REMARK  Name = BDB009288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355  -0.177  -0.225  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.618   0.829  -0.204  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.568   0.916  -1.232  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.511  -0.010  -2.285  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.553  -1.026  -2.292  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.374  -1.120  -1.255  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.842  -0.267   2.043  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.308  -0.260   0.906  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.671  -0.313   0.636  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.592  -0.431   1.762  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        4.956  -1.043   1.374  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        5.548  -0.569   0.103  0.00  0.00    -0.297 NA
ATOM     13  C   LIG    1        4.747   0.500  -0.512  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        3.268   0.088  -0.643  0.00  0.00    +0.123 C 
BRANCH  12  15
ATOM     15  C   LIG    1        6.957  -0.181   0.236  0.00  0.00    +0.112 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.890  -1.360   0.556  0.00  0.00    +0.171 C 
BRANCH  16  17
ATOM     17  O   LIG    1        9.248  -0.926   0.568  0.00  0.00    -0.394 OA
ATOM     18  H   LIG    1        9.485  -0.698  -0.348  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.618   2.001  -1.211  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.043   1.470  -1.339  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.686   0.776  -0.179  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.969   0.630   1.134  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.891   0.219   2.286  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.841  -0.892   1.857  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.704  -0.449   0.675  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.929   0.301  -0.373  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.608   0.502  -1.678  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.747   0.096  -1.885  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.888   1.170  -2.631  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -6.335   1.318  -3.529  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -4.624   1.649  -2.489  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6