REMARK  Name = BDB027977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298  -0.070   0.175  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        1.119   0.498   0.048  0.00  0.00    +0.132 C 
ATOM      3  N   LIG    1        1.962  -0.671  -0.072  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.210  -1.771  -0.511  0.00  0.00    +0.221 C 
ATOM      5  O   LIG    1        1.573  -2.909  -0.767  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.218  -1.315  -0.701  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.370  -0.627   0.122  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        4.020   0.592   0.380  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.405   0.651   0.576  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.168  -0.509   0.518  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.545  -1.726   0.264  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.160  -1.782   0.068  0.00  0.00    +0.023 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.341   0.882  -0.234  0.00  0.00    -0.301 NA
ATOM     14  H   LIG    1       -1.182   1.765   0.262  0.00  0.00    +0.123 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -6.563   1.223   1.330  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.436   0.912   0.957  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.409   0.770   1.855  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.641   1.040   2.802  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.069   0.793   1.555  0.00  0.00    +0.236 C 
ATOM     20  O   LIG    1       -2.239   1.112   2.405  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1       -2.703   0.417   0.108  0.00  0.00    +0.141 C 
ATOM     22  C   LIG    1       -3.699   1.094  -0.832  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.109   0.636  -0.492  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3