REMARK  Name = BDB002941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.962  -1.534   1.084  0.00  0.00    +0.136 A 
ATOM      2  O   LIG    1       -0.770  -1.601   0.426  0.00  0.00    -0.455 OA
ATOM      3  C   LIG    1       -0.104  -2.739   0.801  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.926  -3.420   1.691  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.101  -2.652   1.875  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.159  -3.143   0.295  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        2.112  -2.322  -0.172  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1        2.135  -0.821  -0.208  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1        1.360   0.013   0.215  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1        3.313  -0.450  -0.823  0.00  0.00    -0.253 N 
ATOM     11  C   LIG    1        4.164  -1.426  -1.213  0.00  0.00    +0.182 A 
ATOM     12  N   LIG    1        5.253  -0.988  -1.780  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        5.096   0.384  -1.752  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        5.957   1.386  -2.222  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        5.577   2.726  -2.076  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.364   3.066  -1.472  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.488   2.085  -0.995  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        3.886   0.753  -1.152  0.00  0.00    +0.077 A 
ATOM     19  S   LIG    1        3.598  -3.004  -0.845  0.00  0.00    -0.046 S 
ENDBRANCH   3   6
BRANCH   1  22
ATOM     20  C   LIG    1       -4.926   0.805   0.969  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1       -4.127  -0.319   1.227  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -2.788  -0.362   0.810  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -2.267   0.751   0.131  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -3.058   1.874  -0.128  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.387   1.902   0.290  0.00  0.00    +0.015 A 
BRANCH  20  27
ATOM     26  O   LIG    1       -6.869  -0.130   2.036  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1       -6.333   0.783   1.436  0.00  0.00    +0.337 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -7.004   1.907   1.130  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -7.901   1.752   1.494  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 4