REMARK  Name = BDB056961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.302  -0.920   0.561  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.024   0.350   0.065  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        1.204   1.013  -0.121  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        1.194   2.228  -0.323  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -1.193   0.963  -0.265  0.00  0.00    -0.141 NA
ATOM      6  C   LIG    1       -2.103   0.002  -0.063  0.00  0.00    +0.184 A 
ATOM      7  N   LIG    1       -1.580  -1.168   0.435  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.534   0.363  -0.096  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        3.574   0.989   0.604  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.849   0.410   0.596  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        5.093  -0.775  -0.111  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        4.055  -1.379  -0.824  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        2.780  -0.808  -0.825  0.00  0.00    +0.013 A 
BRANCH  10  14
ATOM     14  N   LIG    1        5.940   1.048   1.341  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1        5.642   1.952   2.133  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        7.090   0.632   1.143  0.00  0.00    -0.126 OA
ENDBRANCH  10  14
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1       -3.530   0.164  -0.330  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -4.040   1.377  -0.816  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -5.407   1.525  -1.069  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.278   0.462  -0.839  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.785  -0.749  -0.356  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.419  -0.898  -0.103  0.00  0.00    +0.011 A 
ENDBRANCH   6  17
BRANCH   1  23
ATOM     23  N   LIG    1        0.589  -1.769   1.123  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        0.141  -2.578   1.556  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        1.292  -1.390   1.753  0.00  0.00    +0.145 HD
ENDBRANCH   1  23
TORSDOF 4