REMARK  Name = BDB036417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.199  -0.496   0.215  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.595  -1.820   0.327  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.557  -2.264   0.923  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.607  -2.621  -0.402  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.685  -1.752  -0.988  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.372  -2.251  -1.741  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.473  -3.650  -1.867  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.468  -4.509  -1.269  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.529  -3.994  -0.527  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.053  -0.336  -0.671  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.718   4.378   0.793  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.194   3.268   0.744  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.447   2.416  -0.302  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.995   2.802  -1.059  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.844   1.204  -0.560  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.962   0.676  -1.663  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.060   0.606   0.618  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.296   1.724   1.320  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.292   2.752   1.842  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.393  -1.343  -2.366  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.344  -0.900  -1.372  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.899  -1.609  -0.909  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.524   0.425  -1.052  0.00  0.00    +0.247 C 
ATOM     24  O   LIG    1        1.874   1.328  -1.572  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.530   0.751  -0.001  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1        4.251  -0.226   0.691  0.00  0.00    +0.135 A 
ATOM     27  F   LIG    1        4.081  -1.533   0.432  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        5.156   0.124   1.693  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        5.350   1.467   2.015  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.644   2.456   1.329  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.741   2.100   0.325  0.00  0.00    +0.016 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4