REMARK  Name = BDB048602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.243   0.102  -0.345  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.240   0.015  -0.599  0.00  0.00    -0.037 A 
ATOM      3  C   LIG    1       -1.794   0.528  -1.778  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -3.168   0.436  -2.011  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -4.011  -0.177  -1.082  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.466  -0.692   0.093  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.090  -0.601   0.331  0.00  0.00    +0.008 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -5.333  -0.187  -1.434  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -6.241  -0.965  -0.646  0.00  0.00    +0.266 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.789  -0.219   0.555  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -7.348  -0.899   1.651  0.00  0.00    +0.047 A 
ATOM     12 CL   LIG    1       -7.426  -2.624   1.712  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -7.872  -0.193   2.740  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -7.859   1.202   2.746  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -7.328   1.888   1.658  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -7.322   3.608   1.654  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -6.805   1.190   0.569  0.00  0.00    +0.028 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        1.118  -1.355  -1.001  0.00  0.00    -0.120 S 
BRANCH  18  25
ATOM     19  C   LIG    1        5.415  -0.170   0.223  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        4.873   0.257  -0.982  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        5.506   1.155  -2.004  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1        4.630   0.881  -3.230  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        3.238   0.520  -2.699  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        3.574  -0.103  -1.375  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        2.776  -0.894  -0.560  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        3.320  -1.337   0.651  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        4.623  -0.975   1.044  0.00  0.00    +0.047 A 
BRANCH  19  28
ATOM     28  O   LIG    1        6.672   0.280   0.510  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.400  -0.397   1.534  0.00  0.00    +0.349 C 
BRANCH  29  31
ATOM     30  O   LIG    1        7.503  -0.298   3.956  0.00  0.00    -0.247 OA
ATOM     31  C   LIG    1        7.174   0.227   2.903  0.00  0.00    +0.343 C 
BRANCH  31  32
ATOM     32  O   LIG    1        6.589   1.448   2.845  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        6.383   1.684   1.914  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  19  28
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 10