REMARK  Name = BDB046956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.428   0.446   0.292  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        0.330   1.327  -0.002  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.870   0.630   0.218  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.129   1.236   0.016  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.447   0.590   0.244  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.583  -0.770   0.321  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.554  -1.053   0.395  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.593  -1.778   0.016  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.406  -1.718   0.960  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -4.460   1.279   0.356  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -2.140   2.579  -0.410  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -0.966   3.284  -0.641  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.503  -0.629   0.636  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        0.269   2.669  -0.443  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.861  -0.742   0.700  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   1  17
ATOM     16  N   LIG    1        3.876   0.008   0.179  0.00  0.00    -0.093 NA
ATOM     17  C   LIG    1        2.839   0.794   0.210  0.00  0.00    +0.163 C 
BRANCH  16  19
ATOM     18  C   LIG    1        4.765  -2.099   0.122  0.00  0.00    +0.313 C 
ATOM     19  O   LIG    1        3.555  -1.353   0.175  0.00  0.00    -0.397 OA
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 2