REMARK  Name = BDB021017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.343   0.019  -0.838  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.597  -0.189  -0.234  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.641   0.741  -0.423  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.991   0.898   0.000  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.565   1.985  -0.537  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        3.583   2.541  -1.266  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        3.844   3.761  -1.990  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.403   1.841  -1.247  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        1.172   2.066  -1.878  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.150   1.134  -1.659  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  23
ATOM     11  C   LIG    1       -7.070   2.245   1.307  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -6.220   1.143   0.926  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1       -6.242   0.348   1.547  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -4.967   1.404   0.428  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1       -4.220   0.270   0.137  0.00  0.00    -0.278 N 
ATOM     16  C   LIG    1       -2.873   0.527  -0.374  0.00  0.00    +0.164 C 
ATOM     17  C   LIG    1       -2.056  -0.716  -0.407  0.00  0.00    +0.064 A 
ATOM     18  N   LIG    1       -2.596  -1.963  -0.199  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -1.593  -2.894  -0.251  0.00  0.00    +0.108 A 
ATOM     20  N   LIG    1       -0.441  -2.305  -0.493  0.00  0.00    -0.232 NA
ATOM     21  C   LIG    1       -1.799  -4.348  -0.044  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -3.993  -2.189   0.106  0.00  0.00    +0.142 C 
ATOM     23  C   LIG    1       -0.709  -0.957  -0.605  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1       -4.837  -0.988  -0.299  0.00  0.00    +0.131 C 
ATOM     25  O   LIG    1       -4.546   2.546   0.267  0.00  0.00    -0.253 OA
ENDBRANCH   1  23
BRANCH   4  26
ATOM     26  C   LIG    1        4.740   0.021   0.897  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.109  -0.085   1.016  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        6.333  -1.011   1.988  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.612  -1.470   2.470  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        5.204  -1.510   2.526  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.234  -0.869   1.862  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 2