REMARK  Name = BDB052425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.838   4.307   1.311  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.423   3.852   0.835  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.706   4.551   0.534  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.532   3.782  -0.528  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -2.465   2.281  -0.393  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -1.354   1.645   0.137  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -1.212   0.316   0.232  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1       -2.224  -0.431  -0.238  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1       -3.333   0.091  -0.787  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -3.431   1.431  -0.863  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -0.289   2.487   0.653  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        1.000   2.191   0.989  0.00  0.00    -0.260 N 
ATOM     13  N   LIG    1        1.699   3.275   1.389  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  17
ATOM     14  N   LIG    1        0.254   6.462   2.213  0.00  0.00    -0.324 N 
ATOM     15  H   LIG    1        0.594   7.313   2.643  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -0.549   6.023   2.640  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1        1.246   5.669   1.692  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        2.389   6.110   1.608  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
BRANCH   8  19
ATOM     19  N   LIG    1       -2.039  -1.804  -0.110  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -1.157  -1.975   0.348  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.786  -2.930  -0.473  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -2.269  -4.202  -0.172  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -2.962  -5.369  -0.507  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.191  -5.286  -1.152  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.721  -4.037  -1.460  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.023  -2.871  -1.121  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   8  19
BRANCH  12  27
ATOM     27  C   LIG    1        1.684   0.908   0.940  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.186   0.592  -0.476  0.00  0.00    +0.107 C 
BRANCH  28  29
ATOM     29  N   LIG    1        2.865  -0.701  -0.669  0.00  0.00    -0.301 NA
ATOM     30  C   LIG    1        4.200  -0.755  -0.064  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1        4.700  -2.184   0.193  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        4.192  -3.151  -0.867  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        2.664  -3.129  -0.950  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        2.040  -1.861  -0.356  0.00  0.00    +0.084 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 6