REMARK  Name = BDB006940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102   1.115  -0.320  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.999   0.333   0.391  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.341   0.092   0.035  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.944  -0.741   0.968  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        4.261  -1.091   0.785  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.986  -0.656  -0.267  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        4.380   0.165  -1.172  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        2.009  -1.109   2.086  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        2.455  -0.464   3.404  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.874  -2.625   2.251  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        3.052   0.565  -1.053  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.683  -0.480   1.583  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.377   1.715  -1.363  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        5.214   0.612  -2.296  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        6.532   0.206  -2.421  0.00  0.00    +0.055 A 
ATOM     16  S   LIG    1        7.308   0.849  -3.804  0.00  0.00    -0.104 S 
ATOM     17  C   LIG    1        5.896   1.687  -4.268  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.858   1.478  -3.386  0.00  0.00    +0.017 A 
ENDBRANCH   7  14
BRANCH   1  19
ATOM     19  C   LIG    1       -1.319   1.241   0.256  0.00  0.00    +0.181 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.477   0.094   0.698  0.00  0.00    +0.097 C 
ATOM     21  N   LIG    1       -2.090  -0.020   0.143  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -2.209  -0.469  -1.270  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.135   0.409  -2.155  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1       -3.246  -0.183  -3.558  0.00  0.00    +0.025 C 
ATOM     25  N   LIG    1       -4.487   0.522  -1.582  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -5.039   1.185  -2.125  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.435   0.957  -0.177  0.00  0.00    +0.102 C 
BRANCH  20  28
ATOM     28  C   LIG    1       -3.521   0.561   2.174  0.00  0.00    +0.179 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.225  -0.803   3.132  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -4.831   0.508   2.746  0.00  0.00    -0.381 OA
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5