REMARK  Name = BDB032321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.154  -0.508  -0.046  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        1.603  -0.105  -1.212  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.258  -0.176  -1.352  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.608  -0.644  -0.376  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.031  -1.077   0.817  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.353  -1.011   0.980  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        7.486   0.805   0.617  0.00  0.00    +0.238 A 
ATOM      8  N   LIG    1        6.230   0.391   0.269  0.00  0.00    -0.305 N 
ATOM      9  C   LIG    1        5.779  -0.283  -0.929  0.00  0.00    +0.144 C 
ATOM     10  C   LIG    1        4.268  -0.105  -1.129  0.00  0.00    +0.128 C 
ATOM     11  N   LIG    1        3.552  -0.448   0.117  0.00  0.00    -0.306 N 
ATOM     12  C   LIG    1        3.946   0.387   1.278  0.00  0.00    +0.182 C 
ATOM     13  C   LIG    1        5.407   0.699   1.317  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        6.111   1.294   2.253  0.00  0.00    -0.132 NA
ATOM     15  N   LIG    1        7.416   1.360   1.815  0.00  0.00    -0.125 NA
BRANCH   7  17
ATOM     16  F   LIG    1        8.800  -0.664  -0.660  0.00  0.00    -0.163 F 
ATOM     17  C   LIG    1        8.672   0.628  -0.252  0.00  0.00    +0.452 C 
ATOM     18  F   LIG    1        9.841   0.971   0.341  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        8.569   1.370  -1.387  0.00  0.00    -0.163 F 
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.092  -0.709  -0.607  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.781   0.090   0.398  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1       -2.303   0.967   0.592  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.167   0.261   0.320  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.025  -0.625  -0.346  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -6.424  -0.451  -0.340  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1       -6.979   0.624   0.378  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.370   0.763   0.359  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1       -9.215  -0.063  -0.300  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1       -8.651  -1.086  -0.974  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -6.134   1.492   1.082  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -7.285  -1.320  -1.023  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -4.750   1.299   1.060  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5