REMARK  Name = BDB057126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.043   1.175  -0.447  0.00  0.00    +0.193 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.522   0.878  -0.630  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -2.219   0.018   0.242  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -3.576  -0.255   0.051  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -4.238   0.326  -1.037  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -3.557   1.165  -1.920  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.206   1.435  -1.721  0.00  0.00    +0.006 A 
BRANCH   4   8
ATOM      8  N   LIG    1       -4.340  -1.095   0.885  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -5.316  -1.216   0.628  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.956  -1.719   2.056  0.00  0.00    +0.232 C 
ATOM     11  O   LIG    1       -2.848  -1.636   2.582  0.00  0.00    -0.274 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.012  -2.623   2.676  0.00  0.00    +0.204 C 
ATOM     13 CL   LIG    1       -6.664  -2.205   2.160  0.00  0.00    -0.116 Cl
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        0.439   2.924   2.982  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1        0.084   2.712   1.586  0.00  0.00    -0.301 N 
ATOM     16  C   LIG    1        0.347   1.455   1.036  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        0.881   0.565   1.711  0.00  0.00    -0.273 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -0.723   3.756   0.951  0.00  0.00    +0.135 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.171   3.807   1.449  0.00  0.00    +0.174 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.887   4.844   0.784  0.00  0.00    -0.393 OA
ATOM     21  H   LIG    1       -2.541   5.695   1.104  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  16
BRANCH   1  22
ATOM     22  N   LIG    1        0.728   0.038  -0.924  0.00  0.00    -0.266 N 
ATOM     23  H   LIG    1        0.597  -0.843  -0.445  0.00  0.00    +0.153 HD
ATOM     24  C   LIG    1        1.984   0.213  -1.413  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.469   1.283  -1.748  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.614  -0.983  -1.455  0.00  0.00    -0.446 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.963  -0.905  -1.922  0.00  0.00    +0.269 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.574  -2.282  -1.859  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1        4.670  -2.958  -0.633  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.246  -4.227  -0.565  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.734  -4.834  -1.721  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.645  -4.172  -2.944  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.069  -2.902  -3.014  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  22
TORSDOF 11