REMARK  Name = BDB044006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.155   0.563  -2.060  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.195   0.759  -1.780  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.792   0.712  -0.440  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1       -2.199   0.085  -0.464  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -3.154   0.802  -1.339  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -2.486   1.395  -2.518  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -1.139   0.756  -2.897  0.00  0.00    +0.123 C 
ATOM      8  O   LIG    1        1.524   0.270  -3.197  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  24
ATOM      9  C   LIG    1        3.444  -1.336  -1.521  0.00  0.00    +0.149 C 
ATOM     10  N   LIG    1        3.223  -0.107  -0.785  0.00  0.00    -0.338 N 
ATOM     11  C   LIG    1        4.003   0.388   0.243  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1        3.308   1.452   0.777  0.00  0.00    +0.068 A 
ATOM     13  N   LIG    1        3.764   2.126   1.883  0.00  0.00    -0.320 N 
ATOM     14  H   LIG    1        3.236   2.897   2.268  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        4.922   1.759   2.537  0.00  0.00    +0.257 A 
ATOM     16  C   LIG    1        5.731   0.637   1.959  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        6.945   0.300   2.574  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        7.747  -0.697   2.026  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.345  -1.344   0.860  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        6.131  -1.012   0.243  0.00  0.00    +0.011 A 
ATOM     21  O   LIG    1        5.284   2.346   3.554  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        2.159   1.687   0.012  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        5.294  -0.038   0.795  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.111   0.712  -0.974  0.00  0.00    +0.107 A 
ENDBRANCH   1  24
BRANCH   5  25
ATOM     25  C   LIG    1       -4.281  -0.057  -1.734  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.142  -0.489  -0.563  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -5.299  -1.850  -0.257  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -6.096  -2.247   0.820  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -6.743  -1.277   1.597  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -6.598   0.084   1.302  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1       -5.799   0.471   0.224  0.00  0.00    +0.007 A 
BRANCH  29  32
ATOM     32  N   LIG    1       -7.580  -1.691   2.729  0.00  0.00    +0.056 N 
ATOM     33  O   LIG    1       -8.147  -0.804   3.384  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1       -7.672  -2.905   2.965  0.00  0.00    -0.126 OA
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 4