REMARK  Name = BDB018946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.307   1.295   0.360  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.966   0.679   0.393  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.040   1.262   1.090  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.293   0.624   1.130  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.512  -0.593   0.471  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.458  -1.188  -0.238  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.870   2.554   1.847  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.640   3.316   1.384  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.202  -0.546  -0.255  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.552   2.372   1.330  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -5.152   0.004  -0.431  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.782   0.344  -0.700  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.607   0.316  -2.088  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -2.369   0.579  -2.689  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -1.291   0.892  -1.859  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -1.409   0.960  -0.464  0.00  0.00    +0.070 A 
ATOM     17  F   LIG    1       -0.117   1.170  -2.449  0.00  0.00    -0.203 F 
ATOM     18  N   LIG    1       -4.831   0.013  -2.644  0.00  0.00    -0.349 N 
ATOM     19  C   LIG    1       -5.097  -0.099  -4.061  0.00  0.00    +0.149 C 
ATOM     20  C   LIG    1       -2.669   0.690   0.105  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -5.765  -0.156  -1.662  0.00  0.00    +0.099 A 
BRANCH  11  25
ATOM     22  C   LIG    1       -5.669  -0.942   3.146  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1       -5.075  -0.588   1.883  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -4.189  -1.011   1.640  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -5.859  -0.146   0.839  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1       -7.065   0.053   0.947  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        4.827  -1.195   0.548  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.979  -0.601   0.079  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.990  -1.482   0.336  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.389  -1.314   0.029  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.575  -2.611   0.938  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.258  -2.431   1.075  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1        2.623  -2.495  -0.971  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        2.679  -3.560  -0.123  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        1.593  -2.771  -1.825  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4