REMARK  Name = BDB046775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.143  -0.789  -2.084  0.00  0.00    -0.422 OA
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -5.270   1.049  -2.031  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -4.346   0.572  -1.384  0.00  0.00    +0.263 A 
ATOM      4  C   LIG    1       -4.404   0.447   0.074  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -3.305  -0.110   0.711  0.00  0.00    +0.170 A 
ATOM      6  N   LIG    1       -3.249  -0.266   2.052  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -4.324   0.143   2.765  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -5.460   0.707   2.203  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1       -2.169  -0.551   0.026  0.00  0.00    -0.176 NA
ATOM     10  C   LIG    1       -2.156  -0.412  -1.256  0.00  0.00    +0.306 A 
ATOM     11  C   LIG    1       -5.502   0.864   0.822  0.00  0.00    +0.018 A 
ATOM     12  N   LIG    1       -3.193   0.122  -1.966  0.00  0.00    -0.276 N 
ATOM     13  H   LIG    1       -3.114   0.193  -2.969  0.00  0.00    +0.173 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.049  -1.203  -1.607  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1        0.655  -0.917  -0.409  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1        1.868  -1.550  -0.442  0.00  0.00    -0.263 N 
ATOM     17  N   LIG    1        2.094  -2.214  -1.599  0.00  0.00    -0.176 NA
ATOM     18  C   LIG    1        0.985  -1.983  -2.310  0.00  0.00    +0.180 A 
BRANCH  16  19
ATOM     19  C   LIG    1        2.850  -1.595   0.633  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.619  -0.301   0.740  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        3.384   0.586   1.801  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.096   1.782   1.893  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.047   2.106   0.927  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.287   1.234  -0.133  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.577   0.037  -0.227  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  14
TORSDOF 4