REMARK  Name = BDB056963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.917  -0.389   0.292  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1        0.075  -0.144  -0.734  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.330  -0.198  -0.512  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1       -1.879   0.460   0.569  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1       -1.373   1.001   1.253  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -3.238   0.275   0.551  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -3.462  -0.491  -0.584  0.00  0.00    +0.089 A 
ATOM      8  C   LIG    1       -4.772  -0.859  -0.914  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.817  -0.442  -0.078  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -5.570   0.321   1.073  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -6.719   0.779   1.927  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.259   0.708   1.401  0.00  0.00    +0.031 A 
ATOM     13  N   LIG    1       -2.281  -0.763  -1.230  0.00  0.00    -0.227 NA
ENDBRANCH   2   3
BRANCH   1  17
ATOM     14  C   LIG    1        5.202  -0.431   0.212  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        4.513   0.707  -0.205  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.112   0.730  -0.188  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.387  -0.389   0.235  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        3.081  -1.523   0.667  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.479  -1.541   0.652  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        7.339   0.484  -0.280  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        6.560  -0.583   0.247  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   2  22
ATOM     22  C   LIG    1        0.543   0.117  -2.062  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        0.951   0.371  -3.119  0.00  0.00    -0.191 NA
ENDBRANCH   2  22
TORSDOF 4