REMARK  Name = BDB044078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.303  -3.575  -0.312  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.531  -2.315  -0.142  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.927  -0.990  -0.063  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.255  -0.192   0.074  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.345  -1.058   0.078  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1       -0.839  -2.334  -0.048  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1       -1.410  -3.168  -0.054  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.282  -0.535  -0.129  0.00  0.00    +0.052 A 
ATOM      9  N   LIG    1        3.177  -1.098   0.751  0.00  0.00    -0.321 N 
ATOM     10  H   LIG    1        2.846  -1.792   1.409  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1        4.510  -0.771   0.831  0.00  0.00    +0.267 A 
ATOM     12  O   LIG    1        5.250  -1.314   1.645  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        4.992   0.271  -0.121  0.00  0.00    +0.116 A 
ATOM     14  C   LIG    1        4.108   0.815  -0.976  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.721   0.406  -0.983  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.354   0.663  -0.103  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        7.457   1.025  -0.137  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   3   8
BRANCH   4  18
ATOM     18  C   LIG    1       -0.369   1.255   0.203  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        0.273   1.918   1.257  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        0.181   3.306   1.376  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.552   4.039   0.444  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.193   3.386  -0.608  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.101   1.999  -0.730  0.00  0.00    +0.008 A 
ENDBRANCH   4  18
BRANCH   5  24
ATOM     24  C   LIG    1       -2.784  -0.831   0.221  0.00  0.00    -0.001 A 
ATOM     25  C   LIG    1       -3.286  -0.079   1.289  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.660   0.130   1.427  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.545  -0.413   0.497  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.058  -1.163  -0.571  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.683  -1.372  -0.709  0.00  0.00    +0.010 A 
ENDBRANCH   5  24
TORSDOF 4