REMARK  Name = BDB053199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.557  -1.185   0.851  0.00  0.00    +0.187 A 
ATOM      2  N   LIG    1       -0.425  -1.989   0.726  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.879  -3.300   0.582  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.266  -3.197   0.605  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.059  -4.347   0.469  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.436  -5.585   0.289  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.047  -5.673   0.229  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.242  -4.535   0.362  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -2.666  -1.902   0.751  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        0.935  -1.569   0.684  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        1.294  -0.405  -0.009  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        2.630   0.010  -0.077  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        3.608  -0.752   0.556  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.257  -1.911   1.254  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.926  -2.323   1.319  0.00  0.00    +0.026 A 
BRANCH  12  16
ATOM     16  O   LIG    1        2.814   1.149  -0.805  0.00  0.00    -0.475 OA
BRANCH  16  17
ATOM     17  C   LIG    1        4.058   1.850  -0.836  0.00  0.00    +0.200 C 
ATOM     18  C   LIG    1        5.030   1.159  -1.806  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        3.718   3.227  -1.442  0.00  0.00    +0.067 C 
BRANCH  17  20
ATOM     20  C   LIG    1        4.728   2.139   0.522  0.00  0.00    +0.348 C 
ATOM     21  O   LIG    1        5.890   1.906   0.824  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1        3.897   2.699   1.426  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        4.427   2.778   2.245  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   2  10
BRANCH   1  24
ATOM     24  C   LIG    1       -1.587   0.227   1.205  0.00  0.00    +0.229 C 
ATOM     25  O   LIG    1       -0.721   0.761   1.898  0.00  0.00    -0.283 OA
BRANCH  24  30
ATOM     26  C   LIG    1       -5.906   3.716  -0.530  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -4.780   2.819  -0.108  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -3.984   3.151   0.993  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -2.957   2.298   1.406  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -2.719   1.089   0.737  0.00  0.00    +0.025 A 
ATOM     31  C   LIG    1       -3.519   0.757  -0.364  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -4.547   1.612  -0.775  0.00  0.00    +0.004 A 
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 7