REMARK  Name = BDB027621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.425  -0.827  -0.256  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.058  -2.177  -0.399  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.313  -2.433  -0.400  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.686  -3.763  -0.531  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.845  -4.823  -0.662  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.469  -4.540  -0.669  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.237  -1.469  -0.287  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.793  -0.207  -0.185  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.964  -3.256  -0.544  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.496   0.146  -0.172  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.801   0.864  -0.072  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        2.436   2.216  -0.001  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.420   3.187   0.106  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.739   2.915   0.148  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.087   1.615   0.078  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.175   0.578  -0.031  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.788  -0.496  -0.253  0.00  0.00    -0.319 N 
ATOM     18  H   LIG    1       -2.257  -1.077   0.452  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -1.857   1.849  -1.122  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -2.273   0.883  -0.003  0.00  0.00    +0.077 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.811   1.412   1.384  0.00  0.00    +0.183 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.054   0.473   2.433  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1       -1.602   0.808   3.225  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -3.836   0.790  -0.040  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.334  -0.273   0.777  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -5.304  -0.232   0.738  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7