REMARK  Name = BDB009612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.126  -1.560  -0.431  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.558  -0.234   0.073  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.321   0.934  -0.464  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.811   0.592  -0.636  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        2.249  -0.797  -0.151  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.387  -0.870   1.381  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.230  -1.856  -0.594  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.619  -2.953  -0.996  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.027   0.091  -0.240  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.904   0.447   0.800  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.235   0.769   0.527  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.702   0.737  -0.785  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.343   1.132  -1.117  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.849   0.389  -1.829  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.517   0.070  -1.559  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        0.127   2.223   0.335  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.499   3.326  -0.271  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.706   4.506   0.445  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.482   5.841  -0.315  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -0.293   4.609   1.770  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        0.330   3.525   2.383  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.537   2.340   1.672  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  24
ATOM     23  C   LIG    1       -1.201  -3.467  -1.675  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -1.074  -2.705  -0.352  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -0.751  -3.647   0.813  0.00  0.00    +0.028 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        3.616  -1.169  -0.789  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.716  -0.182  -0.515  0.00  0.00    +0.306 C 
ATOM     28  O   LIG    1        4.939   0.840  -1.141  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.465  -0.511   0.552  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        6.140   0.199   0.601  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6