REMARK  Name = BDB001124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.775  -2.318  -0.951  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.952  -1.919  -1.846  0.00  0.00    +0.075 C 
BRANCH   2  12
ATOM      3  O   LIG    1       -2.703   2.290   0.142  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -3.180   1.220  -0.217  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -4.576   0.852   0.077  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -4.999  -0.434  -0.279  0.00  0.00    +0.096 A 
ATOM      7  C   LIG    1       -6.329  -0.783   0.008  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -7.196   0.127   0.627  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -6.749   1.402   0.973  0.00  0.00    +0.002 A 
ATOM     10 CL   LIG    1       -6.952  -2.347  -0.389  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1       -4.124  -1.355  -0.896  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -2.920  -0.974  -1.170  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -5.434   1.769   0.699  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.453   0.276  -0.891  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -1.463   0.476  -1.031  0.00  0.00    +0.170 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.491  -1.473  -1.176  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.324  -0.061  -0.782  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.283   0.814  -1.491  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        2.760   0.545  -1.149  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        2.979   0.386   0.336  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        1.927   0.197   1.155  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        0.502   0.124   0.678  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.362   0.444   0.851  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        4.673   1.200   1.994  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        5.985   1.267   2.472  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        6.992   0.583   1.806  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        8.249   0.647   2.262  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.713  -0.166   0.670  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        5.401  -0.233   0.192  0.00  0.00    +0.011 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5