REMARK  Name = BDB002769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.082  -1.363   0.606  0.00  0.00    +0.243 A 
ATOM      2  N   LIG    1       -1.161  -2.140   0.670  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.312  -1.614   0.275  0.00  0.00    +0.224 A 
ATOM      4  N   LIG    1       -2.417  -0.371  -0.177  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1       -1.308   0.355  -0.234  0.00  0.00    +0.224 A 
ATOM      6  N   LIG    1       -0.129  -0.117   0.137  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.455  -2.385   0.359  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -3.340  -3.843   0.444  0.00  0.00    +0.136 C 
ATOM      9  C   LIG    1       -4.225  -4.503  -0.627  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -5.614  -4.147  -0.538  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -5.837  -2.840   0.012  0.00  0.00    +0.179 C 
ATOM     12  C   LIG    1       -4.682  -1.858  -0.240  0.00  0.00    +0.136 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -1.395   1.680  -0.676  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1       -0.108   2.268  -1.079  0.00  0.00    +0.136 C 
ATOM     15  C   LIG    1       -0.297   3.746  -1.451  0.00  0.00    +0.179 C 
ATOM     16  O   LIG    1       -1.306   3.910  -2.460  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -2.565   3.418  -1.974  0.00  0.00    +0.179 C 
ATOM     18  C   LIG    1       -2.491   1.923  -1.626  0.00  0.00    +0.136 C 
ENDBRANCH   5  13
BRANCH   1  20
ATOM     19  C   LIG    1        1.037  -2.939   2.013  0.00  0.00    +0.161 C 
ATOM     20  N   LIG    1        1.186  -1.903   0.994  0.00  0.00    -0.194 N 
BRANCH  20  21
ATOM     21  N   LIG    1        2.220  -1.020   1.240  0.00  0.00    -0.185 NA
ATOM     22  C   LIG    1        2.769  -0.544   0.166  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.858   0.449   0.217  0.00  0.00    -0.002 A 
ATOM     24  C   LIG    1        4.327   0.932   1.444  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        5.340   1.865   1.411  0.00  0.00    +0.167 A 
ATOM     26  O   LIG    1        5.921   2.446   2.495  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        6.886   3.309   1.859  0.00  0.00    +0.466 C 
ATOM     28  O   LIG    1        6.862   3.232   0.418  0.00  0.00    -0.453 OA
ATOM     29  C   LIG    1        5.877   2.314   0.226  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1        5.433   1.856  -0.996  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        4.405   0.907  -0.999  0.00  0.00    +0.013 A 
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5