REMARK  Name = BDB032540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.799   1.098   0.741  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        2.068   1.825   1.673  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.481   2.469   2.617  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.654   1.690   1.310  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.465   2.166   1.968  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.710   1.885   1.401  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.798   1.149   0.207  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -3.064   0.897  -0.254  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1       -3.117  -0.065  -1.336  0.00  0.00    +0.147 C 
ATOM     10  C   LIG    1       -4.441   0.198  -2.093  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -5.573  -0.740  -1.661  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -5.552  -0.996  -0.226  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1       -5.586  -0.098   0.263  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -4.329  -1.694   0.184  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.131  -1.488  -0.749  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1       -1.931   0.169  -2.286  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.671   0.007  -1.625  0.00  0.00    -0.484 OA
ATOM     18  C   LIG    1       -0.644   0.706  -0.452  0.00  0.00    +0.168 A 
ATOM     19  C   LIG    1        0.583   0.969   0.121  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        1.952   0.631  -0.357  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        5.460  -2.797   0.824  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        5.216  -1.593   0.825  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        5.310  -0.858  -0.329  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        5.595  -1.372  -1.152  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.826   0.409  -0.555  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        4.736   0.839  -1.704  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        4.261   1.161   0.660  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        4.949   0.633   1.926  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        4.736  -0.867   2.057  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1