REMARK  Name = BDB063263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.798   1.625   4.325  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.439   0.422   3.447  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1        0.952   0.451   2.962  0.00  0.00    -0.293 NA
ATOM      4  C   LIG    1        1.211  -0.750   2.148  0.00  0.00    +0.104 C 
ATOM      5  C   LIG    1        0.205  -1.044   1.022  0.00  0.00    +0.122 C 
ATOM      6  N   LIG    1       -1.204  -0.934   1.451  0.00  0.00    -0.307 N 
ATOM      7  C   LIG    1       -1.518   0.195   2.353  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.127  -1.261   0.483  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1       -3.841  -1.125   0.724  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1       -4.137  -1.666  -0.876  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -2.916  -1.933  -1.497  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1       -2.917  -2.386  -2.834  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.133  -2.562  -3.506  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.335  -2.287  -2.859  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -6.822  -2.515  -3.702  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -5.365  -1.836  -1.537  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1       -1.798  -1.720  -0.711  0.00  0.00    -0.225 NA
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  C   LIG    1        1.479   1.691   2.381  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.727   2.392   1.232  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.580   3.283   0.492  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.437   2.644  -0.373  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.806   2.928  -0.308  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        4.435   4.060   0.834  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        4.700   2.261  -1.150  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.234   1.316  -2.067  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.864   1.052  -2.170  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        1.969   1.742  -1.335  0.00  0.00    +0.051 A 
BRANCH  26  28
ATOM     28  C   LIG    1        2.338   0.009  -3.131  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.804  -1.216  -2.427  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        2.159  -1.662  -1.345  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        0.854  -1.855  -3.148  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        0.555  -2.574  -2.547  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   3  18
TORSDOF 8