REMARK  Name = BDB062200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.166  -3.859   0.416  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.907  -2.672   0.434  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.419  -2.002   0.352  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.556  -2.697   0.219  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.244  -0.636   0.418  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.041  -0.475   0.524  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.757  -1.621   0.534  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.751  -1.719   0.634  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.917  -2.148   0.115  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.324  -1.002   0.814  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.633  -0.585   0.683  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.186   0.502   1.286  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.538   0.430   0.790  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.770  -0.692  -0.087  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.537  -1.265  -0.097  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.184  -2.402  -0.788  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.861  -2.847  -0.673  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.624   0.747   0.620  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.951   1.493   0.465  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.990   1.064   0.228  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1       -3.133   1.036  -1.301  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.140   2.067  -1.814  0.00  0.00    +0.082 C 
ATOM     23  N   LIG    1       -5.247   2.207  -0.878  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -5.983   2.788  -1.282  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.821   2.777   0.403  0.00  0.00    +0.082 C 
ATOM     26  C   LIG    1       -3.378   2.434   0.782  0.00  0.00    +0.037 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3