REMARK  Name = BDB050010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088  -0.127  -0.013  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.497  -0.334  -1.264  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.797  -0.852  -1.384  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.522  -1.170  -0.210  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.822  -1.686  -0.379  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -4.371  -1.875  -1.662  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -3.641  -1.556  -2.799  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.953  -0.970   1.009  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -2.357  -1.045  -2.658  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.694  -0.468   1.080  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.059   1.467   0.420  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.822   0.361  -0.397  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.532  -0.159  -0.540  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.444   0.416   0.134  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        1.696   1.529   0.953  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.989   2.050   1.096  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.656   2.996   1.292  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.363   1.873   0.470  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1       -4.702  -2.066   0.770  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -5.832  -2.509   0.594  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -4.218  -1.910   2.034  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.796  -2.164   2.821  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -3.280  -1.545   2.188  0.00  0.00    +0.145 HD
ENDBRANCH   5  19
TORSDOF 3