REMARK  Name = BDB033733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.617  -2.006   2.002  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.236  -2.804   2.092  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        2.725   0.775  -0.311  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1        2.845   0.933   1.159  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        2.340  -0.300   1.904  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        1.101  -0.876   1.216  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        1.420  -1.294  -0.230  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        2.673  -0.620  -0.782  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        3.606   1.878  -1.256  0.00  0.00    +0.064 S 
ATOM     10  O   LIG    1        3.249   1.685  -2.644  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        3.548   3.175  -0.618  0.00  0.00    -0.153 OA
BRANCH   9  16
ATOM     12  C   LIG    1        8.666   1.307  -0.039  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        7.365   1.200  -0.654  0.00  0.00    -0.273 N 
ATOM     14  N   LIG    1        7.201   0.392  -1.720  0.00  0.00    -0.178 NA
ATOM     15  C   LIG    1        5.918   0.568  -2.058  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        5.261   1.442  -1.181  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        6.221   1.838  -0.275  0.00  0.00    +0.136 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.643  -2.494   1.709  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -1.586  -1.690   1.208  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -2.793  -2.236   0.952  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -3.090  -3.559   1.177  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -2.053  -4.303   1.685  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -0.830  -3.797   1.951  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.360  -4.139   0.910  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -5.380  -4.653   0.705  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -3.790  -1.435   0.429  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.399  -0.073   0.226  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.587   0.717  -0.354  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -5.019   0.177  -1.727  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -5.730   1.344  -2.408  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -5.189   2.615  -1.753  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -4.183   2.158  -0.700  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -5.768   0.696   0.635  0.00  0.00    +0.014 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8