REMARK  Name = BDB031063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.761  -0.754   0.578  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.976  -0.159  -0.339  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.054   0.726   0.100  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.113   1.058   1.438  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.697   0.427   2.373  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.643  -0.496   1.938  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.732   1.335  -0.955  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -2.112   1.307  -1.059  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -2.439   2.038  -2.199  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1       -3.818   2.177  -2.512  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.747   1.601  -1.725  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -4.387   0.822  -0.535  0.00  0.00    -0.016 A 
ATOM     13  N   LIG    1       -1.368   2.478  -2.823  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -3.074   0.695  -0.250  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -0.313   2.022  -2.078  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -5.497   0.208   0.246  0.00  0.00    +0.092 C 
ATOM     17  C   LIG    1       -6.517   1.162   0.862  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -5.514   0.490   1.747  0.00  0.00    +0.021 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -5.971  -1.150  -0.236  0.00  0.00    +0.399 C 
ATOM     20  F   LIG    1       -6.960  -1.640   0.551  0.00  0.00    -0.170 F 
ATOM     21  F   LIG    1       -6.456  -1.076  -1.498  0.00  0.00    -0.170 F 
ATOM     22  F   LIG    1       -4.960  -2.050  -0.224  0.00  0.00    -0.170 F 
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  23
ATOM     23  N   LIG    1        2.676  -1.667   0.060  0.00  0.00    -0.322 N 
ATOM     24  H   LIG    1        2.512  -1.635  -0.947  0.00  0.00    +0.148 HD
BRANCH  23  27
ATOM     25  F   LIG    1        4.497   0.828   0.915  0.00  0.00    -0.243 F 
ATOM     26  C   LIG    1        4.620  -0.076  -0.108  0.00  0.00    +0.189 C 
ATOM     27  C   LIG    1        4.095  -1.436   0.403  0.00  0.00    +0.119 C 
ATOM     28  C   LIG    1        4.939  -2.580  -0.200  0.00  0.00    +0.106 C 
ATOM     29  N   LIG    1        6.381  -2.490   0.058  0.00  0.00    -0.314 NA
ATOM     30  H   LIG    1        6.638  -3.085   0.846  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        6.857  -1.128   0.300  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        6.087  -0.104  -0.523  0.00  0.00    +0.054 C 
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 5