REMARK  Name = BDB009779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.167  -0.631  -0.152  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.105   0.093  -0.447  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.192  -0.284   0.600  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.321  -1.819   0.766  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -0.284  -2.685   0.004  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -0.611  -2.879  -1.493  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.088  -2.007   0.142  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        2.069  -2.657   0.508  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.049   1.572  -0.821  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.211   2.604   0.116  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.205   3.946  -0.278  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.042   4.274  -1.620  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.032   5.924  -2.104  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.111   3.272  -2.572  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.104   1.931  -2.175  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.578   0.309   0.349  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.233   0.999   1.383  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.499   1.548   1.175  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.279   2.399   2.451  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.134   1.414  -0.056  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.501   0.721  -1.086  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.233   0.169  -0.885  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.437   0.007   0.302  0.00  0.00    +0.108 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.909   1.174  -0.531  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        4.356   1.248  -0.978  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        3.279   0.989  -1.986  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  28
ATOM     27  C   LIG    1        3.847   0.699   2.338  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        2.473   0.255   1.843  0.00  0.00    +0.132 C 
BRANCH  28  29
ATOM     29  O   LIG    1        1.503   1.218   2.258  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        1.623   1.353   3.215  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1       -0.197  -4.082   0.688  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.487  -4.860   0.711  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -2.458  -4.712  -0.011  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.474  -5.831   1.645  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -2.343  -6.274   1.546  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9