REMARK  Name = BDB006872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.186   0.796  -0.649  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.530   0.607  -0.361  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.208  -0.097   0.672  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.599   0.035   0.488  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -4.495  -0.566   1.370  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -4.000  -1.303   2.444  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.621  -1.429   2.623  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -2.024  -2.343   3.956  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.872   0.864  -0.718  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -5.026   0.596  -1.652  0.00  0.00    +0.014 C 
ATOM     11  C   LIG    1       -5.024   1.835  -0.801  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -1.714  -0.829   1.742  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.514   1.242  -1.269  0.00  0.00    +0.125 C 
ATOM     14  O   LIG    1        0.136   1.470  -1.637  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.867   0.150   0.263  0.00  0.00    +0.181 C 
BRANCH  15  22
ATOM     16  C   LIG    1        5.634  -0.166   1.593  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        4.670   0.093   0.437  0.00  0.00    +0.065 C 
ATOM     18  N   LIG    1        4.927  -0.916  -0.612  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1        5.577  -0.507  -1.284  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        3.692  -1.300  -1.313  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        2.633  -0.181  -1.425  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        2.257   0.450  -0.142  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1        3.203   0.105   0.935  0.00  0.00    +0.103 C 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 2