REMARK  Name = BDB062721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.877   1.312  -0.925  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -2.272   0.150  -0.247  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.414  -0.957  -0.138  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -0.130  -0.914  -0.709  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1        0.825  -2.081  -0.653  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.268  -1.593  -0.691  0.00  0.00    +0.113 C 
ATOM      7  N   LIG    1        2.498  -0.694  -1.812  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1        1.594   0.328  -2.076  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        1.843   1.276  -2.816  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.258   0.241  -1.413  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -0.610   1.339  -1.519  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -1.901  -2.123   0.565  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -2.524  -3.309   0.082  0.00  0.00    +0.173 A 
ATOM     14  N   LIG    1       -2.825  -4.135   1.108  0.00  0.00    -0.167 NA
ATOM     15  N   LIG    1       -2.422  -3.470   2.205  0.00  0.00    -0.273 N 
ATOM     16  C   LIG    1       -2.611  -4.067   3.506  0.00  0.00    +0.172 C 
ATOM     17  C   LIG    1       -1.865  -2.257   1.934  0.00  0.00    +0.117 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -2.824  -3.635  -1.355  0.00  0.00    +0.437 C 
ATOM     19  F   LIG    1       -1.685  -3.771  -2.089  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -3.528  -4.787  -1.519  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -3.551  -2.652  -1.955  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH   3  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.801   2.498  -1.050  0.00  0.00    +0.158 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -1.056   4.064   0.971  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -2.487   3.713   1.157  0.00  0.00    +0.107 A 
ATOM     25  N   LIG    1       -3.235   3.002   0.245  0.00  0.00    -0.330 N 
ATOM     26  C   LIG    1       -4.504   2.884   0.751  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -4.466   3.518   1.968  0.00  0.00    +0.130 A 
ATOM     28  N   LIG    1       -3.218   4.024   2.210  0.00  0.00    -0.241 NA
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   7  29
ATOM     29  C   LIG    1        3.870  -0.560  -2.300  0.00  0.00    +0.163 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.783   0.141  -1.315  0.00  0.00    +0.059 A 
ATOM     31  N   LIG    1        5.470  -0.639  -0.439  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1        6.266  -0.013   0.456  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        6.408   1.362   0.533  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        5.690   2.147  -0.360  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        4.863   1.532  -1.296  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6