REMARK  Name = BDB063266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.110   0.933  -2.477  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        2.038   0.485  -1.467  0.00  0.00    +0.086 C 
ATOM      3  N   LIG    1        2.263   1.117  -0.140  0.00  0.00    -0.304 N 
ATOM      4  C   LIG    1        1.069   1.397   0.699  0.00  0.00    +0.122 C 
ATOM      5  C   LIG    1       -0.204   1.742  -0.089  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1       -0.500   0.835  -1.210  0.00  0.00    -0.296 NA
ATOM      7  C   LIG    1        0.665   0.870  -2.103  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.361   0.793   0.629  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        4.469  -0.499   0.298  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.368  -0.141   1.713  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.760   0.924   2.370  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        5.324   1.395   3.573  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.479   0.791   4.082  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        7.066  -0.272   3.404  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        8.486  -1.005   4.046  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.527  -0.760   2.211  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1        3.627   1.421   1.758  0.00  0.00    -0.225 NA
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1       -0.868  -0.515  -0.748  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.323  -1.494  -1.856  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.337  -0.981  -2.730  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.523  -0.640  -2.135  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -4.114   0.580  -2.482  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1       -3.381   1.649  -3.625  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -5.320   0.968  -1.895  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -5.950   0.134  -0.969  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.388  -1.106  -0.635  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.179  -1.491  -1.239  0.00  0.00    +0.051 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.075  -2.021   0.352  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.321  -2.211   1.648  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -4.160  -1.931   1.893  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.085  -2.804   2.590  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -5.491  -2.879   3.366  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 8