REMARK  Name = BDB045754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207  -1.075   3.762  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.673  -0.602   2.635  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1        0.185  -0.333   1.340  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.085   0.105   0.352  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.460   0.288   0.605  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.912   0.013   1.903  0.00  0.00    +0.050 A 
ATOM      7  N   LIG    1        4.263   0.173   2.224  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1        4.599  -0.023   3.158  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1        5.224   0.594   1.340  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1        4.791   0.897  -0.047  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.758   1.330  -0.968  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.390   1.623  -2.276  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.062   1.486  -2.662  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.098   1.054  -1.742  0.00  0.00    +0.009 A 
ATOM     15  O   LIG    1        6.393   0.712   1.693  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        3.437   0.748  -0.410  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        2.040  -0.424   2.901  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   3  18
ATOM     18  N   LIG    1       -1.200  -0.518   1.086  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.736  -0.837   1.884  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -1.883  -0.315  -0.106  0.00  0.00    +0.201 C 
ATOM     21  O   LIG    1       -1.399   0.067  -1.166  0.00  0.00    -0.278 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.388  -0.626   0.018  0.00  0.00    +0.021 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.271  -0.437  -1.255  0.00  0.00    +0.380 N 
ATOM     24  C   LIG    1       -5.708  -0.798  -0.903  0.00  0.00    -0.092 C 
ATOM     25  C   LIG    1       -3.795  -1.350  -2.381  0.00  0.00    -0.092 C 
ATOM     26  C   LIG    1       -4.229   1.013  -1.729  0.00  0.00    -0.092 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  18
TORSDOF 3