REMARK  Name = BDB034981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.223  -2.371  -0.032  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.914  -0.924   0.231  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.637  -0.420  -0.017  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.444   0.955   0.247  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -0.182   1.474   0.005  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.847   0.663  -0.461  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        0.560  -0.668  -0.710  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1       -2.405   1.777   0.714  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.617   1.258   0.945  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.653  -1.222  -0.488  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1       -3.917  -0.072   0.712  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.595   2.135   1.399  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.150   3.039   1.538  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.042   1.801   2.244  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  O   LIG    1        2.060   1.254  -0.707  0.00  0.00    -0.454 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.188   0.545  -0.368  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        3.381   0.013   0.904  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1        4.569  -0.652   1.148  0.00  0.00    +0.114 A 
ATOM     19  N   LIG    1        5.548  -0.801   0.229  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        5.338  -0.248  -0.986  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        4.186   0.436  -1.329  0.00  0.00    +0.066 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3