REMARK  Name = BDB015371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.689  -2.162   1.889  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.135  -2.141   0.593  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.692  -2.958  -0.244  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -1.796  -3.629   0.478  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.637  -3.290   1.955  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.923  -1.319   0.319  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        2.028  -1.153   1.285  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.385  -1.548   0.664  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.765  -0.775  -0.541  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1        2.560  -0.267  -1.239  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.337  -1.193  -1.095  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.697   0.309  -0.210  0.00  0.00    +0.088 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.272   0.912  -1.458  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        6.053   2.204  -1.369  0.00  0.00    -0.009 C 
ATOM     15  C   LIG    1        7.297   2.383  -2.170  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1        4.710   2.185  -2.049  0.00  0.00    +0.008 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     17  S   LIG    1       -1.141  -0.786   2.765  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -0.065   0.181   2.810  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -1.752  -1.236   4.003  0.00  0.00    -0.150 OA
BRANCH  17  23
ATOM     20  C   LIG    1       -4.451   1.044   0.175  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1       -3.098   1.244  -0.142  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.091   0.687   0.648  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -2.433  -0.089   1.757  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1       -3.772  -0.282   2.102  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -4.775   0.279   1.309  0.00  0.00    +0.006 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.420   0.593  -1.335  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.528   1.662  -0.701  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -6.365   2.684   0.073  0.00  0.00    +0.012 C 
ENDBRANCH  20  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 6