REMARK  Name = BDB050291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.499   0.207   1.601  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.352   0.215   0.791  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.116  -0.193   1.308  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -0.021  -0.590   2.646  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.157  -0.600   3.456  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.390  -0.207   2.936  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.117  -0.190   0.465  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        2.265   0.032   1.038  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        0.970  -0.438  -1.024  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        3.312   0.031   0.104  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.537   0.292   0.787  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.657   0.285  -0.223  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        6.274  -0.921  -0.589  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        7.298  -0.932  -1.539  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.704   0.261  -2.132  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        8.965   0.248  -3.303  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        7.093   1.465  -1.788  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.068   1.476  -0.838  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.836   0.632   1.042  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.481  -0.409   0.118  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.940  -1.606   0.948  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -5.933  -1.686   1.655  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.096  -2.658   0.856  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -4.507  -3.335   1.433  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -5.627   0.175  -0.518  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -6.588   1.381  -2.338  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -5.330   0.734  -1.794  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10