REMARK  Name = BDB022099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024   0.168   0.600  0.00  0.00    +0.233 C 
ATOM      2  N   LIG    1       -1.101   0.879   1.008  0.00  0.00    -0.300 N 
ATOM      3  C   LIG    1       -1.398   0.978   2.435  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1       -2.882   0.752   2.695  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -3.758   1.780   1.956  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1       -3.027   2.433   0.770  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -2.066   1.471   0.080  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.805  -0.347   1.407  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.048   1.136   1.508  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1       -6.478   1.322   2.440  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -7.343   0.353   1.310  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.471  -0.047   0.296  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -6.969  -0.856  -0.746  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -8.314  -1.240  -0.747  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -9.165  -0.829   0.275  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -8.696  -0.026   1.319  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1       -5.168   0.405   0.421  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.226  -0.030  -0.912  0.00  0.00    +0.200 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.574   0.223  -1.600  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1        1.548  -0.588  -1.159  0.00  0.00    -0.303 N 
ATOM     21  H   LIG    1        1.804  -1.344  -0.535  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1        2.408   1.376  -1.982  0.00  0.00    -0.270 OA
BRANCH  19  26
ATOM     23  C   LIG    1        6.568  -1.377  -1.514  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        6.346  -0.001  -1.466  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.040   0.503  -1.497  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        3.943  -0.364  -1.565  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.164  -1.744  -1.622  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.471  -2.241  -1.591  0.00  0.00    +0.046 A 
BRANCH  23  29
ATOM     29  O   LIG    1        7.780  -2.006  -1.488  0.00  0.00    -0.492 OA
BRANCH  29  31
ATOM     30  C   LIG    1        9.410  -0.830  -0.130  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        8.968  -1.217  -1.531  0.00  0.00    +0.225 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6