REMARK  Name = BDB046629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.139   0.512   0.049  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.200  -0.974  -0.365  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.721  -1.806   0.431  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.647  -2.789   0.167  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        2.048  -1.355   0.422  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.364   0.004   0.336  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.676   0.447   0.448  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.714  -0.468   0.642  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.416  -1.824   0.755  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.939   1.892   0.404  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.080   2.335   0.467  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        2.833   2.703   0.313  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        2.996   3.704   0.274  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.539   2.290   0.203  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        3.089  -2.259   0.667  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.300   1.008   0.174  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -1.944   2.996   0.611  0.00  0.00    +0.151 C 
ATOM     18  N   LIG    1       -1.643   2.443  -0.681  0.00  0.00    -0.320 N 
ATOM     19  C   LIG    1       -0.848   1.363  -0.967  0.00  0.00    +0.144 A 
ATOM     20  N   LIG    1       -0.830   1.196  -2.277  0.00  0.00    -0.134 NA
ATOM     21  N   LIG    1       -1.626   2.159  -2.846  0.00  0.00    -0.138 NA
ATOM     22  C   LIG    1       -2.101   2.904  -1.876  0.00  0.00    +0.224 A 
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -1.609  -1.538  -0.191  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1       -2.451  -1.676  -1.306  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.751  -2.165  -1.161  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.227  -2.522   0.099  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.407  -2.386   1.216  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.108  -1.895   1.074  0.00  0.00    +0.005 A 
ENDBRANCH   2  23
TORSDOF 2