REMARK  Name = BDB030310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356   0.039   1.086  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.438  -0.544   1.757  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.721  -0.451   1.217  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.799  -1.051   1.904  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.635  -1.536   2.776  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.114  -1.030   1.478  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.366  -0.331   0.223  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.329   0.266  -0.470  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.861   1.019  -1.901  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.485   0.559  -1.613  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.618  -0.158  -0.444  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        6.000  -1.575   2.129  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.945   0.232   0.003  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.862   0.825  -0.654  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.573   0.732  -0.113  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -1.109  -0.313   2.900  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -0.995  -0.081   1.701  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -2.070   0.051   0.861  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -1.972   0.056  -0.148  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.426  -0.130   1.333  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.431   0.045   0.215  0.00  0.00    +0.058 A 
ATOM     22  N   LIG    1       -3.955   0.142  -1.059  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1       -4.864   0.282  -2.049  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -6.232   0.327  -1.839  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -6.701   0.222  -0.535  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.793   0.076   0.509  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3