REMARK  Name = BDB028008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.281  -1.518   0.220  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1        0.844  -1.933  -0.513  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.456  -3.170  -0.261  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        0.972  -3.989   0.755  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.123  -3.576   1.509  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.748  -2.351   1.243  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.408  -1.126  -1.617  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        2.015   0.075  -1.308  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        2.281   0.620   0.014  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        3.319   1.707  -0.233  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1        2.971   2.194  -1.634  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        2.581   0.910  -2.350  0.00  0.00    +0.108 C 
ATOM     13  O   LIG    1        1.370  -1.591  -2.754  0.00  0.00    -0.270 OA
ENDBRANCH   2   7
BRANCH   1  14
ATOM     14  O   LIG    1       -0.833  -0.315  -0.123  0.00  0.00    -0.479 OA
BRANCH  14  21
ATOM     15  O   LIG    1       -4.763   3.024   1.552  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.979   2.137   1.230  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -3.772   1.813  -0.087  0.00  0.00    -0.253 N 
ATOM     18  H   LIG    1       -4.242   2.400  -0.763  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -2.818   0.964  -0.605  0.00  0.00    +0.260 C 
ATOM     20  O   LIG    1       -2.615   0.946  -1.816  0.00  0.00    -0.271 OA
ATOM     21  C   LIG    1       -2.097   0.064   0.409  0.00  0.00    +0.259 C 
ATOM     22  C   LIG    1       -1.892   0.854   1.700  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -3.232   1.311   2.248  0.00  0.00    +0.100 C 
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 3