REMARK  Name = BDB051104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.324  -0.601   1.041  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.573  -1.883   1.521  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.352  -2.849   1.435  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.807  -2.196   2.084  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.810  -1.227   2.147  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.594   0.060   1.629  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.337   0.367   1.086  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        5.382   2.957  -1.256  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        5.344   1.734  -1.294  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        4.761   0.952  -0.332  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        3.756   1.390   0.640  0.00  0.00    +0.135 C 
ATOM     12  C   LIG    1        3.445  -0.081   0.810  0.00  0.00    +0.070 C 
ATOM     13  N   LIG    1        2.122  -0.597   1.056  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1        0.963  -0.236   0.417  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        0.947   0.404  -0.632  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.396  -0.855   2.467  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1        3.890  -0.719   2.113  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        4.240  -0.413  -0.429  0.00  0.00    +0.135 C 
BRANCH   9  19
ATOM     19  C   LIG    1        5.950   0.998  -2.435  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        7.341   1.360  -2.905  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        7.106   0.048  -2.221  0.00  0.00    +0.013 C 
ENDBRANCH   9  19
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1       -3.681   1.111   1.681  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.002   0.641   1.085  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -5.184   0.601  -0.389  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.412   0.144  -0.865  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -6.664   0.072  -2.240  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -5.679   0.460  -3.146  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.449   0.918  -2.678  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.449  -0.264   0.097  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -8.544  -0.671  -0.275  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -7.116  -0.159   1.425  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -7.822  -0.433   2.102  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -4.199   0.992  -1.304  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -5.929   0.276   1.923  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4