REMARK  Name = BDB007299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.850   0.251   0.116  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        3.516   0.441  -0.217  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.935   1.716  -0.249  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        1.561   1.704  -0.586  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1        1.394   2.330  -1.377  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1        1.331   0.339  -0.926  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1        3.668   2.849   0.057  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.011   2.693   0.392  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.424  -0.461  -0.597  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1        2.471  -1.678  -0.589  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        5.591   1.413   0.419  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.041  -0.164  -0.918  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.994   0.704  -1.742  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -2.393   0.081  -1.786  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.739  -0.682  -0.576  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -2.088  -0.140   0.613  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -0.574  -0.358   0.514  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -4.191  -0.894  -0.528  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.986   0.107   0.340  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.811  -1.111   0.824  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -4.580  -1.989   0.491  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1        4.937  -2.213  -0.026  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.470  -3.070   0.021  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        3.942  -2.294  -0.229  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        5.591  -1.039   0.175  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        6.796  -1.055   0.409  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3