REMARK  Name = BDB023260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.263  -0.261  -1.047  0.00  0.00    -0.178 N 
ATOM      2  H   LIG    1       -0.435  -0.642  -1.501  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.047   0.696  -0.046  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.951   1.341   0.462  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.345   0.798   0.328  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.273   0.018  -0.319  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.490   0.312   0.219  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.360   1.273   1.209  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.522   1.685   1.871  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.758   1.132   1.520  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.865   0.170   0.505  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.464   2.604   2.844  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.703  -0.263  -0.160  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.977   1.583   1.274  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.121  -0.385   0.174  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.413   0.213   0.365  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.954  -0.855  -0.591  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.507  -0.978  -1.077  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.573  -0.200  -2.061  0.00  0.00    +0.093 S 
ATOM     20  O   LIG    1       -2.613  -1.485  -2.725  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -2.454   1.021  -2.822  0.00  0.00    -0.148 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -5.124   0.739  -1.113  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1       -4.049  -0.133  -1.137  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.367  -1.089  -0.186  0.00  0.00    -0.283 N 
ATOM     25  C   LIG    1       -5.588  -0.716   0.372  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1       -6.126  -1.535   1.405  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -5.463  -2.636   1.803  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.202  -3.017   1.194  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -3.685  -2.244   0.224  0.00  0.00    +0.094 A 
ATOM     30  N   LIG    1       -6.061   0.374  -0.182  0.00  0.00    -0.220 NA
BRANCH  22  32
ATOM     31  C   LIG    1       -6.888   2.822  -1.410  0.00  0.00    +0.091 C 
ATOM     32  S   LIG    1       -5.364   2.156  -2.112  0.00  0.00    -0.106 S 
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5