REMARK  Name = BDB007838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.011   0.753  -0.273  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.167  -0.283  -0.350  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.163  -0.055  -0.181  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -1.083  -1.229  -0.283  0.00  0.00    +0.172 C 
ATOM      5  N   LIG    1       -2.297  -1.062   0.504  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -2.950   0.189   0.481  0.00  0.00    +0.318 C 
ATOM      7  N   LIG    1       -2.133   1.309   0.181  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.162   0.301   0.686  0.00  0.00    -0.251 OA
ATOM      9  C   LIG    1       -0.719   1.195   0.024  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.183   2.259   0.127  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.555   2.040  -0.025  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.725   2.613   0.078  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.421   3.455  -1.006  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.003   4.721  -1.117  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.904   5.160  -0.151  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.230   4.331   0.919  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.650   3.064   1.029  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   5  18
ATOM     18  C   LIG    1       -2.971  -2.245   0.981  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -2.671  -3.522   0.477  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -3.309  -4.667   0.968  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.258  -4.561   1.979  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.565  -3.309   2.500  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.926  -2.166   2.007  0.00  0.00    +0.023 A 
ENDBRANCH   5  18
BRANCH   1  25
ATOM     24  C   LIG    1        4.011  -0.637  -0.702  0.00  0.00    +0.235 C 
ATOM     25  N   LIG    1        3.390   0.571  -0.428  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        3.971   1.390  -0.334  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        3.465  -1.723  -0.882  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1        5.551  -0.492  -0.798  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1        5.914   0.043  -2.181  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1        6.219  -2.196   0.803  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        6.223  -1.794  -0.600  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1        5.682  -2.491  -1.125  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 5