REMARK  Name = BDB057774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.705  -0.522   0.177  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -1.110  -1.057  -0.582  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.565  -0.116   1.179  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -1.293   0.462   2.223  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.977  -0.487   0.934  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.713   0.045  -0.159  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -5.035  -0.401  -0.355  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -5.817   0.025  -1.370  0.00  0.00    -0.251 NA
ATOM      9  C   LIG    1       -5.308   0.942  -2.221  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -4.035   1.464  -2.112  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.566  -1.325   0.543  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1       -4.856  -1.824   1.630  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -3.231   1.012  -1.070  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.550  -1.399   1.831  0.00  0.00    +0.017 A 
BRANCH  11  15
ATOM     15  O   LIG    1       -6.855  -1.768   0.362  0.00  0.00    -0.505 OA
ATOM     16  H   LIG    1       -7.165  -1.280  -0.432  0.00  0.00    +0.292 HD
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     17  C   LIG    1        3.492   0.046  -0.191  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1        2.795   0.588   0.899  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        1.413   0.414   1.050  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        0.686  -0.305   0.105  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.362  -0.842  -0.995  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        2.743  -0.665  -1.139  0.00  0.00    +0.006 A 
BRANCH  17  24
ATOM     23  C   LIG    1        5.925  -0.166   0.756  0.00  0.00    +0.059 C 
ATOM     24  C   LIG    1        4.980   0.251  -0.351  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        5.895  -0.940  -0.525  0.00  0.00    +0.028 C 
BRANCH  23  26
ATOM     26  N   LIG    1        7.085   0.665   1.073  0.00  0.00    -0.327 NA
ATOM     27  H   LIG    1        7.494   1.078   0.236  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        7.823   0.103   1.498  0.00  0.00    +0.118 HD
ENDBRANCH  23  26
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 5