REMARK  Name = BDB028344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.555  -0.431  -0.821  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.617  -0.428   0.096  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.586   0.583   0.044  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.500   1.563  -0.944  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.544   2.598  -1.025  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.560   2.503  -0.106  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.290   3.208  -0.146  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.665   1.574   0.881  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.504   3.481  -1.874  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.447   1.560  -1.866  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.736   0.669   0.982  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.475   0.561  -1.804  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        1.767  -1.385  -0.400  0.00  0.00    +0.081 A 
ATOM     14  N   LIG    1        2.274  -2.657  -0.567  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.506  -3.220  -0.070  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        1.391  -3.525  -1.108  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.274  -2.814  -1.224  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.431  -1.488  -0.773  0.00  0.00    +0.028 A 
BRANCH  13  23
ATOM     19  C   LIG    1        5.169   2.204   0.988  0.00  0.00    +0.174 C 
ATOM     20  N   LIG    1        3.964   1.447   0.735  0.00  0.00    -0.255 N 
ATOM     21  C   LIG    1        3.843   0.204   0.175  0.00  0.00    +0.136 A 
ATOM     22 CL   LIG    1        5.245  -0.557  -0.421  0.00  0.00    -0.062 Cl
ATOM     23  C   LIG    1        2.502  -0.100   0.133  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        1.895   1.066   0.665  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        2.774   1.997   1.045  0.00  0.00    -0.178 NA
ENDBRANCH  13  23
ENDBRANCH   1  18
BRANCH  11  26
ATOM     26  C   LIG    1       -3.879  -0.348   2.113  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.721  -1.459   1.664  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -4.362  -1.853   0.797  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -5.644  -1.082   1.435  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4