REMARK  Name = BDB063242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591  -0.004   1.341  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.686   0.133   0.340  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.614  -0.012   0.651  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        1.020  -0.297   1.903  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1        0.114  -0.464   2.905  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.189  -0.323   2.617  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.929   0.975   3.271  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -4.036   0.502   1.864  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -2.975   0.158   1.022  0.00  0.00    -0.279 N 
ATOM     10  C   LIG    1       -3.527   0.012  -0.253  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -4.898   0.183  -0.072  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -5.776   0.066  -1.163  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -5.253  -0.224  -2.426  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -3.885  -0.400  -2.587  0.00  0.00    +0.125 A 
ATOM     15  F   LIG    1       -3.404  -0.686  -3.804  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -2.994  -0.295  -1.518  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -5.190   0.460   1.229  0.00  0.00    -0.232 NA
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1        1.497   0.158  -0.413  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        0.975   0.384  -1.248  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.889   0.107  -0.534  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.757  -0.174   0.525  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        5.146  -0.213   0.338  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        5.706   0.035  -0.921  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.846   0.307  -1.990  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.460   0.344  -1.795  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.199  -0.029  -1.128  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        7.620  -1.276  -1.476  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.636   0.803  -2.115  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.910   0.310  -0.016  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4