REMARK  Name = BDB038537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784   2.744   0.008  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -1.720   1.757   0.325  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.362   0.407   0.486  0.00  0.00    -0.031 A 
ATOM      4  C   LIG    1        0.003   0.097   0.293  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.976   1.064  -0.027  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        0.555   2.392  -0.163  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.339   0.688  -0.204  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        3.405   1.538  -0.522  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        3.444   2.739  -0.719  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.611   0.705  -0.599  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.910   1.084  -0.883  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.885   0.086  -0.893  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.543  -1.252  -0.622  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.216  -1.623  -0.335  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.258  -0.612  -0.329  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.790  -0.690  -0.063  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.836  -3.050  -0.043  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        4.287  -3.191   1.195  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.901  -3.520  -0.914  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.877  -3.922  -0.098  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   5   7
BRANCH   3  21
ATOM     21  C   LIG    1       -2.461  -0.716   0.846  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1       -3.500  -0.361   1.959  0.00  0.00    +0.174 C 
ATOM     23  O   LIG    1       -3.308  -1.670   2.574  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1       -2.032  -1.781   1.898  0.00  0.00    +0.174 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -2.994  -1.336  -0.465  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.401  -1.827  -0.447  0.00  0.00    +0.134 A 
ATOM     27  N   LIG    1       -4.831  -3.083  -0.108  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1       -4.057  -4.225   0.293  0.00  0.00    +0.151 C 
ATOM     29  C   LIG    1       -6.188  -3.063  -0.226  0.00  0.00    +0.224 A 
ATOM     30  N   LIG    1       -6.577  -1.878  -0.630  0.00  0.00    -0.138 NA
ATOM     31  N   LIG    1       -5.454  -1.102  -0.773  0.00  0.00    -0.135 NA
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH   3  21
BRANCH   1  32
ATOM     32  O   LIG    1       -1.307   4.003  -0.105  0.00  0.00    -0.492 OA
BRANCH  32  34
ATOM     33  C   LIG    1       -1.205   6.345  -0.531  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1       -0.407   5.056  -0.449  0.00  0.00    +0.225 C 
ENDBRANCH  32  34
ENDBRANCH   1  32
TORSDOF 7