REMARK  Name = BDB034991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.262   2.542  -0.763  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        2.572   1.105  -0.454  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1        1.578   0.262   0.043  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.967  -1.065   0.317  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.989  -1.905   0.817  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.310  -1.446   1.028  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.612  -0.130   0.724  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        3.211  -1.548   0.125  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        4.138  -0.713  -0.359  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        0.317   0.716   0.243  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        3.869   0.612  -0.652  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.419  -1.229  -0.524  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        5.376  -2.218  -0.291  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1        5.769  -1.078  -1.463  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   7  15
ATOM     15  N   LIG    1       -1.884   0.413   0.914  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -1.871   1.349   0.515  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.126  -0.293   0.833  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -4.343   0.651   0.957  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -4.375   0.741  -0.582  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -3.573  -0.575  -0.620  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
TORSDOF 3