REMARK  Name = BDB017300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174   0.430   1.374  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.063   0.247   2.587  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.551  -1.501  -1.174  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        4.517  -0.758  -1.789  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        3.333  -0.431  -1.055  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        3.243  -0.829   0.300  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.100  -0.523   1.058  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.014   0.164   0.501  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.087   0.560  -0.831  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.295  -1.538   0.891  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.225   0.266  -1.593  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.435  -1.875   0.163  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.618  -2.673  -1.432  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.629  -1.800  -1.966  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  C   LIG    1        4.676  -0.355  -3.246  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.017  -1.295  -4.165  0.00  0.00    +0.067 C 
ATOM     17  N   LIG    1        3.479  -2.009  -4.907  0.00  0.00    -0.196 NA
ENDBRANCH  15  16
ENDBRANCH   4  15
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.483   0.910   0.754  0.00  0.00    +0.077 C 
ATOM     19  C   LIG    1       -2.235  -0.170  -0.062  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.518   0.489  -0.614  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.371   1.129   0.487  0.00  0.00    +0.085 C 
ATOM     22  N   LIG    1       -3.654   2.107   1.320  0.00  0.00    -0.299 NA
ATOM     23  C   LIG    1       -2.391   1.537   1.835  0.00  0.00    +0.096 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.424   3.366   0.595  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -3.022   4.490   1.589  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -3.979   5.412   0.806  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.763   4.137   0.432  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
BRANCH  19  28
ATOM     28  C   LIG    1       -2.608  -1.466   0.709  0.00  0.00    +0.007 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.499  -2.526   0.885  0.00  0.00    -0.017 C 
ATOM     30  C   LIG    1       -2.039  -3.695   1.718  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -0.970  -3.056  -0.448  0.00  0.00    +0.007 C 
ENDBRANCH  28  29
ENDBRANCH  19  28
ENDBRANCH   1  18
TORSDOF 8