REMARK  Name = BDB002064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.911  -1.059   0.920  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        0.323  -0.602   0.188  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        1.547  -0.611   1.126  0.00  0.00    +0.154 C 
ATOM      4  C   LIG    1        1.159  -0.175   2.527  0.00  0.00    +0.031 C 
ATOM      5  C   LIG    1        2.198   0.419   3.448  0.00  0.00    +0.061 C 
ATOM      6  N   LIG    1       -0.026  -0.363   3.028  0.00  0.00    -0.260 NA
ATOM      7  C   LIG    1       -1.003  -0.959   2.260  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.167  -1.474   3.072  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.068   0.722  -0.533  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1       -0.167   1.918   0.165  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -0.396   3.109  -0.527  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -0.398   3.114  -1.915  0.00  0.00    +0.117 A 
ATOM     13  C   LIG    1       -0.177   1.942  -2.629  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        0.052   0.750  -1.939  0.00  0.00    +0.008 A 
BRANCH  12  15
ATOM     15  O   LIG    1       -0.627   4.300  -2.547  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1       -0.610   4.148  -3.506  0.00  0.00    +0.292 HD
ENDBRANCH  12  15
ENDBRANCH   2   9
BRANCH   1  17
ATOM     17  C   LIG    1       -1.964  -1.652   0.067  0.00  0.00    +0.338 C 
ATOM     18  O   LIG    1       -1.730  -2.464  -0.816  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.168  -1.108   0.357  0.00  0.00    -0.457 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.231  -1.583  -0.471  0.00  0.00    +0.259 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.727  -0.046   0.898  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -5.536  -0.953  -0.070  0.00  0.00    +0.006 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  23
ATOM     23  C   LIG    1        2.716   0.101   0.485  0.00  0.00    +0.317 C 
ATOM     24  O   LIG    1        3.250   1.120   0.898  0.00  0.00    -0.250 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.110  -0.576  -0.632  0.00  0.00    -0.460 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.188   0.048  -1.337  0.00  0.00    +0.259 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.456  -0.782  -2.554  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        5.634  -1.351  -2.844  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 10