REMARK  Name = BDB037087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.053  -0.680   0.436  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.935   0.097   0.276  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.882   1.284   0.021  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.220  -0.793   0.428  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.270  -2.073   0.611  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.557  -3.170   0.763  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.935  -2.941   0.734  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.454  -1.636   0.561  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -3.945  -1.429   0.512  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -4.313   0.034   0.729  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -3.420   0.899  -0.153  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -3.711   0.872  -1.680  0.00  0.00    +0.130 C 
ATOM     13  N   LIG    1       -3.605   2.347  -1.708  0.00  0.00    -0.308 NA
ATOM     14  H   LIG    1       -2.655   2.662  -1.926  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -3.878   2.378  -0.255  0.00  0.00    +0.130 C 
ATOM     16  O   LIG    1       -2.026   0.731   0.228  0.00  0.00    -0.482 OA
ATOM     17  C   LIG    1       -1.578  -0.550   0.392  0.00  0.00    +0.137 A 
ATOM     18  C   LIG    1        1.728  -1.999   0.591  0.00  0.00    +0.255 C 
ATOM     19  O   LIG    1        2.464  -2.961   0.700  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        6.388   2.241  -1.246  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        5.496   1.528  -0.797  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        4.716   0.763  -1.628  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        4.884   0.874  -2.619  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.655  -0.046  -1.286  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        3.003  -0.619  -2.157  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        3.418  -0.229   0.217  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1        3.788   1.047   0.969  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        5.243   1.390   0.687  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
TORSDOF 1