REMARK  Name = BDB014793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.357  -0.321   0.356  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.657  -1.183   0.789  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.169  -2.950   1.368  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.717  -1.544   1.391  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.826  -0.511   1.122  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.362  -0.718   1.109  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.671   0.418   0.446  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.305   0.616   0.101  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.141   1.808  -0.483  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.366   2.359  -0.523  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.530   3.663  -1.118  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.313   1.569   0.043  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.762   1.833   0.203  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.316   0.875   1.277  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -6.910  -1.354   1.628  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.041  -0.322   0.147  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.756   0.764  -0.359  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.144   0.696  -0.553  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.869  -0.465  -0.251  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.151  -1.557   0.255  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.765  -1.486   0.449  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.326  -0.536  -0.467  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        6.203  -1.013   0.520  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1        5.730  -1.416   1.711  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        7.581  -1.078   0.313  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        8.119  -0.665  -0.903  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        7.275  -0.190  -1.904  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.894  -0.127  -1.688  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3