REMARK  Name = BDB060598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.384  -1.676   0.277  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -0.986  -2.207  -1.107  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.463  -1.760  -1.214  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1        0.939  -1.918   0.224  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1       -0.179  -1.552   1.064  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.832   1.584  -0.597  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1       -3.579   1.132  -0.151  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -2.498   1.778   0.411  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.609   0.828   0.626  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -2.064  -0.396   0.220  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -3.332  -0.225  -0.269  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1       -4.152  -1.167  -0.764  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1       -5.326  -0.619  -1.144  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -5.709   0.675  -1.083  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.224   2.915  -0.546  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -4.687   3.466   0.115  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -6.230   3.019  -0.538  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.019  -3.649  -1.157  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.960  -3.909  -1.151  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.203  -2.560  -2.128  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.787  -3.448  -2.092  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.201  -1.121   0.614  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.058   0.334   0.386  0.00  0.00    -0.292 NA
ATOM     24  C   LIG    1        3.099   1.119   1.044  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        2.645   2.473   1.559  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        3.619   2.303   2.681  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1        4.526   2.728   2.487  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        3.594   0.829   2.433  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1        4.002   1.092  -0.151  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1        2.715   0.704  -0.918  0.00  0.00    +0.087 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6