REMARK  Name = BDB060597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.927   1.846  -1.349  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        2.544   0.860  -2.345  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.393  -0.092  -2.623  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1        0.194   0.856  -2.568  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1        0.495   1.861  -1.585  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        2.791  -0.207   2.985  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        2.449   0.805   2.071  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        2.018   2.101   2.249  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        1.841   2.562   1.030  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1        2.119   1.617   0.068  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1        2.521   0.484   0.722  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1        2.892  -0.696   0.200  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1        3.187  -1.588   1.167  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        3.147  -1.418   2.505  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1        2.754  -0.030   4.361  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        2.176   0.749   4.656  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        2.659  -0.904   4.860  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        2.889   1.542  -3.571  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        2.820   0.851  -4.264  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.553  -0.719  -3.897  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.909  -1.450  -3.926  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.161   0.161  -2.305  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -1.121  -0.785  -1.168  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1       -1.841  -0.358   0.078  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.775   1.142   0.441  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -2.374   1.443   1.814  0.00  0.00    +0.082 C 
ATOM     27  N   LIG    1       -1.689   0.700   2.869  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1       -0.702   0.974   2.872  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -1.785  -0.737   2.632  0.00  0.00    +0.082 C 
ATOM     30  C   LIG    1       -1.225  -1.149   1.270  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1       -3.292  -0.793  -0.203  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -3.195  -1.989  -1.140  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -1.732  -2.078  -1.533  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6