REMARK  Name = BDB050273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.087  -0.386   2.492  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.347   0.199  -0.058  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -4.467  -0.442   1.169  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.343  -0.610   1.988  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -2.086  -0.148   1.593  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.961   0.485   0.360  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.086   0.652  -0.457  0.00  0.00    +0.049 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.335   0.441  -0.965  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -7.189   1.232   0.419  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.722   0.250  -0.668  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -7.435   0.630  -1.980  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -7.145  -1.206  -0.389  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1       -6.520  -2.221  -0.651  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -8.368  -1.316   0.175  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1       -8.499  -2.285   0.257  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.238   0.062   2.186  0.00  0.00    +0.244 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.985  -0.981   1.337  0.00  0.00    +0.125 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.400  -0.647   1.085  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.098  -1.797   0.487  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        4.608  -1.523   0.376  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.900  -0.178  -0.245  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.929   0.752  -0.309  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.537   0.536   0.220  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        6.260   0.079  -0.759  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        6.456   0.695  -2.006  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        7.745   0.922  -2.498  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        8.851   0.532  -1.748  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       10.437   0.810  -2.353  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        8.678  -0.084  -0.512  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.388  -0.312  -0.022  0.00  0.00    +0.009 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9