REMARK  Name = BDB007187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.771  -0.775  -1.131  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.468  -0.222   0.125  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -2.218   0.346   0.381  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.229   0.320  -0.605  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        0.141   0.951  -0.409  0.00  0.00    +0.142 C 
ATOM      6  N   LIG    1        1.168   0.034  -0.967  0.00  0.00    -0.260 N 
ATOM      7  C   LIG    1        0.977  -0.476  -2.267  0.00  0.00    +0.225 C 
ATOM      8  C   LIG    1       -0.406  -0.259  -2.877  0.00  0.00    +0.132 C 
ATOM      9  O   LIG    1        1.812  -1.099  -2.925  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -1.504  -0.271  -1.847  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -2.775  -0.801  -2.113  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        0.279   2.380  -0.977  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        1.542   3.005  -1.000  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        1.701   4.308  -1.484  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.596   5.016  -1.941  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        0.789   6.618  -2.535  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.667   4.435  -1.910  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.825   3.131  -1.425  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1        2.363  -0.235  -0.209  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.355  -0.254   1.189  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.527  -0.494   1.930  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        4.767  -0.739   1.323  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.760  -0.710  -0.078  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.592  -0.474  -0.826  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        5.934  -0.954   2.063  0.00  0.00    -0.336 N 
ATOM     26  C   LIG    1        5.821  -1.288   3.482  0.00  0.00    +0.129 C 
ATOM     27  C   LIG    1        7.111  -1.494   1.383  0.00  0.00    +0.129 C 
ENDBRANCH  22  25
ENDBRANCH   6  19
BRANCH   1  29
ATOM     28  C   LIG    1       -5.402  -1.735  -2.585  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.047  -1.243  -1.300  0.00  0.00    -0.491 OA
ENDBRANCH   1  29
BRANCH   2  30
ATOM     30  O   LIG    1       -4.394  -0.121   1.133  0.00  0.00    -0.486 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.744  -1.398   1.694  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -4.035  -1.542   3.038  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.257  -1.418   1.885  0.00  0.00    +0.051 C 
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 6