REMARK  Name = BDB029656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.736  -1.891  -1.041  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.242  -0.578  -1.525  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.927   0.028  -0.716  0.00  0.00    +0.122 C 
ATOM      4  N   LIG    1        2.047  -0.934  -0.604  0.00  0.00    -0.314 N 
ATOM      5  C   LIG    1        1.611  -2.254  -0.092  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1        0.426  -2.803  -0.917  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.323  -0.482  -0.255  0.00  0.00    +0.104 A 
ATOM      8  N   LIG    1        4.433  -0.803  -1.036  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1        4.231  -1.567  -2.261  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1        5.737  -0.411  -0.716  0.00  0.00    +0.265 A 
ATOM     11  O   LIG    1        6.722  -0.721  -1.391  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        5.916   0.422   0.513  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1        4.825   0.727   1.232  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        3.520   0.267   0.846  0.00  0.00    +0.043 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.232   0.941   0.996  0.00  0.00    +0.249 C 
ATOM     16  N   LIG    1        8.310   0.674   0.192  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1        8.168   0.075  -0.622  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        9.654   1.024   0.569  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        7.330   1.562   2.052  0.00  0.00    -0.270 OA
ENDBRANCH  12  15
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.474  -1.795   0.227  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.936   1.756   0.377  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -5.985   2.313   1.395  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -6.272   3.281   2.091  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -4.768   1.694   1.518  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -4.144   2.082   2.212  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.385   0.596   0.739  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -5.260   0.083  -0.216  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -4.973  -0.971  -1.007  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -3.752  -1.532  -0.836  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.802  -1.092   0.089  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.139   0.000   0.897  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -6.567   0.708  -0.382  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -9.241   2.050   1.333  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.267   2.440   0.230  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5