REMARK  Name = BDB040487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.586   1.140   1.240  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1       -0.628   1.762   0.464  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.765   1.817  -0.537  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.459   1.013   2.456  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.620  -3.225   0.572  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -3.450  -2.354   0.638  0.00  0.00    -0.305 NA
ATOM      7  C   LIG    1       -3.233  -1.671  -0.640  0.00  0.00    +0.085 C 
ATOM      8  C   LIG    1       -2.253  -0.508  -0.488  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.814   0.605   0.448  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -3.848  -0.013   1.433  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -3.494  -1.455   1.798  0.00  0.00    +0.085 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -3.525   1.777  -0.270  0.00  0.00    -0.032 A 
ATOM     13  C   LIG    1       -3.957   1.707  -1.606  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -4.608   2.789  -2.208  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -4.843   3.946  -1.480  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1       -5.467   4.979  -2.061  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -4.447   4.042  -0.155  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -3.798   2.963   0.448  0.00  0.00    +0.007 A 
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        0.633   2.206   1.006  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.714   1.204   0.697  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        2.603   1.403  -0.360  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.588   0.450  -0.674  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1        4.630   0.896  -1.979  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.704  -0.754   0.051  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.804  -0.926   1.132  0.00  0.00    +0.047 A 
ATOM     26 CL   LIG    1        2.847  -2.316   2.169  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        1.827   0.030   1.441  0.00  0.00    +0.025 A 
BRANCH  24  28
ATOM     28  C   LIG    1        4.733  -1.849  -0.240  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1        5.040  -2.111  -1.708  0.00  0.00    +0.227 C 
ATOM     30  O   LIG    1        4.172  -2.433  -2.517  0.00  0.00    -0.275 OA
ATOM     31  N   LIG    1        6.345  -1.958  -2.110  0.00  0.00    -0.256 N 
ATOM     32  H   LIG    1        6.517  -2.130  -3.091  0.00  0.00    +0.157 HD
ATOM     33  C   LIG    1        7.340  -1.274  -1.460  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1        8.383  -0.977  -2.035  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1        7.050  -0.838  -0.045  0.00  0.00    +0.097 C 
ATOM     36  C   LIG    1        6.009  -1.732   0.604  0.00  0.00    +0.027 C 
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5