REMARK  Name = BDB039650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.713  -0.044  -0.731  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.131   0.979  -1.635  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.395   0.763  -1.791  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.726  -0.598  -2.245  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.143  -1.594  -1.326  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.388  -1.420  -1.176  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.624   0.807   0.487  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.434  -0.349  -0.195  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.161  -0.608  -0.582  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.006  -1.754  -1.265  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.043   0.221  -0.348  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.315   1.393   0.377  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.609   1.698   0.797  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.323   0.184   0.957  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.951   0.148   0.530  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.575  -0.683   0.079  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.030   1.097   0.921  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.303   2.096   1.575  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.148  -0.820  -2.528  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.115  -0.676  -1.375  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.464  -1.792  -0.597  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1       -2.935  -2.990  -0.880  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.350  -1.692   0.471  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.901  -0.447   0.759  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -4.581   0.685  -0.002  0.00  0.00    +0.068 A 
ATOM     26  N   LIG    1       -5.154   1.929   0.309  0.00  0.00    -0.319 N 
ATOM     27  H   LIG    1       -4.931   2.753  -0.236  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -6.042   2.131   1.348  0.00  0.00    +0.278 A 
ATOM     29  C   LIG    1       -6.351   0.965   2.110  0.00  0.00    +0.167 A 
ATOM     30  C   LIG    1       -7.160   0.738   3.188  0.00  0.00    +0.174 A 
ATOM     31  C   LIG    1       -7.049  -0.623   3.487  0.00  0.00    +0.174 A 
ATOM     32  N   LIG    1       -6.213  -1.247   2.646  0.00  0.00    -0.171 NA
ATOM     33  F   LIG    1       -7.909   1.635   3.833  0.00  0.00    -0.201 F 
ATOM     34  O   LIG    1       -6.499   3.250   1.558  0.00  0.00    -0.265 OA
ATOM     35  N   LIG    1       -5.802  -0.255   1.818  0.00  0.00    -0.222 N 
ATOM     36  C   LIG    1       -3.692   0.571  -1.069  0.00  0.00    +0.035 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4