REMARK  Name = BDB063886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.012  -1.598   3.292  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.149  -1.055   2.215  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.353  -1.004   1.340  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.497  -1.611   1.678  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.076  -0.244   0.223  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.160   0.124   0.377  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.750  -0.325   1.508  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.678  -0.104   1.832  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.751  -1.612   0.907  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.964  -1.601   1.615  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.172  -1.636   0.895  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.200  -1.696  -0.500  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.463  -1.726  -1.069  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.370  -1.688  -0.121  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.978  -1.724  -1.197  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.791  -1.618   1.488  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.770  -1.687  -0.488  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.817   0.909  -0.516  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.265   1.078  -1.353  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.273   0.938  -0.695  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -2.860   2.110   0.123  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -4.369   2.338  -0.013  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.194   1.070  -0.235  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.017   0.372  -1.593  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.068   1.046  -2.581  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -2.587   1.005  -2.195  0.00  0.00    +0.025 C 
BRANCH  21  27
ATOM     27  O   LIG    1       -2.585   1.872   1.516  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -1.644   2.107   1.634  0.00  0.00    +0.210 HD
ENDBRANCH  21  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4