REMARK  Name = BDB003192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.797  -1.557  -0.210  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1       -0.894  -0.526  -1.123  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.474   0.355  -0.847  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.542  -2.534  -0.232  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        0.429  -2.574   1.748  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.368  -1.399   0.780  0.00  0.00    +0.129 C 
BRANCH   6   7
ATOM      7  S   LIG    1        0.158   0.192   1.690  0.00  0.00    -0.144 S 
BRANCH   7   8
ATOM      8  C   LIG    1        1.810   0.381   2.432  0.00  0.00    +0.105 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.916   0.516   1.416  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1        2.993   1.644   0.585  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.016   1.763  -0.357  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.974   0.759  -0.477  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.913  -0.363   0.346  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.892  -0.485   1.290  0.00  0.00    +0.004 A 
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1       -2.018  -0.430  -2.031  0.00  0.00    +0.159 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.150   0.370  -1.429  0.00  0.00    +0.058 A 
ATOM     17  N   LIG    1       -3.144   1.712  -1.643  0.00  0.00    -0.258 NA
ATOM     18  C   LIG    1       -4.134   2.433  -1.073  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -5.134   1.887  -0.287  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -5.119   0.515  -0.066  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.113  -0.257  -0.640  0.00  0.00    +0.025 A 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 6