REMARK  Name = BDB021337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.140  -0.450   0.179  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.443   0.657   0.749  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.936   0.592   0.746  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.398   1.719   1.385  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.269   2.435   1.709  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.645  -0.491   0.198  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.002  -1.514  -0.294  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.868   1.775   1.309  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.378  -1.466  -0.284  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.418  -0.728   0.004  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.785  -0.410   1.208  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.391  -0.318   1.256  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.616  -0.566   0.112  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.267  -0.902  -1.087  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.661  -0.994  -1.139  0.00  0.00    +0.013 A 
BRANCH  10  18
ATOM     16  C   LIG    1        9.122  -0.016   0.465  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        7.686   0.191   0.402  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        6.892  -0.854  -0.069  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        7.347  -1.897  -0.534  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        7.231   1.564   0.572  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -0.207   3.696   2.383  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.185   4.721   2.930  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.022  -0.494   0.200  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.326  -1.450   0.020  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.729   0.389  -0.723  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.200   0.330  -0.442  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.028  -0.663  -0.958  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.708  -1.837  -1.807  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.126  -2.260  -2.193  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.053  -1.752  -1.208  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.379  -0.704  -0.636  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.968   0.221   0.203  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.159   1.229   0.727  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.796   1.275   0.405  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.047   2.254   0.934  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6