REMARK  Name = BDB057120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.780   1.500   0.050  0.00  0.00    +0.016 A 
ATOM      2  C   LIG    1       -1.756   2.279  -0.640  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.320   3.312  -1.511  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.258   4.107  -2.190  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -3.627   3.894  -2.035  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.073   2.880  -1.201  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.050   3.542  -1.697  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.999   2.755  -1.052  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.151   2.084  -0.515  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.585   1.729  -0.207  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.171   0.413   1.034  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -1.472  -0.842   0.347  0.00  0.00    -0.310 NA
ATOM     13  H   LIG    1       -0.657  -1.127  -0.200  0.00  0.00    +0.122 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.790  -1.911   1.298  0.00  0.00    +0.109 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.796  -3.270   0.586  0.00  0.00    +0.171 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.505  -3.567   0.052  0.00  0.00    -0.394 OA
ATOM     17  H   LIG    1        0.134  -3.482   0.781  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH  10  18
ATOM     18  O   LIG    1        1.518   0.954   0.435  0.00  0.00    -0.487 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.293   0.182  -0.492  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.799  -1.053   0.217  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        3.492  -0.944   1.433  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        3.971  -2.083   2.083  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        3.766  -3.339   1.518  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        4.349  -4.745   2.321  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        3.087  -3.465   0.308  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        2.607  -2.325  -0.342  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 8