REMARK  Name = BDB045578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.688  -0.486  -0.241  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.369   0.003  -0.254  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.161   1.346  -0.550  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        0.199   1.502  -0.485  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.706   2.359  -0.653  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.780   0.304  -0.141  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -2.191   2.246  -0.837  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.495   1.742  -0.819  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.164  -0.609   0.011  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -3.746   0.399  -0.527  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.226   0.065   0.017  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        3.228   1.054   0.013  0.00  0.00    +0.052 A 
ATOM     13 CL   LIG    1        2.902   2.747  -0.169  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        4.579   0.705   0.170  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.955  -0.626   0.334  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.982  -1.617   0.343  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.636  -1.274   0.188  0.00  0.00    +0.013 A 
ENDBRANCH   6  11
BRANCH   1  21
ATOM     18  N   LIG    1       -4.023  -2.157   0.878  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -4.394  -1.436   1.480  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.111  -3.117   1.187  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -2.960  -1.907   0.048  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -2.300  -2.825  -0.417  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2