REMARK  Name = BDB033565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.349   0.491   0.907  0.00  0.00    +0.194 A 
ATOM      2  C   LIG    1        0.786   0.149   0.133  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1        1.090   1.311  -0.551  0.00  0.00    +0.264 A 
ATOM      4  N   LIG    1        2.096   1.502  -1.424  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        2.866   0.403  -1.616  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        2.646  -0.831  -0.986  0.00  0.00    +0.071 A 
ATOM      7  O   LIG    1        0.189   2.273  -0.209  0.00  0.00    -0.333 OA
ATOM      8  C   LIG    1        1.591  -0.980  -0.080  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.719   1.758   0.703  0.00  0.00    -0.059 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.997  -0.397   1.754  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.731  -1.379   1.715  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.498  -0.128   2.438  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.365   1.020   3.309  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.925  -1.407   2.976  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.550  -0.626  -0.047  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.561   0.227   1.067  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.418   1.331   1.072  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.239   1.587  -0.034  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.186   0.765  -1.158  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.339  -0.340  -1.167  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.484  -2.933   0.008  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.726  -1.723  -0.090  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.576   2.118   2.179  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.976   3.401   1.992  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.273  -2.126   0.596  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.224  -3.185   0.544  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.012   0.553  -2.589  0.00  0.00    +0.198 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.293   0.440  -1.911  0.00  0.00    -0.266 N 
ATOM     29  N   LIG    1        5.916  -0.757  -1.839  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.046  -0.485  -1.181  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.149   0.874  -0.830  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.000   1.449  -1.319  0.00  0.00    +0.109 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8