REMARK  Name = BDB008648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.286  -0.160  -0.488  0.00  0.00    +0.226 A 
ATOM      2  C   LIG    1        1.345   0.582  -1.666  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        0.678   1.807  -1.615  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.694   2.608  -2.751  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.353   2.219  -3.922  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.018   1.000  -3.970  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.031   2.230  -0.522  0.00  0.00    -0.230 NA
ATOM      8  C   LIG    1        0.001   1.413   0.551  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.016   0.179  -2.846  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1        0.637   0.229   0.624  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.799   1.884   1.760  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -0.435   1.173   3.071  0.00  0.00    +0.036 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.277   1.942   1.567  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1       -3.120   0.833   1.422  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1       -4.306   0.889   1.772  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.562  -0.455   0.788  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -2.223  -0.190  -0.582  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -2.365  -1.324  -1.445  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -2.116  -2.653  -0.722  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.081  -2.894   0.367  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.620  -3.428   1.102  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.580  -1.611   0.913  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.896   3.196   1.963  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -3.881   3.888   1.053  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.536   4.499   1.291  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  O   LIG    1        1.904  -1.397  -0.491  0.00  0.00    -0.476 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.055  -1.977   0.801  0.00  0.00    +0.233 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.889  -3.255   0.693  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.340  -2.987   0.299  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.746  -2.308  -1.467  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        4.416  -2.623  -1.077  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9