REMARK  Name = BDB029549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.010  -0.314   1.315  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.349  -1.129   0.462  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.532  -2.182   0.051  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.845  -2.908  -1.175  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        2.325  -3.268  -1.250  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        3.162  -2.041  -1.021  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        4.431  -1.919  -1.593  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        5.210  -0.784  -1.344  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.757   0.232  -0.495  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.479   0.111   0.065  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.690  -1.020  -0.183  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.494   1.415  -0.268  0.00  0.00    -0.341 N 
ATOM     13  H   LIG    1        5.206   1.874   0.594  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.871   1.631  -0.616  0.00  0.00    +0.070 C 
ATOM     15  C   LIG    1        7.859   0.999   0.391  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1        7.888   2.344   1.142  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        7.382   3.014  -0.151  0.00  0.00    +0.022 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  18
ATOM     18  C   LIG    1       -0.837  -2.247   0.573  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.806  -1.254  -0.102  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.964  -1.647  -1.476  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.493  -0.971  -1.995  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.178  -1.286   0.617  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.062  -0.131   0.329  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.174  -0.119   1.306  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.238   0.921   1.028  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.383   1.478  -0.253  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.397   2.414  -0.495  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.279   2.777   0.522  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.150   2.213   1.789  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.407   1.116  -1.339  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.137   1.287   2.041  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.617  -0.166  -1.033  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7