REMARK  Name = BDB009652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.616   0.017  -1.075  0.00  0.00    -0.248 N 
ATOM      2  C   LIG    1       -0.379   0.865  -0.401  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -1.381  -0.014   0.397  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -2.027  -0.996  -0.613  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -1.006  -1.815  -1.446  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -1.773  -2.448  -2.625  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.116  -0.900  -1.998  0.00  0.00    +0.228 C 
ATOM      8  O   LIG    1        0.565  -1.031  -3.134  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.208  -1.856  -1.296  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        4.106  -1.182  -0.536  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1        2.899  -0.869  -1.172  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        1.861  -0.283  -0.449  0.00  0.00    +0.128 A 
ATOM     13  N   LIG    1        1.986  -0.029   0.873  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        3.158  -0.336   1.472  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        4.231  -0.913   0.822  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1        0.184   2.142   0.225  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1        0.258   2.349   1.611  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.772   3.541   2.132  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.226   4.535   1.272  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        1.862   5.999   1.916  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        1.176   4.349  -0.106  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.661   3.159  -0.625  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   3  23
ATOM     23  C   LIG    1       -2.506   0.718   1.122  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1       -3.232   1.762   0.526  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -4.259   2.398   1.225  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -5.133   3.677   0.476  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -4.586   2.003   2.519  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.882   0.962   3.119  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.853   0.321   2.425  0.00  0.00    +0.004 A 
ENDBRANCH   3  23
BRANCH   5  30
ATOM     30  C   LIG    1       -0.399  -2.918  -0.547  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.483  -3.907  -1.278  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        1.671  -3.738  -1.492  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.166  -5.026  -1.671  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -1.115  -5.053  -1.450  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6