REMARK  Name = BDB041514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.942   2.240  -0.095  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.192   1.426   0.095  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.094   0.414   0.056  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.885   3.406  -0.452  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.523   1.484  -0.271  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -4.718   0.400   0.579  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.596  -0.105   1.248  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.349   0.484   1.056  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -2.256   1.568   0.190  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -3.328   2.072  -0.472  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -5.337   3.092  -1.772  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1       -5.628   1.968  -0.943  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -6.065  -0.244   0.750  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.216  -1.385  -0.141  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.823  -2.614   0.262  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.125  -3.397  -0.777  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.708  -2.681  -1.838  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.758  -1.381  -1.395  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.743   1.956  -0.250  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1        2.067   2.944   0.756  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.829   2.215  -1.671  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.738   0.521   0.036  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1        4.014   0.648   0.559  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1        4.659   1.826   0.838  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1        5.783   1.432   1.657  0.00  0.00    +0.240 C 
ATOM     26  C   LIG    1        6.154  -0.020   1.302  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1        7.185  -0.069   0.167  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        6.661  -0.785   2.523  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        4.813  -0.467   0.809  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.352  -1.749   0.553  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        3.070  -1.897   0.022  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        2.278  -0.768  -0.259  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1        1.018  -0.971  -0.766  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        1.091  -1.299  -2.160  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7