REMARK  Name = BDB021378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.783   0.569  -0.129  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.151  -0.169   0.926  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.770  -0.162   0.962  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.386  -0.866   2.079  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.558  -1.307   2.645  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.013   0.502   0.003  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.562   1.179  -0.950  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.646  -0.881   1.924  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.942   1.188  -0.991  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.587  -0.627  -0.156  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.339   0.087  -0.280  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        6.349   1.380  -0.653  0.00  0.00    -0.160 NA
ATOM     13  C   LIG    1        5.053   1.729  -0.629  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1        4.213   0.642  -0.275  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        5.088  -0.403  -0.053  0.00  0.00    +0.118 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.692   3.084  -0.931  0.00  0.00    +0.122 C 
ATOM     17  N   LIG    1        4.354   4.167  -1.184  0.00  0.00    -0.189 NA
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        1.704  -2.101   3.827  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        1.798  -2.753   4.784  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.386   0.464   0.078  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.747   1.216  -0.508  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.078  -0.767  -0.289  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.535  -0.638   0.035  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.444  -0.010  -0.811  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.236   0.669  -2.114  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.693   0.826  -2.550  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.542   0.781  -1.381  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.780   0.124  -0.450  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.272  -0.347   0.750  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.381  -0.985   1.612  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.034  -1.123   1.253  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.203  -1.735   2.110  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6