REMARK  Name = BDB047126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.354  -0.456  -0.520  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.767   0.842  -0.932  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.849   1.413  -0.235  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -3.300   2.674  -0.604  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.711   3.400  -1.639  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.639   2.858  -2.328  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -3.473   0.804   0.783  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1       -3.065  -0.408   1.181  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -3.725  -1.006   2.247  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -3.369  -2.269   2.726  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.328  -2.961   2.125  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.651  -2.380   1.054  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.169   1.593  -1.979  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.003  -1.096   0.569  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1       -0.227  -1.107  -1.124  0.00  0.00    -0.263 N 
ATOM     16  H   LIG    1       -0.150  -0.836  -2.112  0.00  0.00    +0.170 HD
BRANCH  15  19
ATOM     17  O   LIG    1        1.986  -0.145  -2.438  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        2.049  -0.359  -1.229  0.00  0.00    +0.278 C 
ATOM     19  N   LIG    1        0.958  -0.719  -0.458  0.00  0.00    -0.231 N 
ATOM     20  H   LIG    1        1.104  -1.044   0.497  0.00  0.00    +0.173 HD
BRANCH  18  21
ATOM     21  C   LIG    1        3.327  -0.253  -0.462  0.00  0.00    +0.127 A 
ATOM     22  N   LIG    1        3.267  -0.581   0.860  0.00  0.00    -0.250 NA
ATOM     23  C   LIG    1        4.422  -0.486   1.554  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        5.627  -0.087   0.995  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.659   0.236  -0.358  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.489   0.153  -1.107  0.00  0.00    +0.033 A 
ENDBRANCH  18  21
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 3