REMARK  Name = BDB032421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.770  -0.082   1.293  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.026  -0.917   2.322  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.045  -1.437   2.958  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        1.358  -1.159   2.613  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.603  -0.289   1.547  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.507   0.255   0.871  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.811   0.487   0.587  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.100   0.108   1.077  0.00  0.00    +0.234 C 
BRANCH   8  13
ATOM      9  C   LIG    1       -7.445   1.631  -2.333  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1       -6.267   1.442  -1.492  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1       -6.649   1.220  -0.090  0.00  0.00    +0.084 C 
ATOM     12  C   LIG    1       -5.578   0.492   0.737  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -4.172   0.792   0.218  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -4.055   0.392  -1.267  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -5.404   0.379  -1.998  0.00  0.00    +0.084 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  16
ATOM     16  C   LIG    1        3.014   0.033   1.126  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.613  -1.154   0.530  0.00  0.00    -0.339 N 
ATOM     18  H   LIG    1        2.961  -1.651  -0.075  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.894  -1.073  -0.030  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        5.834  -0.098   0.323  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        7.123  -0.150  -0.246  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        7.394  -1.203  -1.110  0.00  0.00    +0.140 A 
ATOM     23  N   LIG    1        8.684  -1.075  -1.549  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1        9.123  -1.722  -2.188  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        9.257   0.036  -0.984  0.00  0.00    +0.105 A 
ATOM     26  N   LIG    1        6.568  -2.198  -1.470  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1        8.312   0.624  -0.172  0.00  0.00    +0.068 A 
ATOM     28 CL   LIG    1        8.519   2.030   0.760  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        5.345  -2.090  -0.887  0.00  0.00    +0.136 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 6