REMARK  Name = BDB021330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.915  -0.234  -0.355  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.099  -1.090  -1.147  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.246  -0.782  -1.201  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.833  -1.677  -2.065  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.817  -2.520  -2.450  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.810   0.292  -0.489  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.052   1.074   0.230  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.375  -2.159  -1.871  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.296   0.781   0.284  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.127  -0.805   0.304  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -4.684   0.266  -0.488  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -3.318   0.473  -0.745  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -2.914   1.638  -1.608  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.373  -0.401  -0.171  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1       -2.820  -1.480   0.610  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -4.181  -1.681   0.844  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     17  C   LIG    1       -6.608  -1.023   0.540  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -7.274   0.124   1.184  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -8.726  -0.053   1.139  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -6.837   0.284   2.573  0.00  0.00    +0.104 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1        0.912  -3.639  -3.339  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        1.025  -4.543  -4.060  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1        3.161   0.542  -0.563  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.316   1.488  -0.218  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.079  -0.351   0.137  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.492   0.016  -0.203  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.181   1.042   0.440  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.739   1.980   1.500  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        7.092   2.580   1.883  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.008   2.418   0.777  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        7.476   1.377   0.063  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.141   0.726  -0.957  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.473  -0.309  -1.611  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        6.167  -0.651  -1.234  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.553  -1.647  -1.890  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7