REMARK  Name = BDB009611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.673  -1.274   0.732  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        2.463  -0.655   0.000  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.503  -1.776  -0.415  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        1.941  -2.909  -0.628  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.175  -1.431  -0.676  0.00  0.00    -0.293 N 
ATOM      6  C   LIG    1       -0.479  -0.243  -0.071  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        0.490   0.892   0.358  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.751   0.289   0.979  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.572   0.331  -0.975  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -1.296   0.705  -2.302  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.297   1.247  -3.111  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.580   1.424  -2.600  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.813   2.092  -3.596  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.871   1.064  -1.287  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.872   0.520  -0.477  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.153   1.896   1.313  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.316   3.230   0.904  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.916   4.162   1.751  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.113   5.790   1.230  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.361   3.784   3.015  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.202   2.464   3.436  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.603   1.527   2.591  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -0.697  -2.525  -1.135  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.450  -3.159   0.001  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -0.768  -4.070   0.991  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -1.730  -4.642  -0.013  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   5  23
BRANCH   2  27
ATOM     27  C   LIG    1        2.936   0.007  -1.312  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.748   1.253  -1.110  0.00  0.00    +0.306 C 
ATOM     29  O   LIG    1        3.301   2.377  -0.954  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.071   1.026  -1.091  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        5.473   1.909  -0.953  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 7