REMARK  Name = BDB040081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.975  -0.616  -0.696  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.271   0.003  -0.498  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.472  -0.458  -1.090  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        1.370  -1.605  -1.896  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.150  -2.243  -2.110  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.011  -1.750  -1.516  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.754  -0.058   0.713  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -4.390   0.078   0.522  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -3.459  -0.763  -0.281  0.00  0.00    +0.153 C 
ATOM     10  N   LIG    1       -2.162  -0.121  -0.090  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.275   1.002   0.738  0.00  0.00    +0.252 C 
ATOM     12  O   LIG    1       -1.438   1.796   1.128  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.687   1.116   1.119  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -4.294   2.059   1.926  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.668   1.936   2.128  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.393   0.886   1.527  0.00  0.00    +0.046 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -7.745  -1.269   0.263  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.343  -1.112   0.079  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1        2.887   0.283  -0.830  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        2.868   1.841  -0.819  0.00  0.00    +0.177 C 
ATOM     21  O   LIG    1        4.015   1.887  -1.709  0.00  0.00    -0.378 OA
ATOM     22  C   LIG    1        3.781   0.507  -2.077  0.00  0.00    +0.177 C 
BRANCH  19  23
ATOM     23  C   LIG    1        3.609  -0.415   0.334  0.00  0.00    +0.248 C 
ATOM     24  F   LIG    1        3.974  -1.660  -0.110  0.00  0.00    -0.236 F 
BRANCH  23  25
ATOM     25  C   LIG    1        4.781   0.280   0.945  0.00  0.00    +0.168 A 
ATOM     26  N   LIG    1        6.099  -0.074   0.802  0.00  0.00    -0.318 N 
ATOM     27  C   LIG    1        6.654  -1.181   0.073  0.00  0.00    +0.151 C 
ATOM     28  C   LIG    1        6.813   0.815   1.548  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        5.995   1.648   2.142  0.00  0.00    -0.138 NA
ATOM     30  N   LIG    1        4.718   1.304   1.776  0.00  0.00    -0.132 NA
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  19
TORSDOF 5