REMARK  Name = BDB028294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.853  -0.271  -0.404  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.487   0.245  -0.131  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.341   1.622  -0.013  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.086   2.183   0.238  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.970   1.354   0.378  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.090  -0.043   0.276  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.526   2.486  -0.141  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.440   3.705  -0.050  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.720   1.845  -0.364  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.550   2.423  -0.454  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.365  -0.584   0.019  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.896   0.502  -0.500  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.083  -0.916   0.436  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.265  -0.700  -0.282  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        2.353  -1.556  -0.096  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        2.242  -2.617   0.780  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        1.122  -2.855   1.498  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        0.079  -2.006   1.311  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  S   LIG    1        3.850  -1.306  -0.986  0.00  0.00    +0.027 S 
ATOM     20  O   LIG    1        4.725  -2.431  -0.717  0.00  0.00    -0.164 OA
ATOM     21  O   LIG    1        3.471  -0.978  -2.348  0.00  0.00    -0.164 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.619   0.129  -0.271  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1        5.235   0.019   0.980  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        5.834   1.142   1.548  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.822   2.361   0.866  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.218   2.460  -0.388  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.616   1.342  -0.965  0.00  0.00    +0.027 A 
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  28
ATOM     28  C   LIG    1       -5.080  -1.770  -0.576  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.049  -2.416   0.739  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.795  -2.011   1.309  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.303  -3.398   0.627  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 5