REMARK  Name = BDB040389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.863   2.581  -1.853  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1       -0.960   3.206  -1.010  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.141   3.162  -0.016  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.611   2.360  -3.035  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -4.129   1.506  -2.222  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -3.189   2.138  -1.175  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -3.890   3.407  -0.641  0.00  0.00    +0.025 C 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.842   1.097  -0.092  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -3.193   1.199   1.204  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -2.766   0.190   2.213  0.00  0.00    +0.252 A 
ATOM     11  O   LIG    1       -3.110   0.324   3.383  0.00  0.00    -0.268 OA
ATOM     12  N   LIG    1       -1.961  -0.839   1.743  0.00  0.00    -0.307 N 
ATOM     13  C   LIG    1       -1.637  -0.963   0.407  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1       -2.048  -0.061  -0.491  0.00  0.00    +0.022 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -1.534  -1.878   2.689  0.00  0.00    +0.238 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.518  -3.034   2.837  0.00  0.00    +0.407 C 
ATOM     17  F   LIG    1       -2.654  -3.718   1.676  0.00  0.00    -0.169 F 
ATOM     18  F   LIG    1       -2.074  -3.915   3.766  0.00  0.00    -0.169 F 
ATOM     19  F   LIG    1       -3.747  -2.629   3.220  0.00  0.00    -0.169 F 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1        0.418   3.395  -1.405  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.240   2.208  -0.969  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        1.329   1.071  -1.776  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.025  -0.068  -1.347  0.00  0.00    +0.047 A 
ATOM     24 CL   LIG    1        2.047  -1.397  -2.457  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        2.658  -0.111  -0.086  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.569   1.051   0.710  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1        3.323   1.178   2.265  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        1.866   2.186   0.279  0.00  0.00    +0.025 A 
BRANCH  25  29
ATOM     29  C   LIG    1        3.424  -1.338   0.407  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1        2.603  -2.626   0.373  0.00  0.00    +0.227 C 
ATOM     31  O   LIG    1        1.405  -2.667   0.652  0.00  0.00    -0.275 OA
ATOM     32  N   LIG    1        3.292  -3.783   0.098  0.00  0.00    -0.256 N 
ATOM     33  H   LIG    1        2.744  -4.633   0.092  0.00  0.00    +0.157 HD
ATOM     34  C   LIG    1        4.652  -3.961   0.071  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1        5.142  -5.085   0.018  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1        5.498  -2.719   0.208  0.00  0.00    +0.097 C 
ATOM     37  C   LIG    1        4.767  -1.494  -0.316  0.00  0.00    +0.027 C 
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7