REMARK  Name = BDB057082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.632   1.347  -0.300  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.952   0.878  -0.387  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.079  -0.494  -0.349  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.271  -1.010  -0.651  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.899   1.652  -0.504  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.556   0.510   0.001  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -1.566   1.153   0.962  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -2.751   0.217   1.206  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1       -3.381  -0.157  -0.059  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1       -2.463  -0.820  -0.983  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -1.261   0.074  -1.290  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.672  -0.837   0.096  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.809  -1.984   1.111  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.978  -3.218   0.808  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        3.272  -1.238  -0.238  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.194  -2.617  -0.473  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.332  -3.438  -0.376  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.556  -2.860  -0.015  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.638  -1.491   0.232  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.501  -0.685   0.124  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.224  -4.922  -0.618  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        3.269  -5.242  -1.536  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        5.379  -5.480  -1.074  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        3.896  -5.607   0.512  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.436   2.775  -0.587  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.701   3.667   0.630  0.00  0.00    +0.019 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -0.795   5.610  -0.070  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        0.607   5.161   0.312  0.00  0.00    -0.002 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8