REMARK  Name = BDB045778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.700   1.155  -0.391  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.818   0.337   0.295  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -2.197  -0.219   1.052  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -2.406   2.028  -1.200  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.959  -0.524   0.588  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -6.784   0.596   0.745  0.00  0.00    +0.160 A 
ATOM      7  C   LIG    1       -6.311   1.884   0.486  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1       -5.000   2.080   0.041  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -4.139   0.966  -0.034  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -4.631  -0.332   0.202  0.00  0.00    +0.064 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -4.553   3.412  -0.115  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -3.718   3.428  -0.717  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -4.306   3.828   0.780  0.00  0.00    +0.142 HD
ENDBRANCH   8  11
BRANCH   5  15
ATOM     14  C   LIG    1       -5.795  -2.905   0.504  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.530  -1.740   0.853  0.00  0.00    -0.491 OA
ENDBRANCH   5  15
BRANCH   6  16
ATOM     16  O   LIG    1       -8.080   0.419   1.153  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -8.537   1.275   1.139  0.00  0.00    +0.292 HD
ENDBRANCH   6  16
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1       -0.419   0.260   0.131  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        0.290   0.942  -0.855  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        1.681   0.802  -0.954  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.385  -0.026  -0.073  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.675  -0.708   0.912  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.285  -0.568   1.011  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1        3.783  -0.105  -0.239  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        4.165   0.442  -0.999  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        4.666  -0.911   0.458  0.00  0.00    +0.248 C 
ATOM     27  O   LIG    1        4.383  -1.756   1.299  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        6.099  -0.734   0.088  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        6.933  -1.859   0.085  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        8.280  -1.731  -0.258  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.799  -0.479  -0.587  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.978   0.648  -0.566  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.629   0.526  -0.225  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  24
ENDBRANCH   2  18
TORSDOF 7