REMARK  Name = BDB003193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.989  -0.295   0.296  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.216  -0.940   0.971  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -4.296  -0.147   1.409  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -5.402  -0.720   2.041  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -5.449  -2.095   2.253  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -4.391  -2.898   1.834  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.284  -2.326   1.201  0.00  0.00    +0.007 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -2.413   0.604  -0.880  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -2.355   2.008  -0.839  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.765   2.778  -1.931  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.250   2.163  -3.083  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.332   0.775  -3.143  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.921   0.005  -2.053  0.00  0.00    +0.007 A 
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  O   LIG    1       -1.168  -1.344  -0.266  0.00  0.00    -0.378 OA
ATOM     15  H   LIG    1       -0.544  -0.898  -0.866  0.00  0.00    +0.211 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1       -1.138   0.378   1.417  0.00  0.00    +0.133 C 
BRANCH  16  18
ATOM     17  C   LIG    1        1.197   1.362   0.540  0.00  0.00    -0.087 C 
ATOM     18  C   LIG    1        0.148   0.928   0.935  0.00  0.00    -0.097 C 
BRANCH  17  19
ATOM     19  C   LIG    1        2.483   1.889   0.052  0.00  0.00    +0.174 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.495   0.853  -0.201  0.00  0.00    -0.287 NA
BRANCH  20  22
ATOM     21  C   LIG    1        3.455  -1.192   1.342  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        3.985   0.214   1.035  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1        5.519   0.224   1.041  0.00  0.00    +0.024 C 
ENDBRANCH  20  22
BRANCH  20  24
ATOM     24  C   LIG    1        3.127  -0.010  -1.337  0.00  0.00    +0.113 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.290  -0.746  -2.024  0.00  0.00    +0.171 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.200   0.177  -2.614  0.00  0.00    -0.394 OA
ATOM     27  H   LIG    1        5.966  -0.335  -2.924  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 11