REMARK  Name = BDB004027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850   0.488  -0.078  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.477   0.375  -0.246  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.189   1.483  -0.518  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.580   2.714  -0.643  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.779   2.741  -0.462  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.506   1.650  -0.178  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.502  -0.706   0.216  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.811  -1.440   0.268  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        5.213  -0.575   0.710  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        3.899  -0.153   0.447  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        2.832  -1.058   0.470  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.119  -2.403   0.762  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        4.423  -2.833   1.025  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        5.470  -1.918   0.999  0.00  0.00    +0.015 A 
BRANCH   9  16
ATOM     15  O   LIG    1        7.522   0.071   0.909  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        6.360   0.365   0.692  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        6.007   1.629   0.403  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        6.853   2.122   0.427  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.590   1.422  -0.716  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -3.043   2.168  -0.177  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.419   0.272  -0.797  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.760   0.292  -0.344  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1       -5.575  -0.846  -0.485  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -5.079  -2.001  -1.087  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.772  -2.026  -1.558  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.956  -0.899  -1.421  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.307   1.517   0.300  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -4.683   2.543   0.514  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.602   1.410   0.648  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.819   2.275   1.054  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8