REMARK  Name = BDB047098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.494   1.023  -0.160  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        2.097  -0.386  -0.321  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1        0.847  -0.538  -1.187  0.00  0.00    +0.020 C 
ATOM      4  C   LIG    1       -0.377   0.147  -0.546  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        0.060   1.306   0.370  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1        1.352   1.949  -0.127  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.376   1.211   1.004  0.00  0.00    +0.119 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.153  -0.878   0.678  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        6.795   0.083  -0.273  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.575   0.754  -0.166  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.695   0.473   0.889  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        5.060  -0.491   1.841  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        6.282  -1.163   1.736  0.00  0.00    +0.015 A 
BRANCH   8  15
ATOM     14  O   LIG    1        9.270  -1.373  -0.360  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        8.458  -1.566   0.526  0.00  0.00    +0.337 C 
BRANCH  15  16
ATOM     16  O   LIG    1        8.690  -2.469   1.497  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        9.570  -2.833   1.268  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.243  -0.878   0.214  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.459  -0.304   0.800  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1       -2.839  -0.975   1.469  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.493   0.008  -0.203  0.00  0.00    +0.062 C 
ATOM     22  C   LIG    1       -4.725   0.774   0.243  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.694   1.425  -0.645  0.00  0.00    +0.029 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -6.082   0.407  -0.310  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -6.889   1.358  -0.956  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -8.151   1.024  -1.457  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.635  -0.273  -1.314  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.861  -1.231  -0.667  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.600  -0.891  -0.169  0.00  0.00    +0.004 A 
ENDBRANCH  22  24
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 8