REMARK  Name = BDB062126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.402  -0.406  -2.892  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        2.039  -0.746  -2.565  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        1.404  -0.558  -1.354  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.104  -0.979  -1.601  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -0.046  -1.417  -2.891  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.134  -1.267  -3.445  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.022   0.027  -0.170  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.583   1.267   0.310  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.160   1.828   1.452  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.182   1.152   2.126  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        3.623  -0.088   1.651  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        3.044  -0.648   0.508  0.00  0.00    +0.011 A 
BRANCH  10  13
ATOM     13  C   LIG    1        3.774   1.725   3.299  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        4.256   2.184   4.249  0.00  0.00    -0.191 NA
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1       -1.002  -0.959  -0.663  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -2.185  -0.255  -0.947  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -3.237  -0.293  -0.008  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1       -3.125  -1.007   1.196  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1       -1.936  -1.692   1.464  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -0.888  -1.672   0.542  0.00  0.00    +0.011 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -2.356   0.542  -2.219  0.00  0.00    +0.418 C 
ATOM     22  F   LIG    1       -2.611  -0.220  -3.317  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -3.412   1.413  -2.146  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -1.288   1.335  -2.522  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
BRANCH  18  25
ATOM     25  C   LIG    1       -4.264  -1.018   2.183  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.417   0.282   2.821  0.00  0.00    -0.326 NA
ATOM     27  H   LIG    1       -5.140   0.221   3.534  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -3.552   0.516   3.306  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH   4  15
TORSDOF 6