REMARK  Name = BDB063817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.016  -3.816  -1.257  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.014  -2.628  -1.004  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.130  -1.750  -0.637  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.375  -2.225  -0.512  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.674  -0.463  -0.450  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.606  -0.532  -0.668  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.059  -1.765  -0.989  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.996  -2.028  -1.228  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.575  -1.458  -0.141  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.777  -0.135  -0.564  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.966   0.523  -0.198  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.954  -0.104   0.562  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.070   0.668   0.845  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.923   1.857   0.307  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.749  -1.437   0.967  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.473   2.131  -0.560  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.568  -2.100   0.608  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.427   0.545  -0.587  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.936   1.356  -0.218  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.847   0.508  -0.282  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.476   1.852  -0.673  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.953   1.914  -0.293  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.163   1.617   1.189  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.535   0.286   1.591  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.058   0.221   1.210  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3