REMARK  Name = BDB007671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.153   0.104   1.654  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.025  -0.890   2.038  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.757  -1.863   1.972  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.476   1.284   1.575  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.836  -1.029   0.521  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.234   0.108  -0.017  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.936   0.464   0.368  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.224  -0.321   1.282  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.828  -1.457   1.829  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.126  -1.807   1.441  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -5.089  -1.493   0.240  0.00  0.00    -0.487 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -8.334   2.739   0.837  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -8.781   1.677  -0.133  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -7.906   0.638  -0.346  0.00  0.00    -0.298 N 
ATOM     15  C   LIG    1       -6.577   0.478   0.224  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1       -5.949  -0.685  -0.555  0.00  0.00    +0.192 C 
ATOM     17  C   LIG    1       -7.182  -1.511  -0.936  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1       -8.227  -0.454  -1.245  0.00  0.00    +0.111 C 
ATOM     19  O   LIG    1       -9.868   1.751  -0.703  0.00  0.00    -0.276 OA
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1        2.405  -0.608   2.409  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.389  -0.706   1.228  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.188  -1.976   0.586  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.350  -1.899   0.096  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.242   0.471   0.225  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.326   0.654  -0.757  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.540   1.238  -0.166  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.838   0.898  -0.866  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.994  -0.373  -1.443  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.220  -0.750  -1.997  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.289   0.146  -1.992  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.139   1.412  -1.427  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.804  -1.294  -1.431  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.920   1.785  -0.857  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.535  -0.469  -1.676  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8