REMARK  Name = BDB014937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.345  -4.247  -1.005  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.044  -2.909  -1.014  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.260  -1.783  -0.791  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.785  -1.829  -0.856  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.185  -0.609  -0.254  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.832  -0.266  -0.001  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.753   0.949   0.550  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.025   1.382   0.662  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.919   0.478   0.172  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.400   0.566   0.103  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.906  -0.461  -0.930  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.259  -2.853  -1.199  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.249   2.696   1.238  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.281   2.716   2.358  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.391   3.491   1.881  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -3.852   4.441   0.958  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.745   3.717   0.225  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.192  -1.100  -0.303  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1       -0.027  -1.998  -0.724  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.592  -0.971  -0.143  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1        2.412  -2.029  -0.563  0.00  0.00    +0.180 A 
ATOM     22  F   LIG    1        1.835  -3.119  -1.100  0.00  0.00    -0.201 F 
ATOM     23  C   LIG    1        3.800  -1.982  -0.441  0.00  0.00    +0.168 A 
ATOM     24  F   LIG    1        4.514  -3.033  -0.874  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        4.432  -0.863   0.109  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.622   0.199   0.537  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        2.223   0.144   0.411  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.880  -0.806   0.244  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.631   0.349   0.337  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.935  -0.043   0.440  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        9.093   0.809   0.557  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        8.096  -1.376   0.422  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.849  -1.839   0.294  0.00  0.00    +0.143 A 
ENDBRANCH  25  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4