REMARK  Name = BDB057069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.023  -1.781  -0.137  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.645  -0.865   0.395  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.997   0.248   0.942  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -3.016  -0.864   0.530  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -3.365  -0.418   1.363  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.485   0.291   0.920  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.084   0.438  -0.488  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.608   0.345  -0.400  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        3.092  -0.938   0.130  0.00  0.00    -0.298 NA
ATOM     10  C   LIG    1        2.066  -1.710   0.841  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.140  -0.861   1.711  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.329  -0.796   0.911  0.00  0.00    +0.119 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.498  -0.266   0.106  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        5.926  -0.932  -1.052  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.012  -0.455  -1.787  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.686   0.692  -1.370  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.274   1.361  -0.218  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.187   0.884   0.517  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  19
ATOM     19  C   LIG    1       -3.930  -1.711  -0.132  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -5.239  -1.763   0.363  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -6.218  -2.562  -0.256  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -5.865  -3.318  -1.381  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.567  -3.259  -1.886  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.607  -2.455  -1.268  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -7.614  -2.630   0.308  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -7.740  -3.589   1.266  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -8.562  -2.907  -0.629  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -8.006  -1.464   0.896  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH   4  19
BRANCH   3  29
ATOM     29  C   LIG    1       -1.674   1.507   1.289  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.587   2.555   0.204  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -0.902   3.758   0.432  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -0.824   4.729  -0.568  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.429   4.511  -1.803  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.116   3.322  -2.041  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.197   2.350  -1.043  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7