REMARK  Name = BDB031273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.604  -1.051  -0.500  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.195   0.265  -0.249  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.831   0.521  -0.033  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.224   1.717   0.212  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.054   1.444   0.397  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1       -0.323   0.103   0.141  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        0.907  -0.519  -0.068  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.293  -1.835  -0.371  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.657  -2.079  -0.576  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.592  -0.519  -0.002  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.580   0.114  -0.776  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.779  -0.547  -0.897  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.016  -1.782  -0.296  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.313  -2.169  -0.610  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.786  -3.014  -0.333  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.897  -1.179  -1.415  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -7.024  -1.188  -1.875  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.065  -2.426   0.459  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.930  -0.178  -1.583  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -5.079   0.657  -2.127  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -1.830  -1.780   0.602  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.019   2.558   0.941  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -2.305   2.421   1.413  0.00  0.00    +0.094 A 
ATOM     24  N   LIG    1       -2.750   3.662   1.805  0.00  0.00    -0.366 N 
ATOM     25  H   LIG    1       -3.662   3.859   2.197  0.00  0.00    +0.165 HD
ATOM     26  C   LIG    1       -1.756   4.584   1.611  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1       -0.666   3.925   1.089  0.00  0.00    +0.030 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     28  C   LIG    1        7.377  -0.861  -0.244  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        5.971  -0.551  -0.167  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        5.675   0.104   0.544  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        5.036  -1.392  -0.735  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.331  -2.396  -1.375  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3