REMARK  Name = BDB011620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081  -0.457  -0.949  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.006   0.163  -0.374  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.787   0.988   0.187  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.029  -1.335  -1.802  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.340  -0.054  -0.577  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.327   0.954  -0.095  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -3.021   1.922   0.586  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.596   0.545  -0.514  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.457  -0.757  -1.089  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.273  -0.996  -2.283  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.078  -1.040  -1.111  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.611  -2.372  -1.603  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.760   0.884   0.304  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.012  -0.119   1.446  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.448  -0.079   1.977  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.080   1.300   1.828  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -8.131   1.755   0.367  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -7.034   1.136  -0.505  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  C   LIG    1        3.537   0.537  -0.135  0.00  0.00    +0.167 A 
ATOM     20  C   LIG    1        2.691  -0.343  -0.807  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.057  -1.489  -1.680  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1        1.367   0.083  -0.476  0.00  0.00    +0.171 A 
ATOM     23  N   LIG    1        1.405   1.119   0.373  0.00  0.00    -0.073 NA
ATOM     24  O   LIG    1        2.733   1.379   0.597  0.00  0.00    -0.354 OA
BRANCH  19  28
ATOM     25  C   LIG    1        7.890   0.478   0.029  0.00  0.00    -0.007 C 
ATOM     26  C   LIG    1        7.156   1.361   1.047  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        5.692   0.951   1.222  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        4.970   0.642  -0.079  0.00  0.00    -0.006 C 
ATOM     29  C   LIG    1        5.666   0.511  -1.226  0.00  0.00    -0.019 C 
ATOM     30  C   LIG    1        7.165   0.583  -1.325  0.00  0.00    +0.031 C 
BRANCH  25  32
ATOM     31  C   LIG    1        8.827  -1.176   1.750  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        8.027  -0.996   0.466  0.00  0.00    +0.000 C 
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH   1  22
TORSDOF 5