REMARK  Name = BDB014490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.302   0.300  -1.558  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.096   0.403  -2.200  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.161   0.254  -3.204  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.329   0.221  -2.231  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.298   0.334  -0.022  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.510  -0.039   0.609  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -4.231  -1.639   0.926  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1       -2.884  -1.360   0.592  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -2.017  -2.417   0.280  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.471  -3.738   0.289  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.793  -4.019   0.609  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.664  -2.976   0.921  0.00  0.00    +0.027 A 
BRANCH   7  17
ATOM     13  C   LIG    1       -5.860   3.441   0.537  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -6.111   2.199   1.263  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -6.667   1.151   0.373  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -5.687   0.015  -0.002  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1       -5.209  -0.666   1.221  0.00  0.00    -0.325 N 
ATOM     18  C   LIG    1       -4.899   0.242   2.347  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -4.873   1.731   1.928  0.00  0.00    +0.103 C 
ENDBRANCH   7  17
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.230   0.297  -1.609  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.316   0.705  -2.611  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.300  -0.221  -3.711  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.871  -0.962  -3.423  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.739   0.744  -2.012  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.226  -0.617  -1.689  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.152  -0.913  -0.241  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.215  -0.250   0.608  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.427   0.183   0.043  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.407   0.766   0.857  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.195   0.899   2.229  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.004   0.453   2.796  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.653   0.075  -1.444  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.019  -0.122   1.992  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.619  -0.828  -2.135  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9