REMARK  Name = BDB021940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.620   0.594  -0.087  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1        2.059  -0.272   0.189  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        0.248   0.618  -0.109  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -0.357  -0.636  -0.302  0.00  0.00    -0.280 N 
ATOM      5  O   LIG    1       -0.422   1.634   0.058  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.815  -0.750  -0.048  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -2.213  -0.329   1.384  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.306   0.735   1.401  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -4.439   0.336   0.568  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -5.731   0.499   1.053  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -5.978   0.944   2.173  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -6.857   0.096   0.133  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.141  -0.129  -0.785  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.658  -0.061  -1.133  0.00  0.00    +0.041 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1        3.858   1.407   0.261  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        2.510   1.691  -0.048  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        2.126   3.005  -0.324  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        3.066   4.035  -0.279  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.394   3.757   0.034  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.793   2.446   0.302  0.00  0.00    +0.047 A 
BRANCH  15  21
ATOM     21  O   LIG    1        4.139   0.082   0.505  0.00  0.00    -0.490 OA
BRANCH  21  23
ATOM     22  C   LIG    1        5.545  -1.745   1.097  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.482  -0.247   0.858  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  16
BRANCH   4  24
ATOM     24  C   LIG    1        0.376  -1.843  -0.760  0.00  0.00    +0.072 C 
ATOM     25  C   LIG    1       -0.289  -2.550  -1.945  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1        0.614  -2.805   0.403  0.00  0.00    +0.028 C 
ENDBRANCH   4  24
TORSDOF 5