REMARK  Name = BDB064091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.380  -0.375   0.053  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.050  -1.680  -0.175  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.189  -2.136   0.367  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.687  -2.531  -0.991  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.877  -2.083  -1.568  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.350  -0.784  -1.318  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.583   0.071  -0.509  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.271   1.049   1.868  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.362   0.526   0.954  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.722   0.748   0.750  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        2.394   1.619   1.722  0.00  0.00    +0.184 C 
ATOM     12  C   LIG    1        3.873   1.462   1.650  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1        4.789   2.046   2.391  0.00  0.00    -0.132 NA
ATOM     14  N   LIG    1        6.024   1.631   1.939  0.00  0.00    -0.126 NA
ATOM     15  C   LIG    1        5.842   0.782   0.946  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.501   0.679   0.713  0.00  0.00    -0.306 N 
ATOM     17  C   LIG    1        3.793  -0.031  -0.327  0.00  0.00    +0.144 C 
ATOM     18  C   LIG    1        2.406   0.571  -0.536  0.00  0.00    +0.130 C 
BRANCH  15  19
ATOM     19  C   LIG    1        6.899   0.119   0.246  0.00  0.00    +0.172 A 
ATOM     20  O   LIG    1        8.135   0.694   0.075  0.00  0.00    -0.460 OA
ATOM     21  C   LIG    1        8.915  -0.176  -0.611  0.00  0.00    +0.196 A 
ATOM     22  C   LIG    1        8.217  -1.323  -0.894  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        6.926  -1.139  -0.340  0.00  0.00    +0.053 A 
ENDBRANCH  15  19
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.635  -0.316  -1.968  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.496   0.580  -1.089  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.285  -0.004   0.026  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.050   0.875   0.791  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -6.820   0.404   1.861  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -6.824  -0.956   2.167  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.062  -1.840   1.405  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.041   2.309   0.462  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -6.708   3.116   1.099  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.250   2.681  -0.597  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -5.229   3.668  -0.834  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.293  -1.369   0.336  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -4.493   1.852  -1.365  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4