REMARK  Name = BDB018716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.138  -0.165   0.531  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        4.227  -0.301  -0.655  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1        2.791  -0.047  -0.143  0.00  0.00    +0.128 C 
ATOM      4  C   LIG    1        2.299   1.365  -0.570  0.00  0.00    +0.242 C 
ATOM      5  O   LIG    1        3.046   2.327  -0.745  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        0.934   1.545  -0.626  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1        0.602   2.483  -0.806  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        0.038   0.473  -0.512  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.521  -0.841  -0.452  0.00  0.00    +0.141 A 
ATOM     10  N   LIG    1       -0.289  -1.900  -0.308  0.00  0.00    -0.238 NA
ATOM     11  C   LIG    1       -1.622  -1.650  -0.244  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -2.209  -0.383  -0.318  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.334   0.701  -0.457  0.00  0.00    +0.036 A 
ATOM     14  N   LIG    1        1.878  -1.104  -0.614  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        2.072  -2.063  -0.339  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        2.932  -0.110   1.383  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        4.338   0.404   1.640  0.00  0.00    +0.119 C 
ENDROOT
BRANCH  12  18
ATOM     18  C   LIG    1       -3.666  -0.199  -0.252  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -4.526  -0.918  -1.097  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -5.904  -0.733  -1.024  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -6.704  -1.428  -1.843  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -6.462   0.161  -0.120  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -5.628   0.884   0.727  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -4.242   0.705   0.660  0.00  0.00    +0.009 A 
ENDBRANCH  12  18
BRANCH   1  26
ATOM     25  N   LIG    1        7.610   0.122   0.329  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1        6.464  -0.011   0.421  0.00  0.00    +0.169 C 
ENDBRANCH   1  26
TORSDOF 2