REMARK  Name = BDB019772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.667   2.167   0.622  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.381   1.643   1.392  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.284   0.358   1.933  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.875  -0.401   1.757  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.941   0.108   1.002  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.820   1.386   0.431  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        0.974   2.722  -1.835  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.195   3.788  -1.115  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -0.567   3.507   0.036  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.248   4.578   0.623  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -1.224   5.854   0.172  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -0.475   6.088  -0.923  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        0.241   5.106  -1.589  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.384  -0.211   2.737  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.639  -0.299   2.198  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        3.347  -0.621   2.848  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.155  -0.621   3.870  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.055  -0.022   0.834  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.247  -0.859   0.434  0.00  0.00    +0.061 A 
ATOM     20  N   LIG    1        5.455  -0.247   0.402  0.00  0.00    -0.223 NA
ATOM     21  C   LIG    1        6.519  -1.006   0.067  0.00  0.00    +0.213 A 
ATOM     22  F   LIG    1        7.718  -0.406   0.027  0.00  0.00    -0.184 F 
ATOM     23  C   LIG    1        6.448  -2.354  -0.234  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.204  -2.971  -0.189  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.085  -2.216   0.153  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1       -3.180  -0.725   0.780  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.896  -1.743  -0.210  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -2.401  -1.370  -1.015  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.835  -2.616  -0.629  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -4.672  -3.146   0.298  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -4.208  -3.389   1.165  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -5.369  -4.241  -0.345  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -5.111  -3.943  -1.825  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -3.958  -3.000  -1.866  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7