REMARK  Name = BDB063937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.550  -2.946   2.987  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.282  -1.974   2.311  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.161  -1.201   1.390  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.438  -1.543   1.179  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.441  -0.165   0.836  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.251  -0.282   1.346  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.101  -1.315   2.204  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.717  -1.562   2.727  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.392  -0.868   0.284  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.351  -1.654  -0.375  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.293  -1.023  -1.208  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.309   0.362  -1.389  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.295   0.840  -2.239  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.007  -0.167  -2.690  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.354   1.141  -0.710  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.561  -1.725  -2.141  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.412   0.520   0.121  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.764   0.568   1.045  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -0.496   1.203   0.299  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.182   0.253   1.118  0.00  0.00    +0.079 C 
ATOM     21  C   LIG    1       -3.040   1.539   1.038  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -2.938   2.197  -0.353  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -3.385   1.209  -1.442  0.00  0.00    -0.010 C 
ATOM     24  C   LIG    1       -4.848   0.809  -1.186  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.977   0.148   0.197  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1       -4.085  -1.107   0.236  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -2.500  -0.047  -1.387  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -4.513   1.144   1.278  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -2.612  -0.720  -0.004  0.00  0.00    +0.010 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3