REMARK  Name = BDB062284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651   2.836  -1.163  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.711   2.173  -0.865  0.00  0.00    -0.005 C 
ATOM      3  C   LIG    1        1.220   1.309  -2.035  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1        1.923   0.019  -1.594  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        2.791   0.283  -0.453  0.00  0.00    -0.310 N 
ATOM      6  C   LIG    1        2.173   0.892   0.732  0.00  0.00    +0.107 C 
ATOM      7  C   LIG    1        0.755   1.393   0.450  0.00  0.00    +0.022 C 
BRANCH   5   8
ATOM      8  C   LIG    1        3.971  -0.381  -0.250  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        4.747  -1.377  -1.436  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        6.035  -1.718  -0.357  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.801  -1.049   0.841  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        6.738  -1.179   1.888  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        7.876  -1.973   1.707  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        8.083  -2.630   0.499  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        9.490  -3.603   0.295  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        7.173  -2.518  -0.555  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1        4.641  -0.302   0.882  0.00  0.00    -0.225 NA
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.861   1.899  -1.220  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.237   1.534   0.108  0.00  0.00    -0.492 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -3.437   0.120   1.557  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1       -3.228   0.599   0.251  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.025   0.119  -0.795  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -5.017  -0.849  -0.567  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -5.213  -1.325   0.733  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.435  -0.840   1.785  0.00  0.00    +0.007 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.161   1.945   3.265  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -2.626   0.626   2.728  0.00  0.00    +0.035 C 
ENDBRANCH  20  27
BRANCH  23  28
ATOM     28  C   LIG    1       -5.869  -1.359  -1.706  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.125  -2.210  -2.708  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -3.921  -2.287  -2.889  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.969  -2.910  -3.497  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -5.372  -3.402  -4.099  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9