REMARK  Name = BDB003722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.617   0.371  -0.372  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        2.352  -0.077  -0.792  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.184   0.231  -0.082  0.00  0.00    +0.137 A 
ATOM      4  C   LIG    1        1.234   1.004   1.074  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.003   1.305   1.784  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.165   0.834   1.301  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.188   0.029   0.086  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -2.345  -0.438  -0.406  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -3.657  -0.152   0.267  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -4.789  -0.591  -0.207  0.00  0.00    -0.377 N 
ATOM     11  C   LIG    1       -4.865  -1.504  -1.392  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -6.111  -0.220   0.390  0.00  0.00    +0.142 C 
ATOM     13  C   LIG    1       -3.581   0.674   1.524  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.407   1.123   1.990  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.468   1.473   1.511  0.00  0.00    +0.013 A 
ATOM     16  O   LIG    1       -0.001  -0.259  -0.581  0.00  0.00    -0.455 OA
ATOM     17  C   LIG    1        3.633   1.163   0.792  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        4.775  -1.034  -2.037  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1        4.780   0.084  -1.094  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1        6.085   0.419  -0.524  0.00  0.00    +0.129 C 
ENDBRANCH   1  19
TORSDOF 1