REMARK  Name = BDB027049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.004  -0.109   0.291  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.743  -1.552  -0.126  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.338  -1.850  -1.437  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.081  -3.169  -1.816  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.223  -4.203  -0.893  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.621  -3.921   0.412  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.877  -2.604   0.795  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.114   0.367   1.264  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1       -0.042   0.386   2.488  0.00  0.00    -0.290 OA
BRANCH   8  16
ATOM     10  N   LIG    1        3.653   0.790   0.539  0.00  0.00    -0.344 N 
ATOM     11  C   LIG    1        3.178   1.411  -0.596  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        1.778   1.404  -0.515  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.057   2.048  -1.548  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.735   2.624  -2.629  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.121   2.584  -2.696  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.423   0.716   0.695  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        3.866   1.983  -1.680  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.612   0.398   1.331  0.00  0.00    +0.098 A 
BRANCH  10  19
ATOM     19  C   LIG    1        5.051   0.585   0.875  0.00  0.00    +0.150 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.612  -0.688   0.250  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1        7.271  -1.412   1.793  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1        7.009  -0.832   0.521  0.00  0.00    -0.381 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  10  19
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  N   LIG    1       -2.364   0.009   0.880  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1       -3.021  -0.442   0.243  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.770   1.406   1.075  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.201   1.508   1.628  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.260   1.070   0.641  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -5.684   1.934  -0.379  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.648   1.520  -1.300  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.191   0.241  -1.207  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -8.378  -0.269  -2.345  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -6.779  -0.629  -0.200  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -5.816  -0.215   0.722  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 10