REMARK  Name = BDB063599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.102  -1.628  -3.083  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.330  -2.609   1.308  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.391  -1.933  -0.031  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -4.480  -1.142  -0.431  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -4.534  -0.611  -1.730  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -5.725   0.143  -2.246  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -3.422  -0.760  -2.575  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -2.299  -1.490  -2.171  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -2.297  -2.075  -0.899  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.543  -0.963   0.418  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.459   0.188   1.279  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.724   1.032   1.023  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.581  -0.327   2.727  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.204   1.101   1.217  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -3.192   1.002   1.900  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.278   2.079   0.288  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -3.389   2.490   0.319  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -0.046  -0.713  -2.715  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        1.001  -1.031  -1.891  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        1.174  -2.141  -1.407  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        1.792   0.118  -1.730  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        1.226   1.226  -2.466  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        0.014   0.590  -3.103  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1       -0.768   1.174  -3.842  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        2.977   0.247  -0.956  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        3.628   1.482  -0.850  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        4.794   1.629  -0.084  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        5.368   0.546   0.601  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        4.714  -0.686   0.487  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        3.543  -0.831  -0.274  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.647   0.739   1.433  0.00  0.00    -0.013 C 
ATOM     32  C   LIG    1        7.170  -0.561   2.084  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        7.778   1.285   0.534  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        6.373   1.744   2.572  0.00  0.00    +0.015 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8