REMARK  Name = BDB031334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.722  -0.601  -0.039  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.755   0.409  -0.076  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.933  -1.267   0.010  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -2.115  -2.460   0.217  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.131  -0.400  -0.170  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.277  -0.698   0.585  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -5.367   0.116   0.396  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -5.356   1.181  -0.505  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -6.603   1.793  -0.458  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -6.920   2.584  -0.994  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -7.405   1.114   0.471  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -8.557   1.377   0.765  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -4.256   1.486  -1.270  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1       -6.621   0.075   0.995  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.949  -0.582   1.683  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.127   0.674  -1.100  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     17  C   LIG    1        2.980  -0.746   0.149  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.657  -0.279   0.071  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        0.569  -1.167   0.051  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        0.813  -2.538   0.104  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.122  -3.019   0.177  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.196  -2.130   0.198  0.00  0.00    +0.010 A 
BRANCH  17  26
ATOM     23  C   LIG    1        7.562   0.759  -0.088  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        6.132   0.864   0.075  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1        5.377  -0.241  -0.018  0.00  0.00    -0.171 NA
ATOM     26  C   LIG    1        4.116   0.183   0.176  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1        4.104   1.589   0.400  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.416   1.993   0.326  0.00  0.00    +0.108 A 
ENDBRANCH  17  26
ENDBRANCH   1  19
TORSDOF 3