REMARK  Name = BDB030993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.022   0.132  -2.424  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.515  -0.765  -3.319  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.861  -0.993  -3.154  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.613  -0.413  -2.199  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -1.999   0.437  -1.370  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -0.699   0.725  -1.445  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.720   0.422   0.228  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.756   0.951  -1.079  0.00  0.00    +0.086 A 
ATOM      9 CL   LIG    1        6.202   1.631  -1.744  0.00  0.00    -0.079 Cl
ATOM     10  C   LIG    1        3.588   0.924  -1.856  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        2.390   0.391  -1.381  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.424   0.515  -2.428  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.046   1.147  -3.486  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.364  -0.131  -0.072  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.351   1.374  -3.136  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        4.047   1.823  -3.718  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.526  -0.110   0.715  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.129   0.013   2.260  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.907   0.459   0.991  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.720   0.870   0.550  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.338  -0.524   3.020  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.807  -0.151   3.884  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.429   0.267   2.571  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.253  -1.452  -4.385  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        1.414  -2.015  -3.954  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.445  -2.477  -4.958  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.584  -0.630  -5.419  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.699   1.080  -0.367  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.011   1.461   0.275  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.796   0.344   0.255  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -4.681   1.335   1.067  0.00  0.00    +0.106 C 
ATOM     32  N   LIG    1       -5.401   0.731   2.208  0.00  0.00    -0.304 NA
ATOM     33  C   LIG    1       -6.593   1.504   2.541  0.00  0.00    +0.104 C 
ATOM     34  C   LIG    1       -5.714  -0.675   1.962  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1       -4.421  -1.495   1.874  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -3.271  -0.757   1.181  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6