REMARK  Name = BDB052570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.473  -0.286  -1.626  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.833   0.982  -1.388  0.00  0.00    -0.187 NA
ATOM      3  C   LIG    1       -2.026   1.150  -0.796  0.00  0.00    +0.222 A 
ATOM      4  C   LIG    1       -2.858   0.118  -0.449  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -2.387  -1.134  -0.747  0.00  0.00    +0.222 A 
ATOM      6  N   LIG    1       -1.202  -1.369  -1.331  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        1.109  -0.559  -2.375  0.00  0.00    -0.071 S 
BRANCH   7   8
ATOM      8  C   LIG    1        2.151   0.240  -1.090  0.00  0.00    +0.162 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.031  -0.580   0.185  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1        2.566  -1.650   0.429  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        1.226  -0.007   1.104  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        1.214  -0.652   1.843  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        3.604   0.303  -1.587  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.457   1.381  -0.899  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.713   2.137   1.148  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        4.718   1.133   0.585  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  O   LIG    1       -2.471   2.419  -0.487  0.00  0.00    -0.476 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.585   3.483  -0.853  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.500   3.712   0.204  0.00  0.00    +0.044 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.075   4.231   1.493  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -0.198   4.992   2.453  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -1.284   5.709   1.699  0.00  0.00    +0.004 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   5  23
ATOM     23  O   LIG    1       -3.206  -2.192  -0.401  0.00  0.00    -0.476 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.663  -3.470  -0.748  0.00  0.00    +0.231 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.666  -4.540  -0.319  0.00  0.00    +0.044 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.189  -5.920  -0.660  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -2.279  -6.667   0.279  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.708  -7.106   0.110  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 15