REMARK  Name = BDB034844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.776  -1.778  -0.883  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.926  -2.573  -0.128  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1        0.349  -2.648   0.016  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1       -1.866  -3.747   0.827  0.00  0.00    -0.091 S 
ATOM      5  C   LIG    1       -3.400  -2.820   0.563  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -3.196  -2.135  -0.781  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.409   0.493   0.061  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -1.579  -0.382  -1.036  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1       -1.555   0.142  -2.339  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.343   1.501  -2.559  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.163   2.356  -1.476  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.200   1.857  -0.172  0.00  0.00    +0.047 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -1.112   0.727   2.415  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -1.500  -0.074   1.307  0.00  0.00    -0.493 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.098  -1.818  -0.769  0.00  0.00    +0.271 C 
ATOM     16  O   LIG    1        1.131  -1.854  -1.994  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        1.904  -0.886   0.019  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.579   0.285  -0.456  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.201   0.876   0.638  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        3.934   2.005   0.658  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.044   2.579  -0.561  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.478   2.104  -1.737  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.946   0.106   1.736  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.301   0.314   2.658  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.724   0.931  -1.697  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.154  -0.954   1.386  0.00  0.00    +0.098 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4