REMARK  Name = BDB053769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.726   1.010   0.326  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        1.189   1.926  -0.617  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.130   2.763  -0.979  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.007   2.340  -0.284  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.210   3.047  -0.452  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.187   4.130  -1.312  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.090   4.552  -1.968  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.081   3.897  -1.792  0.00  0.00    +0.137 A 
ATOM      9  C   LIG    1       -0.630   1.230   0.524  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -1.460   0.509   1.476  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1       -2.423  -0.351   0.957  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -3.211  -1.172   1.878  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -3.215  -2.647   1.441  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -3.653  -2.897   0.051  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -2.979  -3.534  -0.377  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.718  -1.659  -0.741  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.570  -0.671  -0.466  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -1.304   0.678   2.683  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1        2.517   1.971  -1.151  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.724   2.253  -2.509  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.020   2.284  -3.031  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.114   2.029  -2.207  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.915   1.738  -0.859  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.622   1.705  -0.330  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1        1.545   0.096   0.865  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1        1.306  -1.462   3.268  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        1.167  -2.038   1.888  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        1.250  -1.242   0.737  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        1.129  -1.813  -0.535  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        0.869  -3.176  -0.667  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        0.744  -3.971   0.470  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.891  -3.406   1.739  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4