REMARK  Name = BDB003644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.153   0.192   0.176  0.00  0.00    +0.145 C 
ATOM      2  N   LIG    1        0.987   0.995   0.762  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -1.523   2.922   0.630  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -2.011   1.549   0.307  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.296   0.426   0.123  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -2.295  -0.643  -0.153  0.00  0.00    +0.281 A 
ATOM      7  O   LIG    1       -1.990  -1.807  -0.357  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1       -3.548  -0.029  -0.101  0.00  0.00    -0.219 N 
ATOM      9  N   LIG    1       -3.379   1.342   0.145  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1       -3.907   1.669   0.957  0.00  0.00    +0.187 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.831  -0.571  -0.330  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -5.016  -1.947  -0.518  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -6.292  -2.479  -0.735  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.402  -1.642  -0.772  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.239  -0.272  -0.594  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.963   0.259  -0.376  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  N   LIG    1        2.321   0.674   0.702  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        2.880   1.200   1.367  0.00  0.00    +0.178 HD
ATOM     19  C   LIG    1        2.953   0.204  -0.446  0.00  0.00    +0.263 C 
ATOM     20  O   LIG    1        2.399  -0.069  -1.507  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.436   0.074  -0.353  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        5.083  -0.186   0.861  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        6.482  -0.308   0.880  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        7.232  -0.182  -0.297  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        6.579   0.061  -1.504  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.188   0.185  -1.533  0.00  0.00    +0.013 A 
BRANCH  23  27
ATOM     27  N   LIG    1        7.167  -0.572   2.151  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        6.486  -0.530   3.186  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        8.381  -0.813   2.114  0.00  0.00    -0.126 OA
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   2  17
TORSDOF 5