REMARK  Name = BDB032688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.113  -0.666  -1.862  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.714   0.218  -1.154  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.004  -0.192  -0.874  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.067   0.526  -0.163  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.148  -0.340  -0.075  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.928  -1.560  -0.841  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.978   1.669   0.241  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.505  -1.431  -1.265  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.703  -2.318  -1.959  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.388  -1.931  -2.251  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.485   0.055   0.354  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.199   0.873  -0.734  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.007   0.715  -1.939  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.179   1.734  -0.295  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.671   2.245  -1.014  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.645   1.898   0.986  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.626   2.599   1.216  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.950   1.105   2.068  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.510   0.798   1.689  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.536  -0.278  -2.178  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.303  -0.427  -0.979  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.234  -0.306   0.074  0.00  0.00    -0.250 N 
ATOM     23  H   LIG    1        3.607  -0.592   0.814  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.620  -0.141  -1.133  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        4.129   0.202  -2.188  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        9.713   0.421   1.365  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        8.257   0.218   1.064  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        7.346  -0.176   2.044  0.00  0.00    +0.064 A 
ATOM     29 CL   LIG    1        7.812  -0.464   3.679  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        6.005  -0.345   1.692  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        5.594  -0.121   0.378  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1        6.568   0.270  -0.535  0.00  0.00    +0.134 A 
ATOM     33  N   LIG    1        7.878   0.442  -0.221  0.00  0.00    -0.257 NA
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5