REMARK  Name = BDB018422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.185  -0.779  -0.397  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.938  -0.219  -0.965  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.960  -0.314  -0.038  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.538  -0.955   1.079  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.249  -1.217   0.865  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -2.890  -2.022  -4.226  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -2.850  -1.478  -2.878  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -4.038  -1.121  -2.255  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -5.155  -1.220  -2.753  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -3.905  -0.580  -0.881  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.705  -0.466  -0.283  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -1.484  -0.876  -0.998  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.622  -1.354  -2.251  0.00  0.00    +0.098 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.724   0.122   1.074  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.215  -0.613   2.163  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.221  -0.058   3.443  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.737   1.234   3.645  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.248   1.973   2.569  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.243   1.421   1.287  0.00  0.00    +0.008 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        3.316   0.096  -0.198  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1        4.197   0.195   0.893  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1        5.553   0.497   0.686  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        6.032   0.737  -0.600  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.160   0.680  -1.683  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.812   0.362  -1.489  0.00  0.00    +0.028 A 
BRANCH  21  26
ATOM     26  C   LIG    1        3.786   0.089   2.303  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        4.248  -0.667   3.135  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        2.913   1.067   2.607  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        2.651   0.861   3.528  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH   3  20
TORSDOF 5