REMARK  Name = BDB030282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.041   0.131   0.206  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.968   0.539   1.173  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -4.330   0.318   0.964  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -5.250   0.728   1.951  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -4.921   1.181   2.794  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -6.620   0.568   1.866  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -7.113  -0.077   0.654  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -6.232  -0.489  -0.330  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -7.032  -1.216  -1.645  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -8.566  -0.988  -0.919  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -8.468  -0.368   0.308  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -7.361   0.952   2.767  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.785  -0.307  -0.217  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.854  -0.695  -1.186  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.487  -0.474  -0.978  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        0.300  -0.457  -0.160  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -0.055  -1.345  -0.489  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.597   0.389   0.464  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -0.264   1.291   1.223  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1        1.715  -0.387   0.165  0.00  0.00    +0.115 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.569  -0.994  -0.929  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.013  -0.946  -0.517  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1        4.572  -1.852   0.083  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.565   0.239  -0.883  0.00  0.00    -0.459 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.907  -0.428  -1.256  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.947   0.546  -0.565  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1        6.170   0.593   0.951  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.176   1.953  -1.139  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 6