REMARK  Name = BDB057829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.594  -1.048   0.174  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.969  -2.392   0.350  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -2.345  -2.623   0.462  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.790  -3.930   0.627  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.905  -5.010   0.694  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.539  -4.787   0.598  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -3.248  -1.641   0.415  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -2.788  -0.387   0.280  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1       -0.070  -3.487   0.429  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -1.498  -0.053   0.148  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.788   0.694   0.201  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.594   1.981   0.758  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -4.592   2.969   0.594  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.777   2.695  -0.086  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.988   1.431  -0.614  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.008   0.447  -0.472  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -2.349   2.347   1.538  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -1.280   2.632   0.745  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -2.527   3.473   2.297  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -1.950   1.398   2.429  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        0.773  -0.729   0.040  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.171  -1.272  -0.721  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.070   0.690  -0.118  0.00  0.00    +0.138 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.332   1.097  -0.767  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.435   1.280  -1.822  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.058   1.155  -1.619  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.557   0.847  -0.349  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.462   0.656   0.705  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        4.840   0.782   0.499  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        7.600   1.097  -0.059  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.649   1.248  -1.105  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6