REMARK  Name = BDB047864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.736  -1.212  -0.385  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        2.493  -2.337   0.421  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.227  -2.955   0.402  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        0.670  -4.070   1.085  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.630  -4.215   0.661  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -0.893  -3.220  -0.249  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1        0.233  -2.439  -0.433  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.461  -1.327  -1.258  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.723  -0.727  -1.219  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        4.070  -0.506  -0.320  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.011   0.839   0.425  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.987   0.585   1.947  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1        4.942   0.738   2.696  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        2.777   0.200   2.423  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        2.087   0.065   1.741  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1        5.142   1.594  -0.026  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1        6.335   3.653  -0.173  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        5.109   2.959   0.387  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -2.167  -3.052  -0.941  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.886  -1.839  -0.473  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1       -3.336  -1.506   0.789  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -3.288  -2.148   2.115  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -3.938  -0.283   0.712  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1       -3.832   0.071  -0.607  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1       -3.218  -0.827  -1.354  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.399   1.360  -0.993  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -5.010   2.210  -0.059  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -5.540   3.436  -0.466  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1       -6.286   4.468   0.692  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -5.471   3.833  -1.799  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.867   2.998  -2.737  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.335   1.770  -2.334  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9