REMARK  Name = BDB049254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.014   0.147   0.194  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.756  -0.940   0.712  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        2.138  -0.903   0.564  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        2.563  -2.084   1.122  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        1.548  -2.762   1.604  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.871   0.151  -0.051  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.121   1.173  -0.545  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        0.410  -2.043   1.344  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.663   1.156  -0.398  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.305   0.416   0.534  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.516   0.092   1.644  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.125   0.005   1.527  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.490   0.249   0.301  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.284   0.566  -0.811  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.674   0.656  -0.694  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.811   0.521   0.662  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.969   0.014  -0.276  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.545  -0.326  -0.297  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -6.370  -1.749   0.006  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.263   0.006  -0.088  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        4.647  -0.619   0.621  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.284   0.979  -0.473  0.00  0.00    +0.177 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.674   0.490  -0.233  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        6.880  -0.229   0.911  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        8.194  -0.570   0.932  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        8.837  -0.083  -0.181  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.855   0.604  -0.937  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  28
ATOM     28  C   LIG    1        2.671   2.307  -1.213  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        3.115   3.235  -1.751  0.00  0.00    -0.191 NA
ENDBRANCH   7  28
TORSDOF 7