REMARK  Name = BDB013948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.138  -0.419   0.256  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.349   0.522  -0.653  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.830   1.622  -0.960  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.918   0.127  -1.088  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.462  -1.201  -0.964  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.318  -2.033   0.164  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.942  -3.308   0.158  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.679  -3.771  -0.927  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.812  -2.965  -2.040  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.615  -1.721   1.467  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.212  -1.704  -2.054  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.330  -0.539   1.538  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.485  -0.531   1.089  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.449   0.163   0.510  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.575   1.167   0.383  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.399  -1.716   1.397  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.773   0.316   1.249  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.718  -0.343   2.252  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.470   2.650   1.459  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.388   1.694   1.644  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.100   1.688   2.623  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.673   1.138  -1.852  0.00  0.00    +0.154 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.075   1.357  -1.342  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.178   1.215  -2.189  0.00  0.00    +0.169 A 
ATOM     25  F   LIG    1       -3.989   0.875  -3.472  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1       -5.475   1.413  -1.722  0.00  0.00    +0.197 A 
ATOM     27  F   LIG    1       -6.515   1.262  -2.554  0.00  0.00    -0.199 F 
ATOM     28  C   LIG    1       -5.689   1.768  -0.398  0.00  0.00    +0.199 A 
ATOM     29  F   LIG    1       -6.937   1.960   0.052  0.00  0.00    -0.199 F 
ATOM     30  C   LIG    1       -4.609   1.930   0.456  0.00  0.00    +0.197 A 
ATOM     31  F   LIG    1       -4.810   2.282   1.733  0.00  0.00    -0.199 F 
ATOM     32  C   LIG    1       -3.313   1.731  -0.015  0.00  0.00    +0.169 A 
ATOM     33  F   LIG    1       -2.281   1.905   0.824  0.00  0.00    -0.202 F 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5