REMARK  Name = BDB032890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.095  -1.810   0.594  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.299  -2.051   0.584  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.747  -3.374   0.681  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.159  -4.432   0.806  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.527  -4.187   0.847  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.998  -2.879   0.746  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.794  -0.308  -0.269  0.00  0.00    -0.261 N 
ATOM      8  H   LIG    1        3.198  -1.108  -0.732  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        1.623  -0.417   0.449  0.00  0.00    +0.251 C 
ATOM     10  O   LIG    1        0.963   0.506   0.916  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.992   2.481  -1.327  0.00  0.00    +0.166 A 
ATOM     12  S   LIG    1        4.793   0.795  -1.482  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        3.405   0.896  -0.490  0.00  0.00    +0.167 A 
ATOM     14  N   LIG    1        3.083   2.085  -0.049  0.00  0.00    -0.231 NA
ATOM     15  C   LIG    1        3.997   3.007  -0.532  0.00  0.00    +0.152 A 
BRANCH  11  17
ATOM     16  O   LIG    1        6.093   4.434  -1.753  0.00  0.00    -0.143 OA
ATOM     17  N   LIG    1        6.088   3.217  -1.970  0.00  0.00    -0.022 NA
ENDBRANCH  11  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1       -1.192  -0.953   0.499  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -0.737  -0.040   0.531  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -2.567  -0.972   0.380  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1       -3.265  -1.966   0.208  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.232   0.366   0.425  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -2.696   1.450   1.135  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.360   2.679   1.144  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.564   2.830   0.456  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.112   1.753  -0.237  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.451   0.523  -0.250  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 5