REMARK  Name = BDB016174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448   1.084  -1.057  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.726   0.759  -0.504  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1       -1.738   0.034   0.708  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.901   0.254   1.250  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.933   0.041   1.539  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.978  -0.840   0.893  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.797  -0.038  -0.063  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.215   0.775  -0.979  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.918   1.171  -1.592  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.028  -0.138  -0.072  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.557  -0.517   2.916  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.871   1.097  -1.264  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.720   1.847  -2.451  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.470   2.218  -2.933  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.335   1.828  -2.243  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        1.646  -0.856  -2.192  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        1.734  -0.149  -0.865  0.00  0.00    -0.007 C 
ATOM     18  C   LIG    1        0.803   0.695  -0.375  0.00  0.00    +0.136 C 
ATOM     19  F   LIG    1        0.971   1.232   0.858  0.00  0.00    -0.205 F 
BRANCH  17  20
ATOM     20  C   LIG    1        2.943  -0.452  -0.069  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        2.838  -0.993   1.221  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.983  -1.293   1.965  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.251  -1.058   1.426  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        5.366  -0.524   0.139  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        4.219  -0.225  -0.604  0.00  0.00    +0.009 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.426  -1.363   2.187  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        7.379  -1.612   2.802  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH   1  18
TORSDOF 3