REMARK  Name = BDB023943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.149   5.344   0.832  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.386   4.513   0.596  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.250   3.133   0.681  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.051   2.497   1.268  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.991   1.060   0.894  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.977   0.091   1.098  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.335  -1.094   0.580  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.552  -0.887   0.037  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.993   0.388   0.228  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.269   1.005  -0.207  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.477   2.314   0.584  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.455   5.064   0.329  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.307   0.270   1.766  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.537   0.179   1.058  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.743   0.394   1.748  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.960   0.316   1.050  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.987   0.026  -0.313  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.838  -0.162  -0.989  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.714   0.688   3.122  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.506   0.767   3.814  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.665  -0.099  -0.309  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.306   0.560   3.139  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.173  -0.032  -1.014  0.00  0.00    -0.312 N 
ATOM     24  C   LIG    1        5.128  -0.409  -2.429  0.00  0.00    +0.143 C 
ATOM     25  C   LIG    1        6.601  -0.573  -2.788  0.00  0.00    +0.185 C 
ATOM     26  F   LIG    1        6.773  -1.417  -3.831  0.00  0.00    -0.244 F 
ATOM     27  C   LIG    1        7.183  -1.174  -1.522  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1        6.430  -0.454  -0.404  0.00  0.00    +0.109 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.232  -1.975  -0.653  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -3.729  -3.042   0.326  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.402  -4.172  -0.438  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -3.522  -4.718  -1.418  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.120  -3.761  -2.396  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.368  -2.609  -1.748  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3