REMARK  Name = BDB002212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.493  -0.151  -1.105  0.00  0.00    +0.172 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.454   1.175  -0.351  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1        0.251   2.282  -0.855  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.300   3.478  -0.138  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.352   3.584   1.088  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.056   2.497   1.600  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.107   1.298   0.887  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1        1.770  -0.607  -0.233  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        1.430  -0.015   0.514  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        0.911  -0.784  -1.317  0.00  0.00    +0.235 C 
ATOM     11  O   LIG    1        1.183  -1.440  -2.321  0.00  0.00    -0.274 OA
BRANCH   8  15
ATOM     12  C   LIG    1        5.688  -3.243  -1.844  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        5.032  -2.380  -0.806  0.00  0.00    -0.049 A 
ATOM     14  C   LIG    1        3.722  -1.914  -1.002  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.094  -1.082  -0.067  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        3.805  -0.702   1.093  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1        3.213   0.194   2.149  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        5.122  -1.159   1.276  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.731  -1.986   0.334  0.00  0.00    +0.004 A 
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  20
ATOM     20  S   LIG    1       -1.361   0.028  -2.711  0.00  0.00    -0.048 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.001   0.223  -2.185  0.00  0.00    +0.279 A 
ATOM     22  O   LIG    1       -3.444  -0.086  -0.928  0.00  0.00    -0.410 OA
ATOM     23  C   LIG    1       -4.778   0.241  -0.991  0.00  0.00    +0.256 A 
ATOM     24  N   LIG    1       -5.114   0.688  -2.187  0.00  0.00    -0.106 NA
ATOM     25  N   LIG    1       -3.968   0.672  -2.956  0.00  0.00    -0.101 NA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.693   0.116   0.106  0.00  0.00    +0.076 A 
ATOM     27  S   LIG    1       -5.181  -0.441   1.645  0.00  0.00    -0.092 S 
ATOM     28  C   LIG    1       -6.755  -0.295   2.297  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -7.658   0.170   1.367  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -7.044   0.408   0.103  0.00  0.00    +0.021 A 
ENDBRANCH  23  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6