REMARK  Name = BDB012218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.601  -1.075  -0.514  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.078   0.033  -0.415  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.306   0.200  -0.402  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        1.962   1.493  -0.216  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1        3.473   1.375  -0.061  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1        4.064   0.563  -1.218  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.307  -0.748  -1.494  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        2.158  -0.981  -0.519  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        5.498   0.374  -1.065  0.00  0.00    -0.241 N 
ATOM     10  C   LIG    1        6.191  -0.360  -0.134  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        7.518  -0.134  -0.488  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        8.547  -0.736   0.249  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        8.206  -1.556   1.332  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.868  -1.768   1.671  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1        7.573   0.699  -1.570  0.00  0.00    -0.129 NA
ATOM     16  C   LIG    1        5.828  -1.175   0.945  0.00  0.00    +0.029 A 
ATOM     17  N   LIG    1        6.331   1.009  -1.914  0.00  0.00    -0.064 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -0.916   1.303  -0.310  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.425   1.056  -0.379  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.987   0.461   0.914  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.492   0.346   0.837  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1       -5.190   1.512   1.012  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -4.714   2.382   1.197  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -6.558   1.584   0.962  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -7.159   2.639   1.128  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -7.253   0.313   0.697  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -6.462  -0.826   0.527  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -7.095  -2.045   0.274  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.489  -2.119   0.194  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -9.265  -0.972   0.366  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.648   0.253   0.620  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -5.059  -0.791   0.601  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5