REMARK  Name = BDB042682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.946   1.915  -1.029  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.876   0.236  -1.032  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1        1.740   0.161  -2.064  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1        0.397  -0.092  -1.384  0.00  0.00    +0.088 C 
ATOM      5  N   LIG    1        0.012   0.968  -0.432  0.00  0.00    -0.302 NA
ATOM      6  C   LIG    1        1.169   1.658   0.162  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        2.367   0.731   0.329  0.00  0.00    +0.060 C 
BRANCH   2   8
ATOM      8  O   LIG    1        3.418  -1.085  -0.897  0.00  0.00    -0.489 OA
BRANCH   8  12
ATOM      9  C   LIG    1        7.275  -1.907   0.455  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        6.378  -2.918   0.104  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        5.097  -2.587  -0.343  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.695  -1.251  -0.447  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.592  -0.243  -0.095  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.878  -0.570   0.354  0.00  0.00    +0.022 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.660  -2.496   1.288  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.592  -2.236   0.915  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.614   2.860  -0.015  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.235   2.193   1.223  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.234   1.102   0.926  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -2.717  -0.117   0.554  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -1.706  -0.209   0.449  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -3.455  -1.237   0.237  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -2.909  -2.272  -0.126  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -4.927  -1.099   0.356  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.457   0.140   0.755  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -6.845   0.291   0.874  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.696  -0.782   0.596  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.163  -2.008   0.199  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.783  -2.163   0.080  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -5.318  -3.360  -0.304  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.560   1.263   1.044  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7