REMARK  Name = BDB031096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.993   1.171   0.959  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.189   0.567   1.221  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.298   1.102   0.682  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.269   2.250  -0.100  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.047   2.866  -0.351  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.110   2.320   0.189  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.825  -0.375  -0.803  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        3.628   0.106  -0.408  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1        3.281   0.096   0.946  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        4.116  -0.424   1.934  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        3.553  -0.385   3.121  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        2.322   0.177   2.910  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        5.390  -0.909   1.527  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.134   0.532   1.586  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        5.734  -0.885   0.225  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1        6.441   0.274  -2.394  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        5.281  -0.417  -2.233  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1        4.377   0.167  -3.066  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1       -2.487   0.438   0.988  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -2.181  -0.317   1.606  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.227  -0.085  -0.175  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -4.635  -0.478   0.285  0.00  0.00    +0.128 C 
ATOM     23  C   LIG    1       -4.744  -1.975   0.034  0.00  0.00    +0.095 C 
ATOM     24  N   LIG    1       -3.363  -2.469   0.039  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -3.024  -2.516   1.003  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.621  -1.414  -0.671  0.00  0.00    +0.103 C 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.693   0.273  -0.478  0.00  0.00    +0.396 C 
ATOM     28  F   LIG    1       -5.585   0.073  -1.810  0.00  0.00    -0.170 F 
ATOM     29  F   LIG    1       -6.931  -0.118  -0.103  0.00  0.00    -0.170 F 
ATOM     30  F   LIG    1       -5.604   1.603  -0.261  0.00  0.00    -0.170 F 
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5