REMARK  Name = BDB019560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.108  -1.204   0.308  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.798  -1.423   0.758  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.739  -0.639   0.287  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.988   0.394  -0.625  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.291   0.634  -1.089  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -3.339  -0.172  -0.616  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.247  -3.486  -1.263  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -4.774  -3.091   0.088  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.217  -2.022   0.811  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.767  -1.744   2.072  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.824  -2.507   2.557  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -6.306  -3.529   1.765  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -7.329  -4.265   2.222  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -5.812  -3.836   0.549  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        0.628  -0.911   0.812  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        1.676  -0.605  -0.033  0.00  0.00    -0.308 N 
ATOM     17  H   LIG    1        1.477  -0.450  -1.011  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        0.769  -1.406   1.923  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.061  -0.914   0.326  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1        3.347  -2.378  -0.028  0.00  0.00    +0.028 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.030   0.075  -0.380  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        5.509  -0.306  -0.144  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        6.443   0.884  -0.329  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        6.150   1.990   0.684  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.686   2.035   1.122  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        3.752   1.546   0.020  0.00  0.00    +0.005 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  27
ATOM     27  C   LIG    1       -2.569   1.762  -2.052  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.602   3.045  -1.372  0.00  0.00    -0.332 N 
ATOM     29  C   LIG    1       -3.663   3.557  -0.683  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1       -3.398   4.757  -0.218  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -2.117   5.028  -0.624  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1       -1.604   3.980  -1.352  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6