REMARK  Name = BDB046554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.229  -1.411   0.059  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -0.817  -0.064   0.076  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.569   0.179   0.079  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        1.489  -0.865   0.055  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        0.981  -2.151   0.022  0.00  0.00    +0.157 A 
ATOM      6  N   LIG    1       -0.340  -2.445   0.018  0.00  0.00    -0.251 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.771  -3.163   0.087  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -5.334  -2.732   0.102  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -4.454  -3.164  -0.894  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.122  -2.737  -0.895  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.638  -1.853   0.084  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.533  -1.430   1.080  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.867  -1.854   1.083  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1       -1.742   1.083   0.060  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -2.616   1.296  -1.018  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.492   2.385  -1.031  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -3.518   3.288   0.037  0.00  0.00    -0.022 A 
ATOM     18  C   LIG    1       -2.636   3.096   1.107  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -1.761   2.006   1.118  0.00  0.00    +0.009 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.439   4.478   0.013  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.768   5.619  -0.504  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1       -2.904   5.329  -0.842  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   4  23
ATOM     23  O   LIG    1        2.801  -0.494   0.060  0.00  0.00    -0.490 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.770  -1.544   0.037  0.00  0.00    +0.232 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.183  -0.946   0.051  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        5.436  -0.029  -1.151  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        6.880   0.487  -1.153  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1        7.447   0.691   0.182  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        8.142   1.436   0.148  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.423   1.000   1.171  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        5.474  -0.187   1.362  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7