REMARK  Name = BDB041977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.440   0.216  -0.949  0.00  0.00    +0.104 A 
ATOM      2  N   LIG    1       -2.882   1.088  -0.048  0.00  0.00    -0.317 N 
ATOM      3  H   LIG    1       -3.437   1.834   0.349  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.588   1.006   0.406  0.00  0.00    +0.271 A 
ATOM      5  O   LIG    1       -1.232   1.692   1.359  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1       -0.701  -0.032  -0.254  0.00  0.00    +0.109 A 
ATOM      7  C   LIG    1       -1.301  -0.893  -1.099  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -2.695  -0.770  -1.467  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        0.645  -0.080   0.069  0.00  0.00    -0.197 N 
ATOM     10  C   LIG    1        1.422   1.032   0.326  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        1.186   2.220   0.200  0.00  0.00    -0.269 OA
ATOM     12  C   LIG    1        2.764   0.550   0.639  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        2.770  -0.817   0.458  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        3.909  -1.576   0.648  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        5.071  -0.900   1.035  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.066   0.499   1.214  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.900   1.243   1.011  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        1.425  -1.215   0.054  0.00  0.00    +0.258 C 
ATOM     19  O   LIG    1        1.141  -2.370  -0.210  0.00  0.00    -0.269 OA
ENDBRANCH   6   9
BRANCH   1  23
ATOM     20  N   LIG    1       -5.662   1.023  -0.457  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -5.387   1.144   0.507  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -6.655   1.006  -0.653  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -4.877   0.342  -1.342  0.00  0.00    +0.258 C 
ATOM     24  O   LIG    1       -5.343  -0.148  -2.362  0.00  0.00    -0.269 OA
ENDBRANCH   1  23
TORSDOF 2