REMARK  Name = BDB017012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.844  -1.165  -1.091  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.554  -1.446  -2.412  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.248  -1.556  -2.478  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.673  -1.343  -1.260  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.673  -1.096  -0.359  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.762  -0.153   1.028  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.440  -0.295   0.607  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.197  -0.981  -0.573  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        5.204  -1.514  -1.312  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        6.469  -1.387  -0.864  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.802  -0.721   0.297  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.296   0.479   3.263  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.016   0.578   2.286  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.089   1.392   2.222  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.462   1.517   1.329  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.748  -1.391  -0.974  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.409  -0.019  -1.154  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.854  -0.057  -0.920  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1       -3.521   1.212  -1.297  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.671   1.328  -0.349  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -4.502   0.418   0.695  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -5.412   0.339   1.735  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -6.518   1.192   1.708  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.685   2.107   0.654  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -8.054   3.152   0.650  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -5.757   2.186  -0.385  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -3.232  -0.343   0.484  0.00  0.00    +0.120 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6