REMARK  Name = BDB023397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.090   0.461  -0.164  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1       -0.734   1.251   0.590  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1       -2.000   1.067   0.133  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -2.032   0.132  -0.900  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -3.290  -0.161  -1.483  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -4.424   0.535  -0.992  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -4.362   1.469   0.059  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1       -3.112   1.740   0.632  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.665  -0.228  -1.094  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   5  10
ATOM     10  N   LIG    1       -3.458  -1.112  -2.529  0.00  0.00    -0.305 N 
ATOM     11  C   LIG    1       -4.528  -1.210  -3.397  0.00  0.00    +0.204 A 
ATOM     12  N   LIG    1       -4.395  -2.191  -4.263  0.00  0.00    -0.244 NA
ATOM     13  C   LIG    1       -3.205  -2.777  -3.949  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1       -2.613  -2.139  -2.886  0.00  0.00    +0.112 A 
ENDBRANCH   5  10
BRANCH   1  17
ATOM     15  N   LIG    1        1.862   1.354   1.109  0.00  0.00    -0.179 N 
ATOM     16  H   LIG    1        1.143   1.890   1.585  0.00  0.00    +0.177 HD
ATOM     17  C   LIG    1        1.513   0.465   0.092  0.00  0.00    +0.298 C 
ATOM     18  O   LIG    1        2.313  -0.249  -0.494  0.00  0.00    -0.265 OA
BRANCH  15  19
ATOM     19  S   LIG    1        3.412   1.722   1.558  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        3.267   2.622   2.687  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.122   2.147   0.375  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        5.026  -0.550   1.587  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        4.013   0.185   2.205  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        3.427  -0.283   3.394  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1        3.849  -1.485   3.959  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.866  -2.216   3.349  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.457  -1.746   2.175  0.00  0.00    +0.047 A 
BRANCH  22  28
ATOM     28  O   LIG    1        5.644  -0.069   0.470  0.00  0.00    -0.490 OA
BRANCH  28  30
ATOM     29  C   LIG    1        5.819  -0.215  -1.905  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        5.682  -1.002  -0.615  0.00  0.00    +0.226 C 
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  23
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   7  31
ATOM     31  C   LIG    1       -5.603   2.183   0.541  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -5.977   2.142   2.005  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -6.805   1.393   1.005  0.00  0.00    +0.009 C 
ENDBRANCH   7  31
TORSDOF 7