REMARK  Name = BDB002206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.180   0.199  -0.170  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.241  -0.670   0.557  0.00  0.00    +0.035 C 
ATOM      3  C   LIG    1        1.279  -0.437   2.065  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1        1.067  -2.151   0.222  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1        2.468  -0.099  -0.111  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        2.049   0.884  -1.014  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1        2.966   1.585  -1.775  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.323   1.290  -1.620  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.741   0.303  -0.713  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.810  -0.403   0.053  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1        0.656   1.044  -1.046  0.00  0.00    -0.250 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.911   0.614   1.140  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -1.260   0.026   0.056  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.981  -0.724  -0.879  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -3.353  -0.941  -0.699  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -4.137  -1.721  -1.712  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -3.994  -0.374   0.411  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -3.275   0.394   1.331  0.00  0.00    +0.046 A 
BRANCH  12  20
ATOM     19  C   LIG    1       -1.227   2.741   1.660  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -1.242   1.370   2.065  0.00  0.00    -0.494 OA
ENDBRANCH  12  20
ENDBRANCH   1  13
TORSDOF 2