REMARK  Name = BDB028651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -0.221   1.102  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.043   0.102   1.167  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.081   1.445   0.847  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.241   2.211   0.788  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.442   1.546   1.079  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.432   0.172   1.407  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.181   1.885   0.599  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -2.242  -0.577   1.453  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        1.073   0.838   0.749  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.842  -1.489   1.342  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        0.200  -2.244   1.577  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        2.463  -1.871   1.436  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        3.069  -0.965   2.387  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        2.504  -3.306   1.647  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        4.245  -0.906  -0.463  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        3.058  -1.589  -0.210  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        2.295  -2.082  -1.280  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        2.715  -1.880  -2.596  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.903  -1.191  -2.860  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        4.386  -1.017  -4.269  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.674  -0.729  -1.785  0.00  0.00    +0.051 A 
BRANCH  15  22
ATOM     22  O   LIG    1        5.076  -0.500   0.543  0.00  0.00    -0.490 OA
BRANCH  22  24
ATOM     23  C   LIG    1        5.820   1.278   1.955  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        5.019   0.922   0.716  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1       -2.152  -1.910   1.750  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1       -3.372  -2.601   2.003  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1       -4.754   2.300   1.039  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.582   1.874  -0.081  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1       -6.532   0.931   0.100  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -7.089   0.810  -1.108  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -6.508   1.671  -2.056  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -5.536   2.351  -1.361  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8