REMARK  Name = BDB018955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.391  -0.516   0.789  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.958  -0.296   0.444  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.987  -1.092   0.976  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.321  -0.902   0.579  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.672   0.118  -0.314  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.674   0.975  -0.801  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.655  -2.166   1.974  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.502  -1.678   2.832  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.337   0.753  -0.410  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.704  -1.369   1.955  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.203   0.256   0.375  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        3.852   0.087  -0.063  0.00  0.00    +0.103 A 
ATOM     13  C   LIG    1        3.822   0.201  -1.450  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        2.635   0.056  -2.171  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        1.503  -0.196  -1.379  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        1.569  -0.270   0.019  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        2.510   0.135  -3.660  0.00  0.00    +0.046 C 
ATOM     18  N   LIG    1        5.109   0.452  -1.856  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1        5.390   0.596  -2.817  0.00  0.00    +0.165 HD
ATOM     20  N   LIG    1        2.743  -0.159   0.668  0.00  0.00    -0.229 NA
ATOM     21  C   LIG    1        5.949   0.489  -0.774  0.00  0.00    +0.098 A 
BRANCH  11  25
ATOM     22  C   LIG    1        7.678  -0.059   3.166  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        7.068   0.117   1.874  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        7.603  -0.125   1.055  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.692   0.212   1.752  0.00  0.00    +0.247 C 
ATOM     26  O   LIG    1        4.958   0.238   2.735  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1       -5.065   0.266  -0.684  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.083   0.518   0.210  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -7.227   0.590  -0.531  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -8.563   0.837  -0.046  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -7.024   0.407  -1.848  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -5.708   0.200  -1.940  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1       -2.985   2.117  -1.734  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -1.953   3.002  -1.868  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -3.254   1.690  -3.001  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4