REMARK  Name = BDB042531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.951   0.241   0.119  0.00  0.00    -0.040 C 
ATOM      2  C   LIG    1        2.746  -0.662   0.043  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1        1.638  -0.065  -0.827  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        1.399   1.343  -0.503  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.149   1.954  -0.565  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.024   3.179  -0.566  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.554   2.231  -0.576  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        3.830   1.550  -0.172  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.678  -1.433   1.252  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1        7.654  -0.532   0.242  0.00  0.00    -0.244 NA
ATOM     11  C   LIG    1        6.443  -0.016  -0.087  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        5.239  -0.345   0.538  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        5.310  -1.287   1.570  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.540  -1.837   1.937  0.00  0.00    +0.039 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.989  -2.429   1.900  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        8.967  -1.969   1.592  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.064   1.042  -0.616  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.371   1.836  -0.585  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.577   0.929  -0.580  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.877   0.279  -1.755  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.309   0.430  -2.581  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.937  -0.584  -1.940  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -5.118  -1.125  -3.024  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.813  -0.806  -0.765  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.514  -0.135   0.432  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -6.331  -0.328   1.554  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.435  -1.182   1.482  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.725  -1.845   0.291  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.915  -1.656  -0.828  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -7.232  -2.316  -1.950  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.354   0.757   0.501  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5