REMARK  Name = BDB028577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.733   2.500   0.407  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1        0.284   1.629  -0.328  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -1.012   1.607  -0.808  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -1.946   2.651  -0.418  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -3.317   2.068  -0.092  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.899   1.220  -1.240  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -2.847   0.892  -2.315  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -1.490   0.559  -1.704  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.522  -0.062  -0.678  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -5.627   0.085   0.135  0.00  0.00    -0.291 N 
ATOM     11  C   LIG    1       -6.352  -1.081   0.626  0.00  0.00    +0.102 C 
ATOM     12  C   LIG    1       -7.318  -1.541  -0.494  0.00  0.00    +0.182 C 
ATOM     13  O   LIG    1       -8.264  -0.500  -0.834  0.00  0.00    -0.376 OA
ATOM     14  C   LIG    1       -7.614   0.764  -1.082  0.00  0.00    +0.182 C 
ATOM     15  C   LIG    1       -7.134  -0.483   1.803  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -7.324   0.998   1.425  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -6.635   1.137   0.061  0.00  0.00    +0.102 C 
ATOM     18  O   LIG    1       -4.038  -1.170  -0.905  0.00  0.00    -0.275 OA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  O   LIG    1        1.006   0.554  -0.749  0.00  0.00    -0.448 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.374   0.502  -0.292  0.00  0.00    +0.266 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.424  -0.093   1.120  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.906  -1.433   1.112  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1        1.090  -1.404   0.579  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.839  -0.055   1.740  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.955  -0.472   0.862  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        6.240  -0.125   1.509  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.459  -0.640   0.774  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.356  -1.712  -0.128  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.503  -2.194  -0.773  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.751  -1.633  -0.503  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.860  -0.583   0.405  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.004  -2.294  -0.448  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        8.721  -0.090   1.043  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.931  -1.919   0.585  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7