REMARK  Name = BDB003151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.522  -0.494  -1.961  0.00  0.00    +0.121 A 
ATOM      2  N   LIG    1        0.538  -1.632  -1.206  0.00  0.00    -0.272 N 
ATOM      3  H   LIG    1        1.241  -2.363  -1.200  0.00  0.00    +0.189 HD
ATOM      4  N   LIG    1       -0.501  -1.756  -0.372  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -1.291  -0.701  -0.649  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1       -0.679   0.109  -1.645  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.564  -0.491   0.055  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.647   0.214  -0.502  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -4.844   0.432   0.219  0.00  0.00    -0.005 A 
ATOM     10  C   LIG    1       -5.969   1.235  -0.384  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -4.981  -0.143   1.502  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -6.236   0.009   2.318  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.909  -0.859   2.052  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.719  -1.025   1.341  0.00  0.00    +0.014 A 
BRANCH   8  15
ATOM     15  O   LIG    1       -3.539   0.684  -1.789  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -4.419   0.664  -2.198  0.00  0.00    +0.292 HD
ENDBRANCH   8  15
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        2.807  -0.534  -2.783  0.00  0.00    -0.258 N 
ATOM     18  H   LIG    1        3.349  -0.513  -3.638  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        1.513  -0.103  -2.930  0.00  0.00    +0.268 C 
ATOM     20  O   LIG    1        1.221   0.511  -3.955  0.00  0.00    -0.268 OA
BRANCH  17  23
ATOM     21  C   LIG    1        4.671  -0.018   0.407  0.00  0.00    +0.160 A 
ATOM     22  S   LIG    1        3.090   0.254  -0.195  0.00  0.00    -0.024 S 
ATOM     23  C   LIG    1        3.606  -0.437  -1.666  0.00  0.00    +0.189 A 
ATOM     24  N   LIG    1        4.870  -0.794  -1.680  0.00  0.00    -0.125 NA
ATOM     25  N   LIG    1        5.486  -0.573  -0.464  0.00  0.00    -0.133 NA
BRANCH  21  26
ATOM     26  S   LIG    1        5.144   0.398   2.037  0.00  0.00    -0.097 S 
BRANCH  26  28
ATOM     27  C   LIG    1        7.661   1.268   1.291  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1        6.939   0.125   1.985  0.00  0.00    +0.073 C 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 6