REMARK  Name = BDB039636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.741   0.178   0.140  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.745   0.120  -0.941  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.052  -1.262  -0.989  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.457  -1.738   0.308  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.219  -0.791   1.404  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.255  -0.310   1.455  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.878   0.058  -0.464  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.427   0.349   0.778  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.080   0.376   0.924  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.659   0.695   2.161  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.118   0.126  -0.085  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.666  -0.162  -1.343  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.049  -0.199  -1.543  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.510   0.407   0.523  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.079   0.270   0.514  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.534   0.534   1.331  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.366   0.028  -0.640  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.875  -0.188  -1.734  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.780  -2.358   0.280  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.957  -1.426   0.071  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.563  -0.789   1.168  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.645   0.071   0.974  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -5.232   0.705   2.102  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.867   0.529   3.027  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.309   1.580   2.049  0.00  0.00    +0.260 A 
ATOM     26  C   LIG    1       -6.814   1.813   0.719  0.00  0.00    +0.085 A 
ATOM     27  C   LIG    1       -6.258   1.201  -0.429  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1       -6.980   1.646  -1.506  0.00  0.00    +0.204 A 
ATOM     29  O   LIG    1       -7.955   2.504  -1.082  0.00  0.00    -0.470 OA
ATOM     30  C   LIG    1       -7.847   2.600   0.275  0.00  0.00    +0.208 A 
ATOM     31  O   LIG    1       -6.774   2.098   3.059  0.00  0.00    -0.267 OA
ATOM     32  C   LIG    1       -5.140   0.298  -0.331  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -4.555  -0.338  -1.422  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -3.471  -1.197  -1.218  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4