REMARK  Name = BDB065312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.433  -0.868   0.880  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.266  -1.959   1.725  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.857  -2.689   1.699  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.254  -2.282   2.649  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.423  -1.519   2.716  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.620  -0.431   1.848  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.605  -0.101   0.936  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -6.068   0.285  -0.801  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -4.790   0.563  -1.299  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -3.681   0.704  -0.447  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -2.296   1.065  -0.985  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -1.247   0.692  -0.017  0.00  0.00    -0.290 N 
ATOM     13  C   LIG    1       -1.476   1.301   1.296  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -2.738   0.704   1.927  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -0.603  -0.548  -0.116  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1       -0.776  -1.373  -1.006  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.004   0.674  -2.439  0.00  0.00    +0.033 C 
ATOM     18  C   LIG    1       -3.888   0.591   0.947  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1       -5.169   0.305   1.441  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -6.253   0.155   0.573  0.00  0.00    +0.046 A 
BRANCH   8  22
ATOM     21  C   LIG    1       -8.343  -0.177  -1.310  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -7.040   0.174  -1.757  0.00  0.00    -0.495 OA
ENDBRANCH   8  22
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  C   LIG    1        3.886   0.392   1.951  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.454   0.835   0.609  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        5.172  -0.138  -0.254  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.664   0.334  -1.470  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        6.351  -0.519  -2.342  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.544  -1.855  -1.994  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.054  -2.334  -0.780  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.454   1.745  -1.831  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        5.877   2.207  -2.884  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        4.762   2.505  -0.920  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        4.608   3.481  -1.154  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        5.370  -1.481   0.091  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        4.270   2.078   0.273  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4