REMARK  Name = BDB008553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.671  -1.984   0.610  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.336  -2.605  -0.755  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        2.537   0.077   1.235  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        2.534   0.161   2.636  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1        3.624   0.896   3.366  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        1.491  -0.432   3.357  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        0.468  -1.112   2.694  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.465  -1.226   1.295  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        1.511  -0.617   0.580  0.00  0.00    +0.051 A 
BRANCH   3  10
ATOM     10  O   LIG    1        3.583   0.702   0.606  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.557   0.754  -0.822  0.00  0.00    +0.231 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.756   1.583  -1.273  0.00  0.00    +0.069 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.810   1.740  -2.787  0.00  0.00    +0.163 C 
BRANCH  13  15
ATOM     14  C   LIG    1        6.114  -0.136  -3.448  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1        4.837   0.487  -3.468  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  N   LIG    1       -1.926  -1.199   0.567  0.00  0.00    -0.289 N 
ATOM     17  C   LIG    1       -1.982  -0.045  -0.238  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -0.996   0.400  -0.832  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.346   0.680  -0.333  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -4.343  -0.147  -0.955  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -5.600   0.535  -1.036  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -5.477   1.846  -1.825  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -4.466   2.748  -1.248  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -4.767   3.029  -0.314  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.191   2.000  -1.126  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -3.127  -1.853   1.048  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -3.211  -2.598   2.358  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -3.910  -1.287   2.207  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 9