REMARK  Name = BDB026612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.846   1.673   0.853  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        0.711   1.986   1.626  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.573   1.719   1.083  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.705   2.062   1.866  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.589   2.630   3.136  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.333   2.871   3.666  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.647   1.126  -0.210  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        0.456   0.832  -0.932  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1        0.802   2.554   2.921  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.660   1.099  -0.394  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -1.821   0.800  -0.847  0.00  0.00    -0.314 N 
ATOM     12  C   LIG    1       -2.658  -0.286  -0.344  0.00  0.00    +0.114 C 
ATOM     13  C   LIG    1       -4.098   0.173  -0.657  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -3.908   1.143  -1.831  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -2.606   1.854  -1.470  0.00  0.00    +0.107 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.081  -0.943  -0.918  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -4.896  -1.861  -1.963  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -5.818  -2.886  -2.184  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.937  -3.008  -1.364  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.135  -2.104  -0.323  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.213  -1.079  -0.101  0.00  0.00    +0.004 A 
ENDBRANCH  13  16
ENDBRANCH   7  11
BRANCH   1  22
ATOM     22  N   LIG    1        3.180   1.884   1.329  0.00  0.00    -0.214 N 
ATOM     23  H   LIG    1        3.386   2.778   1.772  0.00  0.00    +0.174 HD
BRANCH  22  24
ATOM     24  S   LIG    1        3.936   0.608   2.139  0.00  0.00    +0.072 S 
ATOM     25  O   LIG    1        2.945  -0.181   2.837  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1        5.051   1.201   2.846  0.00  0.00    -0.150 OA
BRANCH  24  30
ATOM     27  C   LIG    1        5.690  -1.874  -1.270  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        6.327  -0.702  -0.854  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        5.787   0.059   0.188  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.604  -0.354   0.807  0.00  0.00    +0.109 A 
ATOM     31  C   LIG    1        3.969  -1.531   0.410  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        4.513  -2.282  -0.633  0.00  0.00    +0.047 A 
BRANCH  27  34
ATOM     33  C   LIG    1        7.304  -2.340  -2.955  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        6.110  -2.704  -2.273  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  24  30
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6