REMARK  Name = BDB046281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.805   1.990   2.400  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -0.254   1.544   1.945  0.00  0.00    +0.232 C 
ATOM      3  N   LIG    1       -1.395   1.915   2.601  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.201   2.523   3.384  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.726   1.578   2.350  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -3.051   0.767   1.328  0.00  0.00    -0.230 NA
ATOM      7  C   LIG    1       -4.364   0.473   1.131  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1       -5.374   0.979   1.949  0.00  0.00    +0.068 A 
ATOM      9  N   LIG    1       -6.712   0.649   1.712  0.00  0.00    -0.320 N 
ATOM     10  H   LIG    1       -7.449   1.014   2.302  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -7.122  -0.174   0.687  0.00  0.00    +0.257 A 
ATOM     12  C   LIG    1       -6.071  -0.733  -0.209  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -6.452  -1.573  -1.264  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -5.484  -2.105  -2.113  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.141  -1.799  -1.910  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.761  -0.961  -0.857  0.00  0.00    +0.011 A 
ATOM     17  O   LIG    1       -8.310  -0.432   0.524  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1       -5.031   1.815   3.001  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -4.718  -0.411   0.014  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -3.686   2.118   3.204  0.00  0.00    +0.046 A 
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -0.335   0.620   0.718  0.00  0.00    +0.180 C 
BRANCH  21  22
ATOM     22  N   LIG    1        0.956   0.301   0.069  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        1.825  -0.549   0.889  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        3.301  -0.505   0.464  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        3.417  -0.312  -1.054  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1        2.741   1.014  -1.467  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        1.646   1.459  -0.488  0.00  0.00    +0.086 C 
BRANCH  25  28
ATOM     28  N   LIG    1        4.766  -0.401  -1.637  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1        5.812   0.376  -0.975  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        7.068  -0.117  -1.677  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        6.759  -1.559  -2.065  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        5.290  -1.764  -1.715  0.00  0.00    +0.085 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 4