REMARK  Name = BDB063265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.450   0.048  -2.530  0.00  0.00    +0.009 C 
ATOM      2  C   LIG    1        0.126  -0.241  -1.056  0.00  0.00    +0.007 C 
ATOM      3  C   LIG    1        0.059  -1.774  -0.807  0.00  0.00    -0.002 C 
ATOM      4  C   LIG    1        1.067  -2.223   0.259  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        2.457  -1.659  -0.032  0.00  0.00    +0.107 C 
ATOM      6  N   LIG    1        2.430  -0.202  -0.173  0.00  0.00    -0.309 N 
ATOM      7  C   LIG    1        1.134   0.469  -0.133  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.622   0.460  -0.061  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        3.773   2.180   0.068  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.481   2.058   0.149  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.836   0.714   0.071  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        7.202   0.367   0.118  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        8.170   1.370   0.240  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        7.786   2.704   0.316  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        8.992   3.925   0.466  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.441   3.077   0.272  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1        4.780  -0.168  -0.047  0.00  0.00    -0.225 NA
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.376  -2.281  -0.530  0.00  0.00    +0.045 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.943  -2.035   0.873  0.00  0.00    +0.229 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.843  -0.669   1.260  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.959   0.121   1.185  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -2.973   1.278   1.977  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1       -1.646   1.675   3.013  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -4.066   2.146   1.952  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -5.155   1.875   1.123  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.151   0.740   0.303  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.045  -0.129   0.338  0.00  0.00    +0.051 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.321   0.451  -0.611  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.186  -0.702  -0.161  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -6.944  -1.538   0.693  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.338  -0.768  -0.863  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -8.798  -1.550  -0.488  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