REMARK  Name = BDB027633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.282  -0.334  -0.277  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.600  -1.601  -0.794  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.962  -1.897  -0.856  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -2.290  -3.148  -1.356  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.415  -4.094  -1.790  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.112  -3.771  -1.726  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.916  -1.039  -0.464  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.515   0.157  -0.008  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.341  -2.557  -1.245  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.232   0.541   0.094  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.554   1.116   0.413  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.919   0.798   0.347  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.859   1.732   0.753  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.545   2.958   1.219  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.233   3.260   1.281  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.223   2.391   0.897  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.069   0.059  -0.199  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        1.611  -0.666   0.277  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.314   1.336   0.480  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.830   1.540   0.594  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.370   0.458   1.363  0.00  0.00    -0.376 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.796   0.374   1.307  0.00  0.00    +0.187 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.287  -0.332   0.040  0.00  0.00    +0.184 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.845  -1.688   0.019  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1        5.198  -2.089  -0.793  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8