REMARK  Name = BDB053923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216   1.579  -0.626  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.273   1.844   0.350  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1       -0.066   1.109   1.012  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.403   2.317  -1.588  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -0.014  -1.361  -0.287  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -1.435  -0.919  -0.245  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -1.980   0.346  -0.408  0.00  0.00    +0.136 A 
ATOM      8  N   LIG    1       -3.372   0.376  -0.375  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1       -3.875  -0.824  -0.161  0.00  0.00    +0.109 A 
ATOM     10  S   LIG    1       -2.688  -2.059   0.007  0.00  0.00    -0.072 S 
BRANCH   9  11
ATOM     11  C   LIG    1       -5.325  -1.101  -0.080  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -5.860  -2.347   0.287  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -7.245  -2.548   0.349  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -8.114  -1.504   0.045  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -9.814  -1.754   0.122  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -7.611  -0.260  -0.319  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -6.228  -0.063  -0.380  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.741   2.882   0.160  0.00  0.00    +0.091 C 
ATOM     19  C   LIG    1        1.938   2.317  -0.639  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1        2.611   1.257   0.140  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1        2.801   1.483   1.581  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        2.561   2.943   1.955  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        1.185   3.444   1.518  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1        3.362   0.269  -0.491  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        3.750  -0.896   0.193  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.487  -1.917  -0.429  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1        4.856  -1.790  -1.768  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        4.484  -0.650  -2.472  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        3.746   0.359  -1.839  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1        4.839  -3.112   0.374  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        4.531  -3.306   1.536  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.562  -4.012  -0.316  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        5.721  -4.732   0.330  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6