REMARK  Name = BDB034898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.356   0.955   0.310  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1       -0.256  -0.180   0.416  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -1.068  -0.772  -0.545  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1       -1.597  -1.999  -0.167  0.00  0.00    +0.101 A 
ATOM      5  C   LIG    1       -1.235  -2.440   1.047  0.00  0.00    +0.034 A 
ATOM      6  S   LIG    1       -0.167  -1.289   1.828  0.00  0.00    -0.055 S 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.564   1.965   2.342  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.077   1.393   1.386  0.00  0.00    +0.270 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.550   1.175   1.374  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.292   0.886   0.239  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.969   0.759  -1.178  0.00  0.00    +0.006 C 
ATOM     12  C   LIG    1        4.096   0.469  -1.846  0.00  0.00    -0.020 C 
ATOM     13  C   LIG    1        5.297   0.379  -0.939  0.00  0.00    +0.083 C 
ATOM     14  C   LIG    1        4.665   0.679   0.396  0.00  0.00    +0.053 A 
ATOM     15  N   LIG    1        5.347   0.741   1.556  0.00  0.00    -0.259 NA
ATOM     16  C   LIG    1        4.601   1.039   2.640  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        3.228   1.261   2.601  0.00  0.00    +0.033 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.420  -0.085  -1.780  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.795   0.539  -1.690  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -3.005   1.688  -0.914  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.274   2.260  -0.822  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.348   1.690  -1.503  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.154   0.547  -2.276  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.885  -0.028  -2.369  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   5  25
ATOM     25  C   LIG    1       -1.662  -3.700   1.718  0.00  0.00    +0.199 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -0.534  -4.530   1.966  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        0.135  -3.968   2.396  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6