REMARK  Name = BDB064125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.201   1.054   0.144  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1        1.535   0.035  -0.544  0.00  0.00    +0.238 A 
ATOM      3  N   LIG    1        0.376  -0.537  -0.143  0.00  0.00    -0.196 NA
ATOM      4  C   LIG    1       -0.189  -0.094   0.999  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        0.423   0.913   1.751  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.621   1.491   1.324  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.397  -0.657   1.452  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.465   0.363   1.602  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.871  -0.267   1.473  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.106  -0.908   0.158  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.222  -1.845   0.238  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.874  -1.559  -0.351  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.824  -1.878   0.735  0.00  0.00    +0.122 C 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     14  C   LIG    1        4.180   2.580   0.100  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        3.408   1.558  -0.391  0.00  0.00    -0.278 N 
ATOM     16  H   LIG    1        3.682   1.122  -1.265  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        3.940   3.291   1.067  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.115   1.951  -1.382  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        5.407   2.860  -0.698  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   1  15
BRANCH   2  20
ATOM     20  O   LIG    1        2.132  -0.401  -1.722  0.00  0.00    -0.478 OA
ATOM     21  C   LIG    1        1.384  -1.423  -2.375  0.00  0.00    +0.279 C 
ENDBRANCH   2  20
TORSDOF 4