REMARK  Name = BDB047059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.663   2.216   1.177  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.567   2.405   0.330  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.042   1.335  -0.430  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.088   1.216  -1.296  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        0.092  -0.089  -1.775  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -1.002  -0.775  -1.236  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -1.365  -2.116  -1.534  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -0.480  -2.887  -1.905  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        1.033  -0.730  -2.746  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -1.667   0.088  -0.357  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.741  -0.122   0.532  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.232   0.955   1.282  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -2.740  -2.663  -1.464  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.936  -3.946  -0.939  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.222  -4.490  -0.891  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -5.302  -3.757  -1.382  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -6.886  -4.425  -1.320  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.108  -2.488  -1.929  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -3.824  -1.941  -1.980  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -4.159   3.201   2.743  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.061   3.339   1.850  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        1.062   2.312  -1.624  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.076   2.340  -0.503  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        3.069   1.353  -0.403  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.987   1.376   0.647  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        3.970   2.412   1.575  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        3.000   3.407   1.481  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.056   3.369   0.452  0.00  0.00    +0.004 A 
BRANCH  25  29
ATOM     29  O   LIG    1        4.969   0.431   0.770  0.00  0.00    -0.478 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.446  -0.889   0.973  0.00  0.00    +0.278 C 
ATOM     31  C   LIG    1        4.933  -1.765  -0.176  0.00  0.00    +0.064 C 
BRANCH  30  32
ATOM     32  C   LIG    1        4.950  -1.446   2.303  0.00  0.00    +0.346 C 
ATOM     33  O   LIG    1        5.337  -2.586   2.520  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1        4.891  -0.561   3.322  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1        5.236  -1.060   4.091  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8