REMARK  Name = BDB058636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.008   1.155   2.255  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1       -0.557   1.958   2.667  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        0.327   0.853   1.684  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -0.564  -0.054   1.113  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -0.057  -1.042   0.252  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        1.321  -1.097   0.002  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        2.222  -0.213   0.607  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        1.712   0.799   1.433  0.00  0.00    +0.040 A 
ATOM      9  N   LIG    1       -1.895   0.123   1.455  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        3.570  -0.299   0.248  0.00  0.00    -0.340 N 
ATOM     11  H   LIG    1        3.839  -1.236  -0.045  0.00  0.00    +0.146 HD
BRANCH  10  12
ATOM     12  C   LIG    1        4.591   0.334   1.073  0.00  0.00    +0.137 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.957  -0.059   0.561  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        6.416   0.428  -0.674  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        7.678   0.070  -1.176  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        8.499  -0.800  -0.425  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        9.761  -1.158  -0.926  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       10.206  -0.665  -2.154  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.397   0.190  -2.895  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        8.035  -1.289   0.806  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        8.140   0.556  -2.410  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        6.776  -0.925   1.293  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  23
ATOM     23  S   LIG    1       -3.564   1.662   2.879  0.00  0.00    -0.084 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.703   0.809   1.701  0.00  0.00    +0.161 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.091   0.742   2.348  0.00  0.00    +0.318 C 
ATOM     26  O   LIG    1       -7.150   0.909   1.761  0.00  0.00    -0.250 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -6.070   0.399   3.662  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -5.158   0.353   4.012  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
BRANCH  24  29
ATOM     29  C   LIG    1       -4.717   1.543   0.344  0.00  0.00    +0.026 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.682   0.587  -0.861  0.00  0.00    +0.002 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.938  -0.261  -1.077  0.00  0.00    +0.000 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -7.130   0.560  -1.578  0.00  0.00    -0.000 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -8.980  -0.976  -0.722  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -8.348  -0.299  -1.928  0.00  0.00    -0.003 C 
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 12