REMARK  Name = BDB049844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.031  -0.128   0.621  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -2.514  -1.275   0.036  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -2.000  -2.138  -0.055  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -3.820  -1.068  -0.328  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -4.078   0.251   0.040  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -5.357   0.775  -0.216  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -6.333  -0.043  -0.812  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -6.036  -1.363  -1.159  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.767  -1.904  -0.927  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.971   0.798   0.649  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.673   2.173   0.113  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.021   3.115  -0.312  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -6.775   2.360   0.905  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -6.898   3.301   1.257  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -7.142   1.602   1.464  0.00  0.00    +0.145 HD
ENDBRANCH   6  11
BRANCH   1  18
ATOM     16  N   LIG    1        0.289  -0.657   0.465  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        0.082  -0.874  -0.501  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.693   0.037   1.164  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1       -0.424   0.717   2.151  0.00  0.00    -0.267 OA
BRANCH  16  23
ATOM     20  N   LIG    1        4.481  -0.209  -0.080  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        4.008  -1.444   0.565  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        2.519  -1.666   0.306  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        1.700  -0.472   0.791  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        2.244   0.821   0.181  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        3.745   0.959   0.432  0.00  0.00    +0.086 C 
BRANCH  20  27
ATOM     26  C   LIG    1        6.558   1.018  -0.749  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        5.935  -0.070   0.119  0.00  0.00    +0.081 C 
ENDBRANCH  20  27
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 4