REMARK  Name = BDB027785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.859  -0.526  -0.120  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        2.262  -1.397  -1.061  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        1.324  -1.880  -1.884  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.021  -1.522  -1.796  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.946  -2.062  -2.721  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.496  -2.949  -3.682  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.788  -3.328  -3.784  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.336  -0.613  -0.768  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.651  -2.779  -2.888  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.594  -0.127   0.067  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.629   1.548   2.467  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        2.818   0.884   1.880  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        2.883  -0.003   0.768  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        4.227  -0.316   0.672  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        4.856   0.361   1.670  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        5.844   0.368   1.898  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        4.027   1.094   2.425  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -1.698  -0.225  -0.609  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -2.220  -1.077  -0.415  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.168   0.893   0.197  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1       -3.701   0.730   0.467  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -3.356   0.038   1.796  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -1.969   0.703   1.727  0.00  0.00    +0.028 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -1.864   2.254  -0.442  0.00  0.00    +0.181 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -0.491   2.599  -0.305  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -0.309   3.320  -0.929  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 5