REMARK  Name = BDB034836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.212  -0.466   0.166  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.141   0.007  -0.607  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.843  -0.079  -0.074  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.595  -0.618   1.189  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        0.736  -0.633   1.573  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1        1.476  -0.117   0.622  0.00  0.00    +0.165 A 
ATOM      7  C   LIG    1       -1.682  -1.091   1.949  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1        0.653   0.409  -0.768  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1       -2.980  -1.011   1.431  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -5.402  -2.877  -0.347  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1       -5.527  -1.418  -0.571  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1       -4.563  -0.399  -0.351  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.208   0.758  -0.729  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1       -4.849   2.189  -0.761  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1       -6.464   0.451  -1.152  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1       -6.670  -0.911  -1.050  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        2.836  -0.025   0.778  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        3.145  -0.392   1.668  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        3.753   0.489  -0.115  0.00  0.00    +0.225 C 
ATOM     20  O   LIG    1        3.485   0.962  -1.220  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.203   0.423   0.408  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1        6.047   1.717   0.321  0.00  0.00    +0.130 C 
ATOM     23  N   LIG    1        7.232   0.889  -0.081  0.00  0.00    -0.268 N 
ATOM     24  C   LIG    1        6.272  -0.167  -0.544  0.00  0.00    +0.130 C 
BRANCH  23  25
ATOM     25  C   LIG    1        8.264   1.344  -0.803  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        9.151   1.739  -1.433  0.00  0.00    -0.174 NA
ENDBRANCH  23  25
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 4