REMARK  Name = BDB032536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.633   0.728  -0.234  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -2.698   1.247  -1.518  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.688   1.537  -2.161  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.316   1.395  -1.987  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.850   1.918  -3.177  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.534   1.939  -3.368  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.408   1.438  -2.378  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.846   1.473  -2.582  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1        3.624   0.908  -1.654  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        3.091   0.242  -0.399  0.00  0.00    +0.131 C 
ATOM     11  C   LIG    1        3.328  -1.284  -0.461  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        4.629  -1.673   0.230  0.00  0.00    +0.085 C 
ATOM     13  N   LIG    1        4.622  -1.333   1.653  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1        5.582  -1.251   1.989  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        3.859  -0.128   1.979  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        3.796   0.867   0.825  0.00  0.00    +0.067 C 
ATOM     17  O   LIG    1        1.669   0.421  -0.175  0.00  0.00    -0.481 OA
ATOM     18  C   LIG    1        0.899   0.908  -1.185  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1       -0.470   0.896  -1.000  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -1.268   0.384   0.150  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1       -5.861  -2.200   3.095  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -5.319  -1.451   2.288  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1       -4.907  -1.910   1.062  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1       -5.008  -2.907   0.926  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1       -3.989  -1.303   0.235  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1       -3.377  -1.965  -0.600  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1       -3.812   0.210   0.449  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -3.794   0.502   1.947  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.092   0.015   2.572  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1