REMARK  Name = BDB063262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.566   0.706  -0.920  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -1.681   1.663  -1.149  0.00  0.00    +0.071 C 
ATOM      3  C   LIG    1       -2.237   1.387  -2.553  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -2.827   1.645  -0.093  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1       -3.304   0.292   0.187  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -2.327  -0.796   0.098  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.881  -0.258   0.153  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.543   0.016   0.685  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1       -5.727   1.226   1.050  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1       -6.838   0.025   1.568  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -6.239  -1.224   1.435  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1       -6.970  -2.372   1.804  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -8.275  -2.238   2.292  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -8.848  -0.976   2.414  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1      -10.454  -0.831   3.017  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -8.147   0.178   2.057  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1       -4.949  -1.210   0.941  0.00  0.00    -0.225 NA
ENDBRANCH   5   8
BRANCH   1  18
ATOM     18  C   LIG    1        0.708   1.409  -0.687  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.947   0.498  -0.687  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.103   1.329  -0.540  0.00  0.00    -0.490 OA
BRANCH  20  23
ATOM     21  C   LIG    1        5.236   3.090  -0.461  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        5.435   1.603  -0.565  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1        4.333   0.731  -0.609  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.548  -0.649  -0.706  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        5.851  -1.171  -0.767  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        6.942  -0.295  -0.733  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.734   1.079  -0.632  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.079  -2.663  -0.836  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.595  -3.311   0.433  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        7.156  -4.400   0.432  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.350  -2.651   1.586  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        5.908  -1.786   1.477  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8