REMARK  Name = BDB059913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.968  -0.465  -0.447  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.403   0.844  -0.534  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1        0.014   0.893  -0.508  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.358   2.206  -0.599  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1        0.680   3.005  -0.648  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1       -0.805  -0.248  -0.436  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.269  -1.437  -0.416  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.792   2.172  -0.671  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        1.107  -1.508  -0.410  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.474  -1.917   0.151  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        6.034  -1.544  -0.039  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        5.283  -1.372   1.075  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        3.986  -1.028   0.898  0.00  0.00    +0.119 A 
ATOM     14  C   LIG    1        3.389  -0.823  -0.343  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.178  -1.031  -1.472  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.518  -1.387  -1.322  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   8  17
ATOM     17  S   LIG    1        3.393   2.845  -0.850  0.00  0.00    +0.013 S 
ATOM     18  O   LIG    1        4.101   1.937  -1.728  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1        3.199   4.237  -1.207  0.00  0.00    -0.168 OA
ATOM     20  C   LIG    1        4.074   2.777   0.782  0.00  0.00    +0.202 C 
ENDBRANCH   8  17
BRANCH   6  21
ATOM     21  N   LIG    1       -2.176  -0.128  -0.413  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.562  -1.035  -0.669  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.818   0.293   0.829  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.291   0.447   0.603  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.181  -0.620   0.687  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.953  -2.035   1.067  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.297  -2.628   0.643  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.286  -1.574   0.613  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.541  -0.433   0.469  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.077   0.801   0.157  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.201   1.880   0.048  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.829   1.696   0.266  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.017   2.758   0.159  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5