REMARK  Name = BDB051692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.001  -1.236   0.437  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.078  -0.360   0.349  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.401  -0.850   0.352  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.650  -2.234   0.448  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        2.893  -2.742   0.460  0.00  0.00    -0.254 NA
ATOM      6  C   LIG    1        3.933  -1.879   0.372  0.00  0.00    +0.119 A 
ATOM      7  C   LIG    1        3.807  -0.500   0.256  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        0.563  -3.088   0.535  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        2.508   0.011   0.262  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -0.749  -2.604   0.530  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.950   0.421   0.188  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1        6.112   0.129  -0.417  0.00  0.00    +0.067 C 
BRANCH  12  13
ATOM     13  C   LIG    1        7.273   1.046  -0.457  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1        8.415   0.617  -0.551  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        7.002   2.376  -0.452  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        7.789   2.996  -0.591  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        6.076   2.745  -0.603  0.00  0.00    +0.145 HD
ENDBRANCH  12  13
ENDBRANCH   7  11
BRANCH   1  18
ATOM     18  O   LIG    1       -2.325  -0.911   0.442  0.00  0.00    -0.484 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -2.683   1.137   1.731  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -2.741   0.457   0.361  0.00  0.00    +0.203 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.158   0.522  -0.211  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.486   1.478  -1.201  0.00  0.00    +0.084 A 
ATOM     23 CL   LIG    1       -3.338   2.642  -1.783  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -5.777   1.540  -1.743  0.00  0.00    +0.142 A 
ATOM     25  F   LIG    1       -6.080   2.447  -2.684  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -6.775   0.679  -1.317  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -6.487  -0.252  -0.327  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.200  -0.330   0.227  0.00  0.00    +0.049 A 
ATOM     29 CL   LIG    1       -5.006  -1.504   1.486  0.00  0.00    -0.083 Cl
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5