REMARK  Name = BDB058748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.309  -0.376  -0.805  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1       -2.886  -0.487  -0.746  0.00  0.00    +0.095 A 
ATOM      3  C   LIG    1       -2.140   0.316   0.121  0.00  0.00    +0.148 A 
ATOM      4  N   LIG    1       -0.794   0.296   0.148  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1       -0.159  -0.561  -0.670  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -0.785  -1.382  -1.530  0.00  0.00    -0.234 NA
ATOM      7  N   LIG    1       -2.767   1.242   0.982  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1       -4.163   0.869   1.357  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -4.872   2.056   2.068  0.00  0.00    +0.195 C 
ATOM     10  O   LIG    1       -4.715   3.310   1.384  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -3.325   3.634   1.266  0.00  0.00    +0.179 C 
ATOM     12  C   LIG    1       -4.114  -0.301   2.366  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.615   2.594   0.400  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.133  -1.324  -1.547  0.00  0.00    +0.140 A 
ATOM     15  C   LIG    1       -4.995   0.388   0.144  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -6.216   0.545   0.074  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  17
ATOM     17  C   LIG    1        1.317  -0.592  -0.629  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        2.048   0.234   0.245  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        3.450   0.210   0.287  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.168  -0.648  -0.543  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.462  -1.474  -1.422  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.061  -1.446  -1.462  0.00  0.00    +0.013 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.574  -0.726  -0.570  0.00  0.00    -0.269 N 
ATOM     24  H   LIG    1        5.973  -1.411  -1.193  0.00  0.00    +0.156 HD
ATOM     25  C   LIG    1        6.468  -0.111   0.286  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1        7.774  -0.351  -0.118  0.00  0.00    -0.296 N 
ATOM     27  H   LIG    1        7.902  -0.524  -1.104  0.00  0.00    +0.151 HD
ATOM     28  O   LIG    1        6.193   0.546   1.282  0.00  0.00    -0.253 OA
BRANCH  26  29
ATOM     29  C   LIG    1        8.886   0.213   0.587  0.00  0.00    +0.075 C 
ATOM     30  C   LIG    1       10.286   0.052   0.062  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1        9.625   1.398   0.030  0.00  0.00    +0.024 C 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   5  17
BRANCH   1  32
ATOM     32  C   LIG    1       -5.079  -1.002  -1.887  0.00  0.00    +0.189 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -6.542  -2.557  -0.439  0.00  0.00    +0.087 C 
ATOM     34  C   LIG    1       -5.580  -2.422  -1.598  0.00  0.00    +0.262 C 
ATOM     35  F   LIG    1       -4.514  -3.241  -1.382  0.00  0.00    -0.204 F 
ATOM     36  F   LIG    1       -6.187  -2.897  -2.721  0.00  0.00    -0.204 F 
ENDBRANCH  32  34
ENDBRANCH   1  32
TORSDOF 5