REMARK  Name = BDB057045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.415  -0.179   0.966  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        1.255   0.365   1.801  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        2.700  -0.104   0.461  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        3.609   0.071   1.482  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        3.252  -0.118   2.406  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        2.949  -0.205  -0.732  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -2.469   0.412  -0.651  0.00  0.00    -0.298 NA
ATOM      8  C   LIG    1       -2.166  -0.914  -0.091  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -0.938  -0.856   0.816  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        0.272  -0.302   0.066  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -0.079   1.040  -0.580  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -1.335   0.919  -1.439  0.00  0.00    +0.086 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -3.685   0.375  -1.490  0.00  0.00    +0.119 C 
BRANCH  13  16
ATOM     14  C   LIG    1       -5.498  -2.017  -1.941  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -5.804  -0.969  -0.908  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1       -4.958   0.141  -0.694  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -5.310   1.085   0.291  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -6.470   0.938   1.050  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -7.302  -0.155   0.835  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.971  -1.100  -0.136  0.00  0.00    +0.003 A 
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        4.998   0.274   1.370  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.653   0.511   0.160  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        7.044   0.719   0.118  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        7.776   0.677   1.314  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        7.128   0.450   2.526  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.747   0.253   2.553  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.732   0.951  -1.204  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.972   1.504  -1.073  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.042   1.791  -2.025  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.914  -0.200  -1.907  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   4  21
TORSDOF 5