REMARK  Name = BDB049232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.988  -0.726  -0.132  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.315  -1.967  -0.522  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        1.184  -1.601  -0.450  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        1.227  -0.632   0.774  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -0.250  -0.282   1.060  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.074   0.613   0.553  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1        3.150   0.889   1.410  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        3.934   2.030   1.226  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        3.649   2.913   0.187  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.578   2.658  -0.666  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        1.794   1.518  -0.483  0.00  0.00    +0.004 A 
ENDBRANCH   4   6
BRANCH   3  12
ATOM     12  N   LIG    1        2.075  -2.789  -0.350  0.00  0.00    -0.304 NA
ATOM     13  C   LIG    1        1.910  -3.676  -1.507  0.00  0.00    +0.104 C 
ATOM     14  C   LIG    1        3.485  -2.393  -0.255  0.00  0.00    +0.104 C 
ENDBRANCH   3  12
BRANCH   1  15
ATOM     15  C   LIG    1       -2.417  -0.934   0.125  0.00  0.00    +0.122 C 
BRANCH  15  18
ATOM     16  C   LIG    1       -2.767   1.228  -1.968  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -3.342   1.358  -0.583  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1       -3.166   0.354   0.396  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.707   0.564   1.673  0.00  0.00    +0.128 A 
ATOM     20  F   LIG    1       -3.560  -0.370   2.625  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -4.399   1.727   1.995  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -4.562   2.717   1.034  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -4.033   2.535  -0.244  0.00  0.00    +0.004 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4