REMARK  Name = BDB051106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.082   1.897  -1.419  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.328   2.365  -2.705  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.404   2.257  -3.671  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.560   2.929  -3.025  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.559   3.021  -2.053  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.334   2.542  -0.753  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.076   2.002  -0.438  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        4.692  -1.157  -0.545  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1        3.338  -1.208  -0.373  0.00  0.00    -0.263 N 
ATOM     10  C   LIG    1        2.322  -1.127  -1.425  0.00  0.00    +0.138 C 
ATOM     11  C   LIG    1        1.361  -0.789  -0.304  0.00  0.00    +0.071 C 
ATOM     12  N   LIG    1        0.243   0.107  -0.449  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1        0.236   1.322  -1.092  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        1.258   1.941  -1.369  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -0.734  -0.979  -0.460  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        0.384  -1.878   0.100  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        2.519  -0.525   0.629  0.00  0.00    +0.138 C 
ATOM     18  O   LIG    1        5.251  -1.424  -1.600  0.00  0.00    -0.226 OA
BRANCH   8  19
ATOM     19  O   LIG    1        5.312  -0.794   0.606  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        7.449  -2.003   0.402  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        6.755  -0.662   0.663  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        7.048  -0.233   2.109  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        7.253   0.436  -0.283  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH   8  19
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  C   LIG    1       -4.414   2.641   0.302  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.668   1.316   1.012  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.483   0.261   0.357  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.637  -0.941   1.045  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -6.383  -1.990   0.493  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -6.979  -1.834  -0.757  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.829  -0.634  -1.450  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.006  -1.101   2.365  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -5.108  -2.144   3.001  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.301  -0.020   2.831  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -3.865  -0.109   3.745  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -6.084   0.413  -0.898  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -4.119   1.160   2.182  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5