REMARK  Name = BDB009568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.755  -0.752   0.326  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.523  -0.001   0.209  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.725  -0.759   0.874  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.572  -2.290   0.818  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.616  -2.725  -0.286  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.754  -2.113  -0.017  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.782  -2.771  -0.162  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.470   1.427   0.758  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.267   1.688   2.124  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.227   3.000   2.603  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.387   4.064   1.719  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.332   5.680   2.309  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.584   3.828   0.362  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.627   2.516  -0.116  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -3.068  -0.295   0.311  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.482  -0.610  -0.993  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.710  -0.153  -1.475  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.199  -0.555  -3.076  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.541   0.626  -0.675  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -5.140   0.953   0.618  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.914   0.497   1.107  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.050  -0.025   0.169  0.00  0.00    +0.093 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.714  -0.356   2.625  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        3.138  -0.485   1.169  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.579  -0.106  -1.290  0.00  0.00    +0.126 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.514   0.959  -1.615  0.00  0.00    -0.314 N 
ATOM     27  H   LIG    1        4.496   0.808  -1.424  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        3.081   2.192  -2.041  0.00  0.00    +0.210 C 
ATOM     29  O   LIG    1        1.900   2.473  -2.216  0.00  0.00    -0.276 OA
ATOM     30  C   LIG    1        4.182   3.191  -2.272  0.00  0.00    +0.109 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  31
ATOM     31  C   LIG    1       -0.533  -4.257  -0.347  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.191  -4.790  -1.556  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1        0.750  -5.873  -1.625  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        0.097  -4.009  -2.648  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        0.608  -4.503  -3.324  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9