REMARK  Name = BDB026450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.917  -0.234  -0.862  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.824  -1.015  -1.243  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.778  -2.234  -1.265  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.781  -0.150  -1.552  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.182   1.232  -1.418  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.494   1.135  -0.649  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.047  -0.835  -0.177  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.474   1.705   0.058  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.038   1.129  -1.124  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        5.955   0.321  -1.213  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1        5.263   0.059  -0.073  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        5.635   0.603   1.156  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        6.754   1.434   1.220  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.556   3.241   0.092  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.624   2.550   0.074  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.520  -0.562  -2.051  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.662  -0.474  -1.014  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.928   0.910  -0.749  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.863   0.965  -0.485  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.321  -1.249   0.282  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.360  -1.527   1.284  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.001  -0.375   1.911  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.300   0.062   1.269  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.025  -0.799   0.427  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.229  -0.362  -0.142  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.721   0.912   0.137  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.015   1.760   0.986  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.495  -2.170   0.090  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.813   1.337   1.552  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.308  -2.591   0.965  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8