REMARK  Name = BDB034449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.464  -0.428   0.075  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.681  -1.374  -0.290  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1        1.962  -0.706  -0.069  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1        2.045  -0.431   0.910  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1        3.084  -1.588  -0.401  0.00  0.00    +0.119 C 
BRANCH   5   8
ATOM      6  C   LIG    1        5.938   0.955  -0.598  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        4.700   0.328  -0.783  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        4.409  -0.905  -0.177  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        5.396  -1.502   0.607  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1        5.168  -2.687   1.192  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.632  -0.891   0.801  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        6.904   0.340   0.200  0.00  0.00    +0.048 A 
BRANCH   6  14
ATOM     13  C   LIG    1        7.309   2.837  -1.082  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.074   2.151  -1.246  0.00  0.00    -0.495 OA
ENDBRANCH   6  14
ENDBRANCH   5   8
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.820  -1.085  -0.186  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.887  -0.171   0.213  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -2.719   0.777  -0.117  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.240  -0.525   0.032  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -5.267   0.433   0.280  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -6.613   0.025   0.105  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -7.637   0.936   0.315  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -7.372   2.244   0.711  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1       -6.066   2.664   0.910  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1       -8.671   3.343   0.965  0.00  0.00    -0.083 Cl
ATOM     25  N   LIG    1       -6.957  -1.220  -0.250  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -5.971  -2.119  -0.419  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -5.021   1.764   0.699  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.627  -1.830  -0.280  0.00  0.00    +0.043 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8