REMARK  Name = BDB025605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.761   0.568   0.625  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.383   0.243   1.035  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.392   0.478   0.060  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.069   1.628  -0.243  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -1.159   1.045   2.239  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.083   2.274   2.141  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.885   2.073   0.857  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.033   0.185  -2.430  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.482   0.534  -1.143  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -4.934   1.274  -0.624  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.240   0.073  -0.756  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -2.602  -0.731  -1.432  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -2.982   2.290   3.248  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -3.407   3.166   3.265  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.254  -0.772  -0.573  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.680  -0.542  -0.799  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.256  -0.955  -1.948  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.547  -0.660  -1.881  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        3.781  -0.058  -0.676  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.607   0.020   0.034  0.00  0.00    +0.140 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.172   0.440  -0.218  0.00  0.00    +0.060 A 
ATOM     22  S   LIG    1        5.526   1.193   1.274  0.00  0.00    -0.074 S 
ATOM     23  C   LIG    1        7.170   1.317   0.796  0.00  0.00    +0.156 A 
ATOM     24  N   LIG    1        7.470   0.837  -0.391  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1        6.319   0.334  -0.975  0.00  0.00    +0.128 A 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1       -0.036  -2.121   0.147  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        0.263  -3.322  -0.759  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        0.702  -2.293   1.480  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6