REMARK  Name = BDB015682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743  -1.046   0.164  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.895  -0.002  -0.673  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.170   0.343  -1.416  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.354  -0.279  -1.406  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.438  -1.328  -0.589  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.427  -1.770   0.230  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -2.633  -2.273   4.503  0.00  0.00    +0.152 C 
ATOM      8  N   LIG    1       -2.876  -1.984   3.098  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -4.183  -2.012   2.616  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -5.177  -2.287   3.281  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -4.345  -1.671   1.180  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.277  -1.376   0.429  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -1.931  -1.387   0.981  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.791  -1.670   2.291  0.00  0.00    +0.098 A 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  N   LIG    1        2.716  -1.935  -0.571  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.702  -2.955  -0.574  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.740  -1.409   0.654  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1        3.028  -0.544   1.568  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.380  -2.617   1.133  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.971  -0.467  -0.227  0.00  0.00    +0.197 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.407   0.758  -0.920  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.524   1.636  -1.415  0.00  0.00    +0.392 C 
ATOM     23  F   LIG    1        6.319   0.965  -2.277  0.00  0.00    -0.171 F 
ATOM     24  F   LIG    1        5.043   2.721  -2.055  0.00  0.00    -0.171 F 
ATOM     25  F   LIG    1        6.295   2.066  -0.394  0.00  0.00    -0.171 F 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   3  26
ATOM     26  O   LIG    1        0.092   1.431  -2.276  0.00  0.00    -0.419 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.085   2.135  -2.231  0.00  0.00    +0.185 A 
ATOM     28  C   LIG    1       -1.225   3.255  -1.409  0.00  0.00    +0.086 A 
ATOM     29 CL   LIG    1        0.062   3.790  -0.393  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -2.428   3.967  -1.401  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -3.487   3.568  -2.222  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.341   2.459  -3.055  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -2.141   1.754  -3.058  0.00  0.00    +0.167 A 
ATOM     34  F   LIG    1       -2.012   0.693  -3.869  0.00  0.00    -0.202 F 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 8