REMARK  Name = BDB057309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.428  -1.381   0.497  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.329  -1.934  -0.127  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.316  -1.472  -1.365  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        1.077  -2.709  -1.867  0.00  0.00    +0.030 C 
ATOM      5  C   LIG    1        1.374  -3.493  -0.594  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.123  -3.265   0.236  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -2.062  -2.013   1.349  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.256  -0.299  -1.158  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1        2.018  -0.251  -0.033  0.00  0.00    -0.251 NA
ATOM     10  C   LIG    1        2.855   0.811   0.095  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.925   1.792  -0.887  0.00  0.00    +0.134 A 
ATOM     12  N   LIG    1        2.174   1.760  -2.013  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        1.347   0.696  -2.127  0.00  0.00    +0.136 A 
BRANCH  10  14
ATOM     14  C   LIG    1        3.706   0.892   1.336  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.181   0.684   1.079  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1        5.655  -0.566   0.651  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        7.014  -0.762   0.407  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.914   0.286   0.591  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.456   1.530   1.019  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.096   1.730   1.263  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.834   0.067   0.129  0.00  0.00    +0.162 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.934  -0.203  -1.142  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -3.285   0.113   0.035  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -3.830  -0.064   0.875  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -3.343  -0.340  -2.212  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -5.451  -0.450  -0.966  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -6.197  -0.375  -2.296  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -6.082   1.821  -0.247  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -6.029   0.405   0.102  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -6.980   0.084   0.290  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -1.261   1.081   1.147  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -1.907   1.011   2.534  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -1.372   2.509   0.602  0.00  0.00    +0.009 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 8