REMARK  Name = BDB009109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.781  -1.094   0.065  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.799  -0.738   1.002  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.364  -1.511   1.172  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.511  -2.678   0.414  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.462  -3.039  -0.517  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.600  -2.249  -0.693  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.040  -1.138  -1.879  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.949  -0.353  -0.943  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        2.911  -0.254  -0.035  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.921   0.542   0.587  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.035   0.649  -0.760  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.651   1.180  -1.900  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.671   2.120  -1.757  0.00  0.00    +0.014 A 
ATOM     14  I   LIG    1        7.580   2.923  -3.446  0.00  0.00    -0.044 I 
ATOM     15  C   LIG    1        7.089   2.525  -0.488  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.488   1.981   0.648  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.464   1.041   0.516  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.397  -1.107   2.200  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.840  -1.234   1.720  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.432  -0.159   0.863  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -2.616   1.030   0.440  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -3.276   1.861  -0.666  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.765   2.045  -0.405  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.476   0.693  -0.318  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.718  -0.315   0.502  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.469  -1.524   0.922  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -6.637  -1.706   0.596  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -4.778  -2.420   1.692  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -5.274  -3.252   1.992  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -3.489  -2.294   2.103  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4