REMARK  Name = BDB021367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.872  -0.298  -0.138  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -2.225   0.065   1.079  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.896   0.441   0.995  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.476   0.729   2.274  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.581   0.526   3.069  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.182   0.473  -0.221  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.786   0.123  -1.323  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.658   0.112   2.325  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -2.114  -0.241  -1.255  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.272  -2.433   1.565  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1       -4.848  -1.607   0.526  0.00  0.00    -0.265 N 
ATOM     12  C   LIG    1       -4.244  -0.661  -0.278  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -5.238  -0.230  -1.140  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.389  -0.954  -0.780  0.00  0.00    +0.162 A 
ATOM     15  N   LIG    1       -6.154  -1.802   0.226  0.00  0.00    -0.160 NA
BRANCH  14  16
ATOM     16  C   LIG    1       -7.695  -0.871  -1.366  0.00  0.00    +0.121 C 
ATOM     17  N   LIG    1       -8.736  -0.775  -1.873  0.00  0.00    -0.189 NA
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1       -1.664   0.689   4.489  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1       -1.694   0.825   5.642  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1        1.139   0.866  -0.202  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.437   1.455   0.568  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.851   1.155  -1.436  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.312   1.322  -1.138  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.141   0.241  -0.851  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.822  -1.202  -0.730  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.242  -1.767  -0.703  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.152  -0.733  -0.263  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.482   0.429  -0.542  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.060   1.682  -0.501  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.251   2.780  -0.792  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.898   2.594  -1.104  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.146   3.675  -1.355  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6