REMARK  Name = BDB061871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.575   0.293   0.450  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.128   0.631   0.341  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.272   1.945   0.031  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.640   2.227  -0.100  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.606   1.234   0.093  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.237  -0.061   0.444  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.713   2.966  -0.118  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.315   4.332  -0.418  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.059   2.703   0.062  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.954   3.545  -0.005  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.869  -0.345   0.561  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.445   1.304   0.335  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.901  -1.051   0.644  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -1.375  -1.621  -0.023  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.237  -1.656   0.814  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1       -3.895  -1.218   2.116  0.00  0.00    +0.038 C 
BRANCH  15  20
ATOM     17  C   LIG    1       -6.053  -0.627  -1.596  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1       -5.276  -0.878  -0.407  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1       -5.473  -0.303   0.400  0.00  0.00    +0.148 HD
ATOM     20  C   LIG    1       -4.070  -1.542  -0.486  0.00  0.00    +0.233 C 
ATOM     21  O   LIG    1       -3.652  -2.020  -1.544  0.00  0.00    -0.274 OA
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1        3.166  -1.103   0.632  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.837  -1.808   1.290  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.478  -1.289   0.141  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.447  -1.986   0.886  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.728  -2.091   0.359  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        8.013  -2.913   1.161  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        7.112  -1.568  -0.827  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        6.173  -0.906  -1.526  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.869  -0.740  -1.088  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.128  -2.567   2.151  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        4.811  -3.036   3.164  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6