REMARK  Name = BDB059624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.838   2.888  -1.096  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -0.683   1.678  -0.475  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        0.640   1.337  -0.683  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        1.070   0.119  -0.134  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1        0.161  -0.615   0.559  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -1.110  -0.174   0.692  0.00  0.00    +0.219 A 
ATOM      7  N   LIG    1        1.294   2.313  -1.409  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1       -1.604   0.971   0.193  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1        0.374   3.226  -1.642  0.00  0.00    +0.202 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.585   3.773  -2.598  0.00  0.00    +0.031 C 
ATOM     11  C   LIG    1       -2.072   3.663  -1.161  0.00  0.00    +0.090 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.892   5.031  -0.542  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -1.866   5.188   0.959  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -3.040   5.701   0.173  0.00  0.00    +0.006 C 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  15
ATOM     15  N   LIG    1       -2.017  -0.943   1.407  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1       -2.950  -0.624   1.152  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.858  -2.380   1.226  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.154  -3.099   1.668  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -4.385  -2.565   1.034  0.00  0.00    -0.307 NA
ATOM     20  C   LIG    1       -5.566  -3.138   1.686  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -4.423  -2.854  -0.401  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   4  22
ATOM     22  N   LIG    1        2.386  -0.335  -0.297  0.00  0.00    -0.323 N 
ATOM     23  H   LIG    1        2.976   0.440  -0.594  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.894  -1.085   0.835  0.00  0.00    +0.138 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.353  -1.408   0.595  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.718  -2.331  -0.399  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        6.066  -2.641  -0.640  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        7.054  -1.997   0.119  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.702  -1.074   1.104  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.359  -0.780   1.340  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.445  -3.617  -1.725  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        5.515  -4.594  -1.919  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.611  -3.013  -2.934  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.616  -4.269  -1.472  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 10