REMARK  Name = BDB058456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.141   2.173   0.167  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.474   0.926  -0.071  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.091   0.719   0.001  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.841  -0.621  -0.291  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.561  -1.138  -0.300  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.506  -0.272  -0.000  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        0.233   1.088   0.289  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -3.070  -1.242  -0.547  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -3.248  -2.624  -0.883  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1       -1.073   1.597   0.296  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.105  -0.290  -0.413  0.00  0.00    +0.330 A 
ATOM     12  O   LIG    1       -5.301  -0.480  -0.563  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.820  -0.784  -0.052  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.866  -1.775   0.183  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.063  -0.157  -0.300  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        4.252  -0.632   0.285  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.429   0.060   0.032  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1        6.956  -0.407   0.681  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        5.514   1.165  -0.742  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        4.368   1.605  -1.294  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        3.142   0.990  -1.100  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.250  -1.792   1.118  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.193  -2.750   1.770  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 3