REMARK  Name = BDB031335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.454   2.337   0.230  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.177   2.540  -0.311  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.296   1.452  -0.394  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.034   1.413  -0.911  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.398   0.175  -0.751  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.588  -0.621  -0.166  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1       -1.681   0.205   0.084  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -2.961  -0.019   0.621  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.835   1.073   0.695  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.514  -2.006   0.144  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -0.059  -2.914  -0.823  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.017  -4.237  -0.449  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.404  -4.669   0.819  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -0.243  -6.048   0.868  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -0.435  -6.661   1.644  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        0.241  -6.491  -0.371  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1        0.495  -7.640  -0.685  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -0.859  -3.803   1.782  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        0.375  -5.353  -1.180  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        0.705  -5.382  -2.130  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -0.917  -2.448   1.433  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1        1.826  -0.255  -1.018  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        2.557   0.736  -1.954  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1        3.308   1.810  -1.173  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1        4.405   1.208  -0.281  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1        4.085  -0.230   0.153  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.582  -0.447   0.314  0.00  0.00    +0.014 C 
BRANCH  25  28
ATOM     28  O   LIG    1        4.573   1.988   0.910  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.180   3.252   0.676  0.00  0.00    +0.194 C 
ENDBRANCH  25  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1       -6.684   4.296   0.129  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1       -5.722   3.224   0.197  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1       -5.999   2.323  -0.166  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -4.374   3.505   0.304  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1       -3.925   4.638   0.420  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4