REMARK  Name = BDB008954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.740  -0.194  -0.911  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.943  -0.894  -0.063  0.00  0.00    -0.247 NA
ATOM      3  C   LIG    1        0.147  -1.852  -0.590  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.135  -2.142  -1.953  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.961  -1.415  -2.806  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.778  -0.418  -2.282  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.861   1.026  -0.794  0.00  0.00    -0.308 N 
ATOM      8  H   LIG    1        4.191   0.396  -1.512  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.580   0.878  -0.283  0.00  0.00    +0.263 C 
ATOM     10  O   LIG    1        2.140   1.567   0.631  0.00  0.00    -0.269 OA
BRANCH   7  12
ATOM     11  C   LIG    1        6.211   1.655  -0.542  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        4.760   2.066  -0.314  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        4.460   3.393  -1.008  0.00  0.00    +0.027 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1       -0.748  -2.594   0.368  0.00  0.00    +0.112 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.212  -2.226   0.176  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -2.799  -1.082   0.944  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -1.954  -0.265   1.883  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -2.629   1.033   2.339  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.096   0.803   2.679  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.857   0.252   1.472  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -4.105  -0.831   0.749  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.885  -1.647  -0.215  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1       -6.074  -1.436  -0.431  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -4.197  -2.646  -0.848  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1       -4.716  -3.218  -1.505  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1       -2.885  -2.954  -0.667  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 4