REMARK  Name = BDB023309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.701  -1.172   0.535  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.695  -0.166   0.406  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.509  -1.862   0.702  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.564  -3.006   1.125  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.669  -1.073   0.326  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -2.909  -1.628   0.530  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.841  -0.731   0.115  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.224   0.412  -0.363  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.044   1.443  -0.837  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.435   1.296  -0.811  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -6.036   0.131  -0.311  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.507   2.573  -1.318  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -5.223  -0.917   0.156  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.829   0.188  -0.229  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -7.442  -0.003  -0.306  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -8.230  -0.856   0.539  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -9.442  -0.027   0.100  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -8.417   1.051  -0.268  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.131  -1.758   1.152  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.061  -1.744   2.596  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.499  -2.938   0.400  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        2.993   0.860   0.914  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        3.295  -0.487   0.712  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1        4.530  -0.862   0.162  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        5.477   0.109  -0.205  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1        5.144   1.462  -0.012  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.912   1.836   0.535  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.774  -0.275  -0.779  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.612  -1.205  -0.160  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.819  -1.598  -0.634  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.223  -1.043  -1.794  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.479  -0.112  -2.497  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.243   0.274  -1.980  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
BRANCH  22  35
ATOM     34  C   LIG    1        1.877   1.777   2.712  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        1.764   1.235   1.391  0.00  0.00    -0.493 OA
ENDBRANCH  22  35
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6