REMARK  Name = BDB032744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.471  -0.421  -1.812  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.272   0.318  -0.930  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.403  -0.293  -0.422  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.402   0.240   0.509  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.400  -0.722   0.633  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.004  -1.977  -0.005  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.324   1.323   1.056  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.762  -1.599  -0.740  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.978  -2.348  -1.596  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.828  -1.753  -2.131  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.445  -0.647   1.660  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.376  -1.870   1.636  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.029  -2.979   2.042  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.580  -1.721   0.988  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.138  -2.559   0.900  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.986  -0.659   0.222  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.961  -0.755  -0.518  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.141   0.589   0.288  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.307   0.618   1.560  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.787   0.188  -2.381  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.810   0.073  -1.389  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.892   0.405  -0.752  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.478  -0.022   0.065  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.013   0.562  -1.786  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.222   1.049  -2.886  0.00  0.00    -0.226 OA
BRANCH  22  30
ATOM     26  C   LIG    1        7.291   0.836   0.572  0.00  0.00    +0.043 A 
ATOM     27  N   LIG    1        7.961   1.419  -0.447  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1        7.272   1.664  -1.581  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        5.933   1.357  -1.756  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        5.251   0.762  -0.702  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        5.942   0.500   0.483  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        7.919   1.743   2.819  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        8.061   0.586   1.842  0.00  0.00    +0.052 C 
ENDBRANCH  26  33
ENDBRANCH  22  30
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6