REMARK  Name = BDB017062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.348   0.055   0.021  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -2.460   0.629   0.603  0.00  0.00    -0.321 N 
ATOM      3  C   LIG    1       -2.040   1.631   1.431  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.735   1.738   1.430  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.277   0.763   0.559  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      6  F   LIG    1       -1.633  -4.140  -3.652  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -1.559  -3.134  -2.770  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1       -1.614  -3.412  -1.409  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.537  -2.365  -0.489  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.409  -1.043  -0.937  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.351  -0.780  -2.312  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.427  -1.829  -3.230  0.00  0.00    +0.039 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1        1.149   0.564   0.294  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1        1.502  -0.400  -0.591  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.815  -0.584  -0.831  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        3.816   0.155  -0.230  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.451   1.149   0.680  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.093   1.353   0.943  0.00  0.00    +0.041 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.470   1.952   1.339  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1        4.222   2.930   2.228  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1        5.473   3.322   2.506  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1        5.673   4.069   3.165  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1        6.450   2.672   1.865  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1        5.818   1.786   1.109  0.00  0.00    -0.108 NA
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  C   LIG    1       -3.850   0.297   0.364  0.00  0.00    +0.236 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.452  -0.530   1.475  0.00  0.00    +0.407 C 
ATOM     27  F   LIG    1       -5.739  -0.833   1.182  0.00  0.00    -0.169 F 
ATOM     28  F   LIG    1       -3.799  -1.695   1.665  0.00  0.00    -0.169 F 
ATOM     29  F   LIG    1       -4.461   0.142   2.647  0.00  0.00    -0.169 F 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5