REMARK  Name = BDB028530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.717  -2.480  -1.274  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.209  -1.517  -1.859  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.562  -1.242  -1.850  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.417  -2.032  -0.965  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -4.685  -1.258  -0.507  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -5.505  -1.020  -1.796  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -4.665  -0.525  -2.982  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -3.213  -0.197  -2.642  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.444  -0.632  -2.573  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.764   0.324  -2.522  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -4.439   0.025   0.216  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1       -3.421  -0.052   1.282  0.00  0.00    +0.095 C 
ATOM     13  C   LIG    1       -3.917  -0.593   2.626  0.00  0.00    +0.084 C 
ATOM     14  S   LIG    1       -5.137   0.510   3.420  0.00  0.00    -0.158 S 
ATOM     15  C   LIG    1       -5.618   1.495   1.960  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -5.706   0.629   0.696  0.00  0.00    +0.095 C 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.005  -0.757  -2.570  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.616  -0.201  -1.276  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.373   1.217  -1.220  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.057   1.553  -0.603  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.139  -0.446  -1.232  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.772   0.277  -0.103  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.235   0.345  -0.318  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.996   0.931   0.851  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.438   0.947   2.141  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.175   1.466   3.214  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.469   1.944   3.013  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.034   1.911   1.740  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.026   0.466   2.353  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.303   1.405   0.665  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.510  -0.389   1.187  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6