REMARK  Name = BDB049845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.239   0.026  -0.808  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        2.579  -1.304  -0.737  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        2.006  -2.066  -1.071  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        3.841  -1.409  -0.213  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.219  -0.093   0.050  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.486   0.137   0.614  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.334  -0.954   0.875  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.921  -2.257   0.590  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        4.660  -2.513   0.041  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.226   0.774  -0.353  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        5.918   1.502   0.952  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.266   2.239   1.676  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        7.124   1.888   0.430  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        7.342   2.871   0.534  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.521   1.404  -0.363  0.00  0.00    +0.145 HD
ENDBRANCH   6  11
BRANCH   1  18
ATOM     16  N   LIG    1       -0.122  -0.222  -0.982  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -0.024  -0.790  -0.151  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.986   0.541  -1.332  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        0.887   1.550  -2.025  0.00  0.00    -0.267 OA
BRANCH  16  23
ATOM     20  N   LIG    1       -4.305   0.556  -0.506  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -3.388   1.709  -0.584  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -1.926   1.339  -0.334  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -1.470   0.239  -1.300  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -2.449  -0.937  -1.293  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.885  -0.451  -1.495  0.00  0.00    +0.086 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.023   1.109   1.831  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -4.508   0.027   0.866  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -5.522  -1.131   0.893  0.00  0.00    +0.024 C 
ENDBRANCH  20  27
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 4