REMARK  Name = BDB046486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966   0.562  -0.705  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.106  -0.505  -0.972  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.271  -0.294  -1.114  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.803   0.990  -0.965  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.946   2.067  -0.721  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.429   1.851  -0.584  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.116  -0.720  -0.686  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.361   0.430  -0.545  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1        2.866   1.290  -0.377  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.718  -1.825  -1.034  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        7.327  -0.283   0.055  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        6.412   0.417   0.842  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        5.036   0.283   0.614  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.571  -0.549  -0.412  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        5.487  -1.266  -1.188  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        6.857  -1.126  -0.957  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        9.223   0.581   1.204  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.688  -0.239   0.172  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1       -3.260   1.256  -1.125  0.00  0.00    +0.256 C 
ATOM     20  N   LIG    1       -4.171   0.378  -0.516  0.00  0.00    -0.219 N 
ATOM     21  O   LIG    1       -3.558   2.238  -1.806  0.00  0.00    -0.269 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.855  -0.298   0.710  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -4.057  -1.683   0.879  0.00  0.00    +0.063 A 
ATOM     24 CL   LIG    1       -4.579  -2.709  -0.415  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -3.740  -2.299   2.095  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -3.217  -1.549   3.148  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.003  -0.182   2.990  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.317   0.440   1.780  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
BRANCH  20  29
ATOM     29  C   LIG    1       -5.574   0.414  -0.844  0.00  0.00    +0.135 A 
ATOM     30  N   LIG    1       -6.468  -0.004   0.084  0.00  0.00    -0.220 NA
ATOM     31  C   LIG    1       -7.765   0.030  -0.250  0.00  0.00    +0.223 A 
ATOM     32  N   LIG    1       -8.267   0.439  -1.419  0.00  0.00    -0.244 NA
ATOM     33  C   LIG    1       -7.359   0.839  -2.322  0.00  0.00    +0.116 A 
ATOM     34  C   LIG    1       -6.002   0.843  -2.089  0.00  0.00    +0.064 A 
ENDBRANCH  20  29
ENDBRANCH   4  19
TORSDOF 6