REMARK  Name = BDB050606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.522  -0.860   0.415  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        1.329  -0.182   0.657  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.565  -0.519   1.778  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.005  -1.510   2.663  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.188  -2.201   2.400  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.941  -1.886   1.268  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.687   0.208   2.088  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -1.671   0.310   1.106  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.837   1.140   1.392  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1       -3.515   1.616   0.113  0.00  0.00    +0.058 C 
ATOM     11  C   LIG    1       -3.963   0.438  -0.790  0.00  0.00    +0.094 C 
ATOM     12  C   LIG    1       -3.186  -0.852  -0.452  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -1.737  -0.534  -0.090  0.00  0.00    +0.111 C 
ATOM     14  O   LIG    1       -0.800   0.696   3.210  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -5.491   0.293  -0.818  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -6.268   1.368  -1.307  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -7.661   1.294  -1.365  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -8.299   0.139  -0.940  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1       -9.634   0.060  -0.995  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -7.567  -0.939  -0.462  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -6.171  -0.865  -0.404  0.00  0.00    +0.009 A 
ENDBRANCH  11  15
BRANCH  11  22
ATOM     22  O   LIG    1       -3.568   0.779  -2.137  0.00  0.00    -0.384 OA
ATOM     23  H   LIG    1       -4.187   0.341  -2.748  0.00  0.00    +0.211 HD
ENDBRANCH  11  22
ENDBRANCH   3   7
BRANCH   1  24
ATOM     24  O   LIG    1        3.217  -0.517  -0.722  0.00  0.00    -0.456 OA
BRANCH  24  28
ATOM     25  C   LIG    1        7.320   0.200  -0.475  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.470   0.763   0.486  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.093   0.532   0.424  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        4.566  -0.278  -0.586  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        5.406  -0.833  -1.551  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        6.783  -0.605  -1.489  0.00  0.00    +0.016 A 
BRANCH  25  34
ATOM     31  N   LIG    1        9.262   1.516   0.202  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       10.251   1.703   0.091  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        8.668   2.302   0.424  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        8.793   0.411  -0.451  0.00  0.00    +0.242 C 
ATOM     35  O   LIG    1        9.561  -0.353  -1.022  0.00  0.00    -0.270 OA
ENDBRANCH  25  34
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 6