REMARK  Name = BDB031374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.515  -0.586  -0.435  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.348  -0.448   0.456  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.146   0.192  -0.278  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.283  -0.480  -1.525  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.847  -1.196  -2.160  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.234  -0.574  -1.881  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.410  -0.251   1.028  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.202   0.064  -0.273  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.926  -0.052  -0.714  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.746   0.294  -2.001  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.812  -0.463   0.052  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.110  -0.780   1.387  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.410  -0.675   1.886  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.127   0.405   0.830  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.713   0.336   0.582  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.350   0.459  -0.360  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.819  -0.130   1.523  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.121  -0.435   2.671  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.412  -1.401  -1.316  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.717  -0.690  -1.040  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.516  -1.072   0.042  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.110  -2.059   0.857  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.733  -0.439   0.294  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1       -5.177   0.594  -0.547  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -6.455   1.205  -0.216  0.00  0.00    +0.138 A 
ATOM     26  O   LIG    1       -6.998   2.223  -0.980  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -8.150   2.627  -0.196  0.00  0.00    +0.234 C 
ATOM     28  C   LIG    1       -8.423   1.577   0.888  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -7.177   0.805   0.822  0.00  0.00    +0.062 A 
ATOM     30  C   LIG    1       -6.734  -0.269   1.713  0.00  0.00    +0.256 A 
ATOM     31  O   LIG    1       -7.406  -0.629   2.672  0.00  0.00    -0.267 OA
ATOM     32  C   LIG    1       -4.394   0.979  -1.636  0.00  0.00    +0.014 A 
ATOM     33  N   LIG    1       -5.523  -0.836   1.396  0.00  0.00    -0.319 N 
ATOM     34  H   LIG    1       -5.195  -1.584   1.995  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.175   0.338  -1.882  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4