REMARK  Name = BDB013943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.753  -0.326  -0.412  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.871  -0.253   0.847  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.334   0.192   1.907  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.497  -0.497   0.697  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.966  -1.827   0.410  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.513  -2.561  -0.702  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.016  -3.860  -0.936  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.956  -4.437  -0.089  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.412  -3.722   1.005  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.444  -2.003  -1.718  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.923  -2.435   1.247  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.787  -1.679  -1.095  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.951   0.719  -0.909  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.108   0.073  -0.034  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.270   0.293   0.952  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.716   0.844  -2.108  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.258   1.218  -0.263  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.243   0.054  -0.187  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.308   3.013   1.081  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.009   1.731   1.109  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.907   1.867   1.575  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.341   0.413   1.481  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.623   0.808   0.767  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -2.586   1.488  -0.466  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -3.783   1.831  -1.101  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.013   1.507  -0.519  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -5.069   0.850   0.716  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -3.867   0.505   1.350  0.00  0.00    +0.021 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.397   0.486   1.334  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -6.829  -0.745   0.947  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -6.361   0.459   2.696  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.396   1.353   1.008  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1       -1.339   1.789  -0.949  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -1.252   2.295  -2.275  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7