REMARK  Name = BDB033723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369   0.037   0.437  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        1.632   0.273   0.068  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        2.265   1.313   0.650  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1        1.675   2.134   1.582  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        0.376   1.817   1.888  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1       -0.291   0.783   1.332  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.234  -1.043  -0.171  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1        0.333  -1.286  -0.977  0.00  0.00    +0.149 HD
BRANCH   7  12
ATOM      9  N   LIG    1       -4.422  -0.330  -0.160  0.00  0.00    -0.181 NA
ATOM     10  C   LIG    1       -3.692   0.062  -1.401  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1       -2.179   0.116  -1.206  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1       -1.680  -1.076  -0.387  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1       -2.460  -1.296   0.916  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1       -3.594  -0.290   1.069  0.00  0.00    +0.111 C 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.823  -0.870   0.977  0.00  0.00    +0.215 C 
ATOM     16  S   LIG    1       -5.987   0.330  -0.042  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1       -5.886   1.577   0.685  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1       -6.586   0.272  -1.359  0.00  0.00    -0.158 OA
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        2.337   3.232   2.197  0.00  0.00    +0.106 C 
ATOM     20  N   LIG    1        2.840   4.137   2.722  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   3  21
ATOM     21  O   LIG    1        3.573   1.585   0.299  0.00  0.00    -0.472 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.157   0.678  -0.631  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1        4.664  -0.601   0.032  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.748  -1.118  -0.907  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.217   0.089  -1.720  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.454   1.282  -1.164  0.00  0.00    +0.044 C 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6