REMARK  Name = BDB063264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.439   2.939  -1.396  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -1.674   1.490  -0.959  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -0.360   0.810  -0.819  0.00  0.00    -0.293 NA
ATOM      4  C   LIG    1       -0.373  -0.177   0.282  0.00  0.00    +0.104 C 
ATOM      5  C   LIG    1       -1.730  -0.872   0.531  0.00  0.00    +0.122 C 
ATOM      6  N   LIG    1       -2.792   0.108   0.782  0.00  0.00    -0.307 N 
ATOM      7  C   LIG    1       -2.541   1.481   0.335  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -3.813  -0.233   1.618  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1       -4.976   0.896   2.229  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1       -5.773  -0.349   3.099  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -5.106  -1.550   2.871  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1       -5.587  -2.723   3.489  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.715  -2.662   4.314  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -7.361  -1.448   4.523  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -8.749  -1.393   5.542  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -6.907  -0.270   3.924  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1       -4.009  -1.466   2.037  0.00  0.00    -0.225 NA
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  C   LIG    1        0.082   0.218  -2.099  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.608   0.022  -2.184  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.241   1.308  -2.279  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.505   1.314  -1.750  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.832   2.260  -0.775  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        2.673   3.400  -0.196  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.119   2.286  -0.235  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        6.086   1.379  -0.676  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        5.778   0.441  -1.673  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        4.483   0.427  -2.215  0.00  0.00    +0.051 A 
BRANCH  26  28
ATOM     28  C   LIG    1        6.830  -0.521  -2.175  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.522  -1.987  -1.933  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        5.496  -2.438  -1.449  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.531  -2.798  -2.341  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        8.300  -2.329  -2.718  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