REMARK  Name = BDB050473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.770  -1.253   1.331  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -0.708  -2.588   0.892  0.00  0.00    +0.062 A 
ATOM      3 CL   LIG    1        0.705  -3.197   0.095  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1       -1.779  -3.459   1.089  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -2.934  -3.006   1.726  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.029  -1.679   2.167  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.931  -0.819   1.978  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        0.489   0.925   1.384  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        0.352  -0.419   1.101  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.124  -0.888   0.636  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -0.377   1.645   1.874  0.00  0.00    -0.275 OA
BRANCH   8  15
ATOM     12  C   LIG    1        4.252   1.169  -1.731  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        3.577   1.160  -0.536  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        2.155   1.427  -0.462  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        1.845   1.512   1.030  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1        3.028   0.814   1.709  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        4.190   1.099   0.773  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        3.696   1.312  -2.811  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1        5.585   1.000  -1.553  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        6.182  -0.181  -3.635  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        6.492   0.981  -2.684  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        7.880   0.749  -2.065  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        6.500   2.330  -3.410  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -4.279  -1.181   2.867  0.00  0.00    +0.162 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.482  -1.256   2.034  0.00  0.00    -0.289 N 
ATOM     26  C   LIG    1       -5.761  -0.267   1.040  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -6.895  -0.405   0.230  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1       -7.208   0.531  -0.766  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -6.382   1.632  -0.963  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.254   1.793  -0.167  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.783  -1.560   0.431  0.00  0.00    +0.262 A 
ATOM     32  O   LIG    1       -8.771  -1.750  -0.268  0.00  0.00    -0.267 OA
ATOM     33  N   LIG    1       -7.437  -2.410   1.442  0.00  0.00    -0.274 N 
ATOM     34  H   LIG    1       -8.031  -3.214   1.579  0.00  0.00    +0.173 HD
ATOM     35  C   LIG    1       -4.946   0.854   0.827  0.00  0.00    +0.027 A 
ATOM     36  C   LIG    1       -6.324  -2.342   2.228  0.00  0.00    +0.330 A 
ATOM     37  O   LIG    1       -6.119  -3.236   3.049  0.00  0.00    -0.246 OA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6