REMARK  Name = BDB007056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.820  -0.181   0.671  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.430  -0.753   1.347  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.736  -0.516   0.886  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.870  -1.062   1.491  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.694  -1.887   2.616  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.837  -2.431   3.215  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        5.093  -2.146   2.691  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        5.165  -1.324   1.582  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        1.402  -2.137   3.105  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.086  -0.779   0.975  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.287  -1.575   2.477  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        1.949   0.307  -0.204  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.928   0.295  -0.309  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.174  -0.951  -0.609  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -2.047  -2.054  -0.588  0.00  0.00    +0.046 A 
ATOM     16 CL   LIG    1       -2.805  -2.626   0.858  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -2.346  -2.756  -1.764  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -1.783  -2.377  -2.981  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -0.914  -1.284  -3.042  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -0.612  -0.592  -1.855  0.00  0.00    +0.019 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -0.280  -0.875  -4.349  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        0.899  -1.518  -4.576  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -1.065  -1.144  -5.430  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        0.001   0.457  -4.419  0.00  0.00    -0.166 F 
ENDBRANCH  19  21
ENDBRANCH   1  14
BRANCH   1  25
ATOM     25  N   LIG    1       -0.620   1.259   0.472  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1        0.217   1.429  -0.077  0.00  0.00    +0.148 HD
BRANCH  25  29
ATOM     27  C   LIG    1       -0.153   4.031  -0.164  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -1.513   3.395  -0.219  0.00  0.00    -0.009 A 
ATOM     29  C   LIG    1       -1.706   2.035   0.076  0.00  0.00    +0.122 A 
ATOM     30  N   LIG    1       -2.938   1.480   0.060  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1       -3.990   2.256  -0.294  0.00  0.00    +0.132 A 
ATOM     32  C   LIG    1       -3.882   3.591  -0.628  0.00  0.00    +0.059 A 
ATOM     33 CL   LIG    1       -5.261   4.510  -1.070  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1       -2.624   4.171  -0.588  0.00  0.00    +0.028 A 
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 6