REMARK  Name = BDB002426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.309  -3.651   2.356  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        1.659  -1.656   2.037  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1        1.429  -1.849   1.061  0.00  0.00    +0.155 HD
ATOM      4  C   LIG    1        1.041  -2.467   2.976  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1        1.041  -2.296   4.193  0.00  0.00    -0.275 OA
BRANCH   2   8
ATOM      6  C   LIG    1        3.607   1.387   1.263  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        2.853   0.213   1.128  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        2.409  -0.484   2.261  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.729   0.007   3.528  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.464   1.188   3.668  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.899   1.880   2.540  0.00  0.00    +0.015 A 
BRANCH   6  12
ATOM     12  C   LIG    1        4.123   2.140   0.091  0.00  0.00    +0.339 C 
ATOM     13  O   LIG    1        4.511   3.296   0.153  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.139   1.347  -1.010  0.00  0.00    -0.461 OA
BRANCH  14  16
ATOM     15  C   LIG    1        3.607   2.572  -3.024  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        4.702   1.933  -2.192  0.00  0.00    +0.229 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   2   8
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  S   LIG    1       -1.436  -3.238   2.061  0.00  0.00    -0.077 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.279  -2.074   0.793  0.00  0.00    +0.192 A 
ATOM     19  N   LIG    1       -2.172  -1.067   0.535  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1       -1.594  -0.321  -0.471  0.00  0.00    +0.168 A 
ATOM     21  N   LIG    1       -0.439  -0.877  -0.796  0.00  0.00    -0.128 NA
ATOM     22  N   LIG    1       -0.251  -1.984  -0.017  0.00  0.00    -0.122 NA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.116   0.972  -1.179  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -1.412   1.628  -2.172  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -0.107   1.396  -2.828  0.00  0.00    +0.087 C 
ATOM     26  O   LIG    1       -2.110   2.716  -2.604  0.00  0.00    -0.467 OA
ATOM     27  C   LIG    1       -3.260   2.758  -1.889  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1       -3.312   1.710  -0.999  0.00  0.00    +0.053 A 
ENDBRANCH  20  23
BRANCH  19  29
ATOM     29  C   LIG    1       -3.424  -0.808   1.214  0.00  0.00    +0.154 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.630  -1.328   0.436  0.00  0.00    +0.181 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -4.662  -2.753   0.510  0.00  0.00    -0.381 OA
ATOM     32  C   LIG    1       -5.770  -3.299  -0.196  0.00  0.00    +0.194 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  19  29
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11