REMARK  Name = BDB019604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.048   0.696  -1.371  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.321   1.944  -1.947  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.614   2.987  -1.877  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.827   2.765  -1.205  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.117   1.520  -0.623  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.177   0.483  -0.725  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.072  -1.343  -0.509  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1        0.580  -1.142   0.350  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        1.073  -0.378  -1.495  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        1.876  -0.349  -2.421  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.135  -2.335  -0.421  0.00  0.00    +0.101 C 
ATOM     12  C   LIG    1        1.538  -3.701  -0.079  0.00  0.00    +0.033 C 
BRANCH  11  15
ATOM     13  C   LIG    1        4.155  -1.651   2.784  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        3.174  -2.152   1.925  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        3.196  -1.843   0.553  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        4.212  -0.996   0.067  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        5.189  -0.483   0.920  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        5.153  -0.819   2.273  0.00  0.00    +0.091 A 
BRANCH  13  20
ATOM     19  C   LIG    1        3.313  -2.806   4.688  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.241  -1.886   4.129  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  17  21
ATOM     21  O   LIG    1        6.215   0.347   0.559  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1        6.266   0.750  -0.804  0.00  0.00    +0.277 C 
ENDBRANCH  17  21
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -0.307   4.335  -2.483  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        0.299   5.170  -1.595  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -1.421   4.992  -2.912  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.522   4.266  -3.560  0.00  0.00    -0.166 F 
ENDBRANCH   3  23
BRANCH   5  27
ATOM     27  C   LIG    1       -3.447   1.290   0.058  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.458   1.020  -0.942  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -4.128   0.392  -1.670  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -5.718   0.681  -0.601  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -6.309   1.370   0.408  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -6.121   2.365   0.372  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -7.717   1.023   0.381  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -7.705  -0.246  -0.478  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -6.403  -0.247  -1.202  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 9