REMARK  Name = BDB003639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.626  -0.018  -0.996  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        0.554  -0.521  -0.577  0.00  0.00    +0.059 C 
ATOM      3  C   LIG    1        0.912  -1.948  -0.501  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        1.978  -2.328   0.318  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.346  -3.678   0.445  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.670  -4.662  -0.272  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.635  -4.296  -1.123  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.771  -1.308   1.042  0.00  0.00    +0.254 C 
ATOM      9  O   LIG    1        3.574  -1.679   1.896  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        2.573   0.027   0.696  0.00  0.00    -0.230 N 
ATOM     11  C   LIG    1        0.266  -2.953  -1.241  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.537   0.509  -0.096  0.00  0.00    +0.255 C 
ATOM     13  O   LIG    1        1.391   1.702  -0.363  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.793  -0.657  -1.410  0.00  0.00    -0.346 N 
ATOM     15  H   LIG    1       -2.136  -0.178  -2.248  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.955  -0.814  -0.501  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -2.597  -1.686   0.701  0.00  0.00    +0.028 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -3.519   0.566  -0.103  0.00  0.00    +0.022 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.875   0.478   0.610  0.00  0.00    +0.005 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.689   2.699   1.853  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -5.541   1.832   0.926  0.00  0.00    -0.017 C 
ATOM     22  C   LIG    1       -5.917   2.608  -0.336  0.00  0.00    +0.007 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH  10  23
ATOM     23  C   LIG    1        3.502   1.003   1.253  0.00  0.00    +0.152 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.713   1.197   0.365  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.700   2.153  -0.661  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.810   2.317  -1.491  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.942   1.524  -1.309  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.963   0.564  -0.299  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.854   0.399   0.533  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 7