REMARK  Name = BDB017830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.125   2.022   0.869  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.187   1.904   0.148  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.286   2.855  -0.872  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        1.396   2.904  -1.693  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.427   1.984  -1.468  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.346   1.016  -0.442  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.951   3.695  -0.939  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.201   0.980   0.370  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.565   3.439   0.446  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.450   0.081  -0.263  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.598   0.108  -1.055  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.333  -0.865  -0.590  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.654  -1.453  -0.880  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.898  -2.307   0.391  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.506  -2.586   0.990  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.721  -1.505   0.438  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.528  -0.935   0.683  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -3.219   0.730   1.091  0.00  0.00    +0.263 C 
ATOM     19  N   LIG    1       -2.046   1.005   0.427  0.00  0.00    -0.303 N 
ATOM     20  H   LIG    1       -1.900   0.543  -0.468  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -3.555   1.266   2.140  0.00  0.00    -0.269 OA
BRANCH  18  25
ATOM     22  C   LIG    1       -7.395  -2.046   0.936  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -6.075  -1.628   0.363  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1       -5.288  -0.672   1.008  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.085  -0.292   0.420  0.00  0.00    +0.127 A 
ATOM     26  N   LIG    1       -3.623  -0.786  -0.759  0.00  0.00    -0.231 NA
ATOM     27  C   LIG    1       -4.415  -1.694  -1.358  0.00  0.00    +0.130 A 
ATOM     28 CL   LIG    1       -3.809  -2.289  -2.848  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1       -5.629  -2.141  -0.857  0.00  0.00    +0.043 A 
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 3