REMARK  Name = BDB056617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.040   0.609  -0.295  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.804  -0.061  -0.239  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        2.785  -1.439  -0.439  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.461  -1.783  -0.328  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.088  -2.712  -0.445  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.727  -0.654  -0.048  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        3.929  -2.200  -0.695  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.147  -1.516  -0.746  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        1.530   0.392   0.016  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.209  -0.135  -0.550  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.729  -0.626   0.134  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -1.502  -1.786   0.256  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.889  -1.699   0.425  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -3.533  -0.460   0.477  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -2.771   0.699   0.359  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -1.383   0.613   0.191  0.00  0.00    +0.015 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -4.886  -0.534   0.640  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -5.643   0.678   0.714  0.00  0.00    +0.262 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.997   1.203  -0.670  0.00  0.00    +0.254 C 
ATOM     20  F   LIG    1       -6.980   0.425  -1.205  0.00  0.00    -0.246 F 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1        5.136   2.525   0.680  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        5.611   1.907   1.323  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        5.091   3.507   0.921  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1        4.111   2.071  -0.110  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        3.324   2.852  -0.625  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 5