REMARK  Name = BDB044598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.336   0.924  -0.135  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.872   0.386   0.369  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.831   1.277   0.868  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.643   2.661   0.791  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -0.485   3.182   0.226  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.506   2.317  -0.233  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.719   0.473  -0.281  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.790   1.288   0.315  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.444   0.030  -0.593  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.156  -1.023  -1.148  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        6.371  -0.101  -0.400  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1        5.112   0.445  -0.112  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        3.944  -0.144  -0.615  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.055  -1.282  -1.415  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.309  -1.831  -1.705  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.467  -1.244  -1.199  0.00  0.00    +0.015 A 
BRANCH  11  18
ATOM     17  O   LIG    1        7.557   1.572   0.853  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        7.567   0.569   0.163  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        8.716  -0.045  -0.165  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        9.409   0.495   0.270  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -1.045  -1.017   0.422  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -0.214  -1.576   0.219  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -2.137  -1.817   0.659  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1       -1.989  -2.994   0.983  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.515  -1.330   0.441  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -4.489  -1.605   1.405  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -5.806  -1.184   1.204  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -6.167  -0.508   0.025  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1       -5.183  -0.258  -0.946  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -3.865  -0.678  -0.747  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -7.586  -0.033  -0.183  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -7.772   1.236   0.273  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.509  -0.801   0.459  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -7.958  -0.018  -1.493  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 7