REMARK  Name = BDB045972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.147  -0.086  -2.106  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.101   0.098  -1.210  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.446  -0.804  -0.242  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.467  -0.079   0.427  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.341   1.266  -0.091  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.715  -1.979  -0.070  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.430   1.329  -1.109  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.779   2.415  -1.896  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.822   2.256  -2.803  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.493   1.026  -2.905  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.556  -0.695   1.402  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.581  -1.474   0.730  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.767  -0.592   0.349  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.262   0.161   1.512  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        1.217   1.040   2.048  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.021   0.254   2.478  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.464   0.947   1.182  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.642   0.051   0.991  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        5.196  -0.815   1.914  0.00  0.00    +0.199 A 
ATOM     20  O   LIG    1        6.271  -1.458   1.394  0.00  0.00    -0.471 OA
ATOM     21  C   LIG    1        6.420  -1.010   0.122  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        5.451  -0.082  -0.176  0.00  0.00    +0.046 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1       -4.826  -2.381  -1.485  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.080  -2.468  -0.797  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.327  -3.226  -1.721  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.955  -1.320  -2.324  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -5.753  -1.386  -3.255  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4