REMARK  Name = BDB009079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.156   0.289   1.803  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.535  -0.577   0.892  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.397  -1.538   1.318  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.674  -1.645   2.686  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.061  -0.786   3.598  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.846   0.180   3.158  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.895   2.292   3.179  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.852   2.135   1.961  0.00  0.00    +0.223 C 
ATOM      9  N   LIG    1        2.062   1.228   1.276  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        2.217   1.192   0.268  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.672   3.024   1.044  0.00  0.00    +0.151 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.490   2.234   0.058  0.00  0.00    +0.050 A 
ATOM     13  N   LIG    1        3.825   1.739  -1.020  0.00  0.00    -0.259 NA
ATOM     14  C   LIG    1        4.539   1.006  -1.904  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.887   0.727  -1.761  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.547   1.228  -0.645  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        5.842   1.990   0.282  0.00  0.00    +0.024 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.050  -2.485   0.337  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.599  -1.801  -0.912  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.939  -1.135  -0.863  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.739  -1.102   0.409  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.925  -0.133   0.360  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.661  -0.227  -0.971  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.722   0.086  -2.137  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.380  -0.580  -2.005  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -2.536  -0.614  -3.225  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -2.899  -0.103  -4.279  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -1.329  -1.248  -3.100  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -0.740  -1.287  -3.924  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -0.852  -1.845  -1.976  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5