REMARK  Name = BDB056054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168  -4.024  -0.465  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.688  -1.036   0.884  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -3.094  -2.115   0.083  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.178  -3.079  -0.349  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.826  -2.990   0.006  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -0.415  -1.921   0.812  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.333  -0.958   1.242  0.00  0.00    +0.009 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -4.335   2.319   1.533  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.419   1.349   1.105  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -3.652  -0.018   1.333  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.832  -0.384   2.002  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.749   0.579   2.431  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.501   1.930   2.197  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1       -3.865   4.833   1.100  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -4.076   3.708   1.291  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        0.452  -4.000  -2.254  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.295  -2.496  -2.446  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1        1.988  -1.872  -1.442  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1        2.458  -0.750  -2.074  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1        2.108  -0.700  -3.342  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1        1.362  -1.836  -3.584  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1        3.237   0.191  -1.278  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        3.662   1.397  -1.861  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        4.393   2.277  -1.089  0.00  0.00    +0.167 A 
ATOM     25  O   LIG    1        4.875   3.480  -1.499  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1        5.531   3.935  -0.297  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1        5.433   2.999   0.798  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        4.711   2.003   0.219  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1        4.317   0.834   0.830  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        3.574  -0.078   0.071  0.00  0.00    +0.017 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6