REMARK  Name = BDB003650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.713   2.777  -0.830  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.493   1.579  -0.965  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1        2.417   0.678  -1.472  0.00  0.00    -0.234 N 
ATOM      4  H   LIG    1        2.100  -0.211  -1.850  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1        3.608   1.201  -2.000  0.00  0.00    -0.230 N 
ATOM      6  H   LIG    1        3.508   1.998  -2.627  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1        4.738   0.429  -2.171  0.00  0.00    +0.260 C 
ATOM      8  O   LIG    1        5.551   0.685  -3.055  0.00  0.00    -0.269 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.974  -0.732  -1.271  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        5.625  -1.859  -1.793  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        5.900  -2.959  -0.975  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        5.535  -2.921   0.378  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        4.907  -1.788   0.915  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.632  -0.694   0.088  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  N   LIG    1        5.826  -4.072   1.242  0.00  0.00    +0.056 N 
ATOM     16  O   LIG    1        5.572  -3.963   2.450  0.00  0.00    -0.126 OA
ATOM     17  O   LIG    1        6.303  -5.084   0.711  0.00  0.00    -0.126 OA
ENDBRANCH  12  15
ENDBRANCH   7   9
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.182   0.924  -0.605  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.735   1.905   0.113  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.992   1.275   0.486  0.00  0.00    -0.343 N 
ATOM     21  C   LIG    1       -2.194   0.553   1.652  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -3.505   0.065   1.614  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.975  -0.715   2.691  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.128  -0.985   3.771  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.829  -0.490   3.791  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.086   0.514   0.397  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -5.464   0.296  -0.135  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -5.536   0.621  -1.637  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.822   1.942  -1.971  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -3.326   1.903  -1.608  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1       -1.339   0.285   2.735  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1       -3.135   1.262  -0.273  0.00  0.00    +0.023 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6