REMARK  Name = BDB039355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.447  -0.054  -0.048  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.835   1.192  -0.109  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        4.348   2.281   0.057  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.418   0.954  -0.389  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        2.203  -0.424  -0.394  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        0.936  -0.937  -0.626  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.120  -0.038  -0.862  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.117   1.354  -0.849  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.397   1.850  -0.609  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        1.605   3.172  -0.605  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.478  -1.139  -0.101  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        9.338   0.549   2.418  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        8.284   0.382   1.812  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        7.099   0.223   2.487  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.152   0.286   3.494  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.873  -0.127   1.969  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.937  -0.404   2.719  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        5.804  -0.276   0.441  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        6.857   0.604  -0.233  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        8.233   0.246   0.308  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  C   LIG    1       -1.477  -0.550  -1.108  0.00  0.00    +0.056 A 
ATOM     22  N   LIG    1       -1.843  -1.183  -2.306  0.00  0.00    -0.299 N 
ATOM     23  C   LIG    1       -3.114  -1.690  -2.543  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1       -3.066  -2.234  -3.805  0.00  0.00    +0.138 A 
ATOM     25  N   LIG    1       -1.820  -2.078  -4.358  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1       -4.094  -1.547  -1.526  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -3.774  -0.931  -0.366  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1       -1.118  -1.438  -3.448  0.00  0.00    +0.204 A 
ATOM     29  C   LIG    1       -2.414  -0.424  -0.145  0.00  0.00    +0.031 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -4.775  -0.753   0.759  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.952   0.654   1.160  0.00  0.00    -0.298 NA
ATOM     32  C   LIG    1       -5.689   1.438   0.156  0.00  0.00    +0.085 C 
ATOM     33  C   LIG    1       -7.166   1.201   0.434  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -7.228   0.750   1.887  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -5.785   0.764   2.368  0.00  0.00    +0.085 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   7  21
TORSDOF 4