REMARK  Name = BDB022917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.728  -2.634   0.008  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.435  -2.256  -0.362  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.439  -3.296  -0.936  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        1.162  -4.092   0.158  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        1.416  -2.689  -1.957  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.080  -1.448  -1.454  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        1.523  -0.677  -0.453  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        2.093   0.470  -0.019  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        3.228   0.864  -0.610  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        3.833   0.182  -1.591  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.242  -0.955  -1.999  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.241  -1.093   0.229  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -2.142  -3.773  -0.215  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.150  -0.610  -0.469  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -2.644  -1.571   0.635  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.793  -2.236   1.415  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -4.930  -2.746   0.531  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -5.431  -1.679  -0.341  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -6.573  -2.154  -1.124  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.367  -1.190  -1.230  0.00  0.00    +0.093 C 
BRANCH  14  25
ATOM     21  C   LIG    1       -4.013   4.730   1.597  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -3.772   3.357   1.046  0.00  0.00    +0.038 A 
ATOM     23  N   LIG    1       -4.677   2.400   1.345  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1       -4.466   1.158   0.845  0.00  0.00    +0.115 A 
ATOM     25  C   LIG    1       -3.377   0.801   0.056  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -2.461   1.818  -0.238  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.656   3.105   0.259  0.00  0.00    +0.023 A 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        3.763   2.048  -0.138  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.330   2.234   0.759  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.212   2.199  -0.196  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        5.908   1.320   0.848  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.398   1.627   0.879  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.622   3.012   1.139  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.066   3.850   0.126  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.558   3.671   0.053  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4