REMARK  Name = BDB055100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320  -2.695  -1.296  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.480  -2.016  -0.898  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.754  -2.559  -1.020  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.713  -1.700  -0.564  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -3.058  -0.633  -0.160  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -2.998  -3.784  -1.533  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -1.886  -4.448  -1.923  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -1.709  -0.782  -0.346  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -1.003  -0.101  -0.116  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.579  -3.974  -1.834  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        0.706  -4.986  -2.397  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        3.235  -0.401  -0.682  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        2.772  -0.709  -2.058  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        1.268  -1.066  -2.107  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.985  -2.191  -1.198  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        1.457  -1.967   0.182  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.955  -1.583   0.180  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.683  -0.103  -0.703  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        5.547   2.725   3.471  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        5.449   1.754   2.369  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        6.186   0.620   2.496  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        5.989  -0.186   1.388  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        5.128   0.477   0.604  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        4.759   1.715   1.183  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -3.731   0.620   0.441  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -5.082   0.774   0.634  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1       -5.241   2.014   1.182  0.00  0.00    -0.265 N 
ATOM     28  N   LIG    1       -4.078   2.674   1.351  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -3.157   1.816   0.902  0.00  0.00    +0.146 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.490   2.633   1.574  0.00  0.00    +0.215 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.871   3.744   0.625  0.00  0.00    +0.362 C 
ATOM     32  F   LIG    1       -8.230   3.829   0.569  0.00  0.00    -0.207 F 
ATOM     33  F   LIG    1       -6.445   4.943   1.099  0.00  0.00    -0.207 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   5  25
TORSDOF 6