REMARK  Name = BDB001611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539  -0.855  -0.213  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1       -1.487   0.176  -0.079  0.00  0.00    -0.176 N 
ATOM      3  C   LIG    1       -2.872   0.108  -0.091  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1       -3.265   1.432   0.058  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -4.629   1.755   0.096  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -5.566   0.721  -0.021  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -5.152  -0.604  -0.170  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1       -2.164   2.235   0.146  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -3.794  -0.942  -0.209  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1       -1.088   1.468   0.051  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1       -0.963  -1.988  -0.443  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        3.747  -0.466   0.034  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1        3.143  -1.388  -0.835  0.00  0.00    +0.060 A 
ATOM     14 BR   LIG    1        4.178  -2.526  -1.953  0.00  0.00    -0.046 Br
ATOM     15  C   LIG    1        1.751  -1.502  -0.907  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        0.937  -0.683  -0.115  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        1.532   0.222   0.769  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.927   0.333   0.837  0.00  0.00    +0.047 A 
BRANCH  12  20
ATOM     19  C   LIG    1        5.746   0.537   0.876  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.116  -0.421   0.037  0.00  0.00    -0.494 OA
ENDBRANCH  12  20
ENDBRANCH   1  16
TORSDOF 2