REMARK  Name = BDB021358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.911  -0.289   0.476  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.116  -0.448  -0.698  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.256  -0.388  -0.537  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.819  -0.619  -1.770  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.755  -0.769  -2.628  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.865  -0.172   0.711  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.132  -0.068   1.785  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.439  -0.660  -1.961  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.238  -0.132   1.638  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.227  -0.418   0.492  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1        4.548   0.613   1.167  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        3.143   0.651   1.162  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.393  -0.332   0.498  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.078  -1.349  -0.177  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.474  -1.395  -0.179  0.00  0.00    +0.007 A 
BRANCH  11  16
ATOM     16  C   LIG    1        5.253   1.640   1.886  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1        5.785   2.462   2.510  0.00  0.00    -0.191 NA
ENDBRANCH  11  16
BRANCH  10  18
ATOM     18  C   LIG    1        6.742  -0.488   0.451  0.00  0.00    +0.120 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.770   0.700  -0.067  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        7.335   0.598  -0.342  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1        7.114   0.413  -1.778  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  22
ATOM     22  C   LIG    1       -0.811  -1.027  -4.035  0.00  0.00    +0.121 C 
ATOM     23  N   LIG    1       -0.899  -1.239  -5.174  0.00  0.00    -0.189 NA
ENDBRANCH   5  22
BRANCH   6  24
ATOM     24  N   LIG    1       -3.237  -0.096   0.824  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.455  -0.151   1.820  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.928   1.078   0.293  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.396   0.988   0.597  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.223   0.017   0.038  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.922  -1.049  -0.948  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.213  -1.862  -0.840  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.262  -1.012  -0.324  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.583  -0.014   0.323  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.183   0.901   1.165  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.372   1.873   1.748  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -6.001   1.909   1.463  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -5.257   2.865   2.037  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 8