REMARK  Name = BDB020187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298  -1.518   1.127  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.399  -0.286   0.196  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1       -1.362  -0.643  -0.961  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1       -1.012  -0.995  -2.086  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.710  -0.602  -0.683  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1       -3.304  -0.843  -1.466  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1       -3.334   0.123   0.297  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.542   0.338   0.254  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.471   0.602   1.431  0.00  0.00    +0.097 C 
ATOM     10  C   LIG    1       -1.052   0.894   0.964  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        1.024   0.058  -0.310  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        1.661   1.282  -0.035  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.958   1.548  -0.491  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.651   0.599  -1.233  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.048  -0.620  -1.520  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        1.754  -0.886  -1.063  0.00  0.00    +0.004 A 
ENDBRANCH   2  11
TORSDOF 1