REMARK  Name = BDB007846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.641  -0.992   0.390  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.539  -1.692   0.054  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.653  -1.037  -0.018  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.869  -1.827  -0.387  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -2.843  -1.017  -1.102  0.00  0.00    -0.277 N 
ATOM      6  C   LIG    1       -3.154   0.249  -0.578  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -2.131   0.880   0.165  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.261   0.753  -0.779  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.828   0.303   0.285  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.329   1.006   0.626  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.569   0.355   0.690  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.376   2.156   0.773  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.048   3.172   0.078  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.301   4.410   0.680  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.895   4.638   1.991  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.205   6.159   2.732  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.244   3.639   2.708  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.991   2.403   2.104  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.111  -1.618   0.612  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        2.777  -1.791   0.427  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        2.536  -2.770   0.325  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        4.779  -2.650   0.770  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        4.789  -0.230   0.621  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        4.703   0.450  -0.745  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        7.173  -0.758   0.161  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        6.182  -0.326   1.142  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        6.173  -1.025   1.891  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -3.887  -1.704  -1.886  0.00  0.00    +0.072 C 
ATOM     29  C   LIG    1       -3.312  -2.608  -2.977  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1       -4.858  -2.478  -0.991  0.00  0.00    +0.028 C 
ENDBRANCH   5  28
TORSDOF 5