REMARK  Name = BDB063220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.621  -0.219  -0.336  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        1.522   0.256   0.596  0.00  0.00    -0.268 N 
ATOM      3  H   LIG    1        1.170   0.627   1.480  0.00  0.00    +0.156 HD
ATOM      4  O   LIG    1        0.942  -0.685  -1.432  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.236  -0.540  -2.783  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1       -4.277  -0.996  -1.329  0.00  0.00    +0.018 C 
ATOM      7  C   LIG    1       -3.136  -0.521  -0.482  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1       -1.741  -0.578  -0.804  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.819  -0.132   0.072  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.276   0.419   1.398  0.00  0.00    +0.263 A 
ATOM     11  N   LIG    1       -2.656   0.412   1.645  0.00  0.00    -0.315 N 
ATOM     12  C   LIG    1       -3.150   0.918   2.917  0.00  0.00    +0.152 C 
ATOM     13  O   LIG    1       -0.447   0.842   2.204  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.545  -0.052   0.699  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -5.026  -0.119   0.853  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -5.486  -0.395  -0.584  0.00  0.00    +0.014 C 
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  C   LIG    1        2.886   0.255   0.393  0.00  0.00    +0.104 A 
ATOM     18  N   LIG    1        3.485  -0.214  -0.748  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        2.971  -0.597  -1.532  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1        4.852  -0.086  -0.664  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        5.130   0.485   0.578  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.473   0.729   0.925  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        7.486   0.392   0.020  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.177  -0.178  -1.214  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.852  -0.429  -1.581  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        3.884   0.696   1.234  0.00  0.00    +0.051 A 
ENDBRANCH   2  17
TORSDOF 2