REMARK  Name = BDB012468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.329  -1.618  -0.646  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -1.324  -0.677  -0.920  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.631   0.738  -1.375  0.00  0.00    +0.164 C 
ATOM      4  N   LIG    1       -1.916   1.641  -0.265  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -3.191   2.003   0.138  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -3.004   2.564   1.397  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -4.115   3.004   2.133  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.391   2.879   1.572  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.558   2.322   0.305  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -1.678   2.593   1.731  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1       -4.462   1.869  -0.439  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.036   2.155   0.670  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        0.337   2.142   0.635  0.00  0.00    -0.252 N 
ATOM     14  H   LIG    1        0.764   2.348   1.529  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        1.069   2.444  -0.492  0.00  0.00    +0.250 C 
ATOM     16  C   LIG    1        2.530   2.140  -0.396  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.985   1.142   0.473  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        4.274   0.596   0.342  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        4.626  -0.682   1.089  0.00  0.00    +0.182 C 
ATOM     20  N   LIG    1        3.870  -1.848   0.599  0.00  0.00    -0.225 N 
ATOM     21  C   LIG    1        4.506  -3.052   0.343  0.00  0.00    +0.268 A 
ATOM     22  O   LIG    1        5.704  -3.269   0.504  0.00  0.00    -0.266 OA
ATOM     23  C   LIG    1        3.640  -4.141  -0.175  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        2.330  -3.965  -0.373  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        1.795  -2.635  -0.032  0.00  0.00    +0.092 A 
ATOM     26  C   LIG    1        0.355  -2.353  -0.281  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -0.652  -3.278  -0.024  0.00  0.00    +0.013 A 
ATOM     28  N   LIG    1        2.514  -1.674   0.448  0.00  0.00    -0.168 NA
ATOM     29  C   LIG    1        5.156   1.174  -0.578  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.738   2.238  -1.384  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.420   2.700  -1.316  0.00  0.00    +0.013 A 
ATOM     32  O   LIG    1        0.617   2.894  -1.538  0.00  0.00    -0.270 OA
ATOM     33  C   LIG    1        0.014  -1.068  -0.738  0.00  0.00    +0.019 A 
ATOM     34  C   LIG    1       -1.989  -2.912  -0.218  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  36
ATOM     35  C   LIG    1       -4.587  -1.764   0.022  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -3.621  -1.229  -0.880  0.00  0.00    -0.495 OA
ENDBRANCH   1  36
TORSDOF 1