REMARK  Name = BDB024078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.154   0.054  -0.664  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -1.267  -0.243   0.353  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -1.651  -0.613   1.217  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.844   0.503  -1.763  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -5.900  -0.115  -1.211  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -4.530   0.099  -1.410  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -3.603  -0.195  -0.394  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -4.077  -0.706   0.817  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -3.236  -1.004   1.819  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -5.439  -0.922   1.024  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -6.352  -0.627   0.010  0.00  0.00    +0.022 A 
BRANCH   5  13
ATOM     12  N   LIG    1       -7.606   0.429  -3.088  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1       -6.837   0.188  -2.253  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.135  -0.088   0.325  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        0.873   0.400  -0.746  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.226   0.536  -0.741  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        2.908   0.184   0.376  0.00  0.00    +0.073 A 
ATOM     18  C   LIG    1        2.242  -0.323   1.491  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        0.851  -0.456   1.462  0.00  0.00    +0.027 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.371   0.360   0.313  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1        5.161   0.574   1.444  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        6.510   0.730   1.442  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        7.121   0.686   0.241  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.448   0.494  -0.951  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.063   0.332  -0.908  0.00  0.00    +0.013 A 
ENDBRANCH  17  20
ENDBRANCH   2  14
TORSDOF 4