REMARK  Name = BDB047379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418   1.077  -0.017  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -0.147   2.365   0.687  0.00  0.00    +0.273 A 
ATOM      3  O   LIG    1       -0.963   3.175   1.085  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1        1.215   2.462   0.767  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        1.756   3.258   1.085  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        1.815   1.341   0.223  0.00  0.00    -0.208 N 
ATOM      7  C   LIG    1        3.199   1.324   0.155  0.00  0.00    +0.336 C 
ATOM      8  N   LIG    1        3.842   0.100   0.030  0.00  0.00    -0.278 N 
ATOM      9  C   LIG    1        3.493  -1.011   0.928  0.00  0.00    +0.137 C 
ATOM     10  C   LIG    1        4.699  -1.433   1.778  0.00  0.00    +0.179 C 
ATOM     11  O   LIG    1        5.805  -1.885   0.981  0.00  0.00    -0.377 OA
ATOM     12  C   LIG    1        5.894  -1.246  -0.303  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1        5.266   0.149  -0.319  0.00  0.00    +0.137 C 
ATOM     14  O   LIG    1        3.843   2.376   0.237  0.00  0.00    -0.248 OA
ATOM     15  C   LIG    1        0.799   0.551  -0.282  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        1.061  -0.669  -1.101  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  25
ATOM     17  C   LIG    1       -5.643  -0.720  -2.659  0.00  0.00    +0.113 C 
ATOM     18  C   LIG    1       -4.195  -0.381  -2.769  0.00  0.00    +0.229 C 
ATOM     19  N   LIG    1       -3.498  -0.046  -1.584  0.00  0.00    -0.287 N 
ATOM     20  C   LIG    1       -3.911  -0.024  -0.242  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -2.818   0.417   0.529  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.966   0.551   1.929  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.179   0.241   2.543  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.246  -0.204   1.781  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -1.724   0.631  -0.350  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.132  -0.343   0.393  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -2.163   0.345  -1.616  0.00  0.00    +0.103 A 
ATOM     28  O   LIG    1       -3.588  -0.382  -3.837  0.00  0.00    -0.273 OA
ENDBRANCH   1  25
TORSDOF 1