REMARK  Name = BDB052664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.404   0.067   0.583  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.908   0.262   0.443  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        4.597  -0.827  -0.085  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        4.467   1.319   0.732  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        3.962  -2.080   0.086  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        3.734  -2.311  -0.834  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        6.042  -0.937   0.108  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.813  -0.058  -0.869  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        8.288  -0.239  -0.679  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1        8.847  -0.986   0.105  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        9.005   0.536  -1.516  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        9.939   0.342  -1.290  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        1.694   1.347   1.026  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.197   1.157   1.281  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.596   0.821   0.016  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.099   0.753   0.305  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.891   0.413  -0.959  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.411   0.450  -0.756  0.00  0.00    +0.015 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.920  -0.653   0.186  0.00  0.00    +0.084 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -6.958   0.452   0.952  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -6.376  -0.749   0.360  0.00  0.00    -0.308 NA
ATOM     22  C   LIG    1       -7.074  -1.121  -0.866  0.00  0.00    +0.104 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 14