  N   LIG    1        6.108   1.489   0.412  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1        7.201   0.752   0.809  0.00  0.00    -0.125 NA
ATOM     14  C   LIG    1        6.836  -0.514   0.915  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1        5.514  -0.605   0.574  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1        4.647  -1.763   0.573  0.00  0.00    +0.144 C 
ATOM     17  C   LIG    1        3.384  -1.530  -0.265  0.00  0.00    +0.129 C 
BRANCH  14  18
ATOM     18  C   LIG    1        7.653  -1.680   1.325  0.00  0.00    +0.452 C 
ATOM     19  F   LIG    1        8.899  -1.352   1.746  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        7.799  -2.567   0.304  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1        7.062  -2.369   2.339  0.00  0.00    -0.163 F 
ENDBRANCH  14  18
ENDBRANCH   6   8
BRANCH   3  22
ATOM     22  C   LIG    1       -2.645   0.256  -1.546  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.478  -0.519  -0.634  0.00  0.00    -0.339 N 
ATOM     24  H   LIG    1       -3.177  -0.427   0.334  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.865  -0.346  -0.750  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -5.696  -0.180   0.383  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -7.067  -0.026   0.173  0.00  0.00    +0.141 A 
ATOM     28  N   LIG    1       -7.673   0.128   1.390  0.00  0.00    -0.330 N 
ATOM     29  H   LIG    1       -8.664   0.255   1.523  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1       -6.724   0.074   2.361  0.00  0.00    +0.109 A 
ATOM     31 CL   LIG    1       -7.217   0.240   3.975  0.00  0.00    -0.064 Cl
ATOM     32  N   LIG    1       -7.723  -0.024  -1.000  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1       -6.901  -0.215  -2.053  0.00  0.00    +0.115 A 
ATOM     34  C   LIG    1       -5.492  -0.115   1.795  0.00  0.00    +0.051 A 
ATOM     35  C   LIG    1       -5.522  -0.378  -1.989  0.00  0.00    +0.043 A 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5