REMARK  Name = BDB048710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.932  -1.280  -0.263  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -0.079  -0.483   0.127  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.991  -1.001  -1.305  0.00  0.00    +0.117 C 
BRANCH   3   4
ATOM      4  C   LIG    1        2.097  -2.148  -2.306  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        1.411  -2.064  -3.530  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        1.471  -3.106  -4.458  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        2.212  -4.248  -4.167  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1        2.296  -5.659  -5.422  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        2.887  -4.361  -2.954  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.825  -3.318  -2.026  0.00  0.00    +0.006 A 
ENDBRANCH   3   4
BRANCH   3  12
ATOM     11  C   LIG    1        4.298  -0.467  -0.057  0.00  0.00    -0.058 C 
ATOM     12  C   LIG    1        3.265  -0.711  -0.619  0.00  0.00    -0.084 C 
BRANCH  11  16
ATOM     13  C   LIG    1        8.057   0.938   3.385  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        7.311   0.462   2.187  0.00  0.00    -0.012 A 
ATOM     15  S   LIG    1        5.598   0.434   2.204  0.00  0.00    -0.085 S 
ATOM     16  C   LIG    1        5.523  -0.181   0.614  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        6.777  -0.362   0.074  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        7.812   0.009   0.984  0.00  0.00    +0.012 A 
ENDBRANCH  11  16
ENDBRANCH   3  12
ENDBRANCH   1   3
BRANCH   2  19
ATOM     19  C   LIG    1       -0.398   0.907  -0.345  0.00  0.00    +0.256 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.675   0.911  -0.984  0.00  0.00    -0.488 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.777   1.267  -0.258  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -3.923   1.505  -1.027  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -5.137   1.880  -0.432  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -6.344   2.145  -1.282  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -5.193   1.967   0.963  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -4.055   1.747   1.738  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -2.850   1.387   1.129  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -6.355   2.338   1.583  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -7.108   1.196   1.990  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.893   0.758   3.429  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1       -7.069  -0.371   3.863  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.535   1.752   4.266  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -6.478   1.322   5.144  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 11