REMARK  Name = BDB026454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.637  -2.942   1.104  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.695  -1.841   0.995  0.00  0.00    +0.049 C 
ATOM      3  N   LIG    1        1.091  -0.502   0.905  0.00  0.00    -0.276 N 
ATOM      4  C   LIG    1        1.782   0.272  -0.039  0.00  0.00    +0.306 C 
ATOM      5  O   LIG    1        1.747   1.481  -0.179  0.00  0.00    -0.252 OA
ATOM      6  N   LIG    1        2.562  -0.593  -0.794  0.00  0.00    -0.278 N 
ATOM      7  C   LIG    1        2.467  -1.958  -0.337  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        2.684  -1.925   2.170  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        0.349   0.110   2.008  0.00  0.00    +0.142 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -0.991   0.777   1.629  0.00  0.00    +0.146 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -0.795   2.129   1.205  0.00  0.00    -0.389 OA
ATOM     12  H   LIG    1       -1.531   2.317   0.588  0.00  0.00    +0.210 HD
ENDBRANCH  10  11
BRANCH  10  13
ATOM     13  C   LIG    1       -1.790   0.002   0.556  0.00  0.00    +0.117 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -3.029   0.718   0.166  0.00  0.00    -0.295 NA
ATOM     15  C   LIG    1       -3.530   0.173  -1.115  0.00  0.00    +0.120 C 
ATOM     16  C   LIG    1       -4.880   0.719  -1.529  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -5.741   1.308  -0.588  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -6.998   1.778  -0.990  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -7.410   1.642  -2.315  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.567   1.042  -3.248  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.282   1.490   0.836  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -5.310   0.580  -2.858  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.083   0.599   1.188  0.00  0.00    +0.089 C 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   6  24
ATOM     24  C   LIG    1        3.510  -0.162  -1.801  0.00  0.00    +0.164 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.899   0.025  -1.230  0.00  0.00    +0.059 A 
ATOM     26  N   LIG    1        5.796  -0.980  -1.415  0.00  0.00    -0.257 NA
ATOM     27  C   LIG    1        7.030  -0.820  -0.877  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        7.419   0.294  -0.148  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        6.486   1.310   0.042  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        5.209   1.175  -0.503  0.00  0.00    +0.026 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.738   0.383   0.391  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        9.811   0.449   0.828  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 8