REMARK  Name = BDB003089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.978  -1.523   0.172  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        1.219  -0.482  -0.463  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        1.444  -0.073  -1.796  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.668   0.955  -2.365  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -0.345   1.573  -1.636  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.607   1.138  -0.341  0.00  0.00    +0.039 A 
ATOM      7  S   LIG    1        2.648  -0.922  -2.853  0.00  0.00    +0.022 S 
ATOM      8  O   LIG    1        2.652  -0.140  -4.319  0.00  0.00    -0.152 OA
ATOM      9  C   LIG    1        4.017  -0.263  -1.898  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        4.217  -0.700  -0.589  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        5.304  -0.220   0.157  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        6.172   0.720  -0.398  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.968   1.168  -1.702  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.898   0.675  -2.452  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.173   0.134   0.245  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        3.361  -1.732   0.032  0.00  0.00    +0.252 C 
ATOM     17  O   LIG    1        3.941  -2.715   0.494  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   6  18
ATOM     18  C   LIG    1       -1.660   1.778   0.471  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -2.987   1.703   0.044  0.00  0.00    -0.298 N 
ATOM     20  C   LIG    1       -4.003   2.322   0.889  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1       -4.505   1.406   2.002  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -5.074   0.070   1.514  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.997  -0.889   1.009  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.554  -0.688  -0.442  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -3.482   0.751  -0.947  0.00  0.00    +0.108 C 
ATOM     26  O   LIG    1       -1.304   2.336   1.506  0.00  0.00    -0.270 OA
ENDBRANCH   6  18
BRANCH   1  28
ATOM     27  C   LIG    1        1.557  -2.166   2.549  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        1.278  -2.447   1.077  0.00  0.00    +0.110 C 
ENDBRANCH   1  28
TORSDOF 2