REMARK  Name = BDB042737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.186   0.280   0.682  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -0.938  -0.179  -0.283  0.00  0.00    +0.120 C 
ATOM      3  N   LIG    1       -2.091   0.735  -0.225  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -2.873   0.426  -0.804  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.776   2.086  -0.433  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.514   2.610  -0.131  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -0.233   3.963  -0.301  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.225   4.837  -0.743  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.493   4.333  -0.992  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.464   5.163  -1.395  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        1.122   4.444  -0.002  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        1.425   5.621  -0.155  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        2.013   3.498   0.446  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        2.950   3.813   0.678  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.743   2.181   0.671  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -2.779   2.978  -0.830  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        0.551   1.738   0.393  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.434  -1.585  -0.013  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1       -1.954  -1.974   1.227  0.00  0.00    +0.134 A 
ATOM     20  F   LIG    1       -2.030  -1.092   2.232  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -2.396  -3.273   1.459  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -2.319  -4.205   0.435  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1       -2.742  -5.457   0.648  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -1.809  -3.860  -0.808  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -1.373  -2.556  -1.019  0.00  0.00    +0.134 A 
ATOM     26  F   LIG    1       -0.880  -2.236  -2.224  0.00  0.00    -0.205 F 
ENDBRANCH   2  18
BRANCH   1  31
ATOM     27  C   LIG    1        3.598  -2.414   0.588  0.00  0.00    +0.087 A 
ATOM     28  C   LIG    1        2.845  -2.254   1.746  0.00  0.00    +0.141 A 
ATOM     29  F   LIG    1        3.151  -2.941   2.857  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        1.754  -1.386   1.778  0.00  0.00    +0.044 A 
ATOM     31  C   LIG    1        1.396  -0.655   0.635  0.00  0.00    -0.034 A 
ATOM     32  C   LIG    1        2.159  -0.816  -0.533  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1        3.252  -1.688  -0.557  0.00  0.00    +0.022 A 
BRANCH  27  35
ATOM     34  N   LIG    1        5.618  -4.033   0.514  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        4.712  -3.309   0.567  0.00  0.00    +0.102 C 
ENDBRANCH  27  35
ENDBRANCH   1  31
TORSDOF 3