REMARK  Name = BDB065412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.051  -0.467  -1.701  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.965  -1.284  -1.500  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -1.923  -2.492  -1.691  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.809  -0.482  -1.015  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.376  -1.046  -0.749  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1       -1.249   1.177  -0.903  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.886   0.867  -1.448  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -3.719   1.752  -1.574  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.579  -0.350  -0.280  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        1.622   0.272   0.970  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.789   0.915   1.397  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.936   0.950   0.592  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.885   0.307  -0.649  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.720  -0.336  -1.084  0.00  0.00    +0.010 A 
BRANCH  12  15
ATOM     15  N   LIG    1        5.093   1.575   1.085  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1        4.907   2.311   1.758  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1        6.459   1.380   0.812  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        6.975   0.171   0.335  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        8.334   0.044   0.041  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        8.946  -1.459  -0.535  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        9.200   1.120   0.210  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        8.703   2.333   0.679  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        7.342   2.459   0.975  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1       -4.326  -0.997  -2.131  0.00  0.00    +0.152 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -6.824  -0.755   0.748  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1       -6.043  -0.422  -0.360  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -5.195  -1.375  -0.953  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -5.131  -2.665  -0.410  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.913  -3.002   0.693  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.756  -2.050   1.266  0.00  0.00    +0.045 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -7.740   1.429   0.958  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -7.681   0.081   1.409  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6