REMARK  Name = BDB028252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.216   0.401  -0.523  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.886  -0.088   0.194  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.123  -0.266  -0.441  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.245   0.042  -1.794  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.539  -0.161  -2.465  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.551  -0.661  -1.685  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.457  -0.798  -2.123  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.470  -0.957  -0.360  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.688   0.098  -3.654  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.152   0.534  -2.516  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.336  -0.774   0.252  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.076   0.717  -1.879  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.033   2.559   1.779  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1        1.855   1.502   1.140  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        1.493   0.596   0.152  0.00  0.00    +0.076 A 
ATOM     16  N   LIG    1        2.638  -0.150  -0.080  0.00  0.00    -0.296 N 
ATOM     17  C   LIG    1        3.623   0.350   0.772  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1        4.911  -0.258   0.720  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        5.132  -1.282  -0.127  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        4.078  -1.777  -0.987  0.00  0.00    +0.140 A 
ATOM     21  F   LIG    1        4.345  -2.807  -1.811  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        2.862  -1.215  -0.954  0.00  0.00    +0.131 A 
ATOM     23  N   LIG    1        3.167   1.334   1.512  0.00  0.00    -0.232 NA
ENDBRANCH   1  15
BRANCH  11  24
ATOM     24  C   LIG    1       -3.281  -1.105   1.743  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.389   0.123   2.533  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -2.556   0.697   2.435  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -3.465  -0.117   3.520  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 3