REMARK  Name = BDB025416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.149  -0.623   1.597  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        3.980  -0.086   1.084  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.386  -0.791  -0.058  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        1.983  -0.355  -0.270  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.375   0.709   0.422  0.00  0.00    +0.072 A 
ATOM      6  N   LIG    1        0.118   0.936   0.044  0.00  0.00    -0.167 NA
ATOM      7  N   LIG    1       -0.125  -0.015  -0.911  0.00  0.00    -0.185 N 
ATOM      8  C   LIG    1       -1.385  -0.123  -1.541  0.00  0.00    +0.257 C 
ATOM      9  O   LIG    1       -1.556  -0.995  -2.393  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.072   1.489   1.473  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1        1.014  -0.805  -1.136  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        3.591   1.318   1.314  0.00  0.00    +0.117 C 
ATOM     13  O   LIG    1        5.613  -1.702   1.247  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -2.444   0.876  -1.086  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -3.420   0.244  -0.109  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -4.728  -0.085  -0.507  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -5.608  -0.628   0.440  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.189  -0.899   1.743  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.887  -0.599   2.127  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -5.230   0.257  -1.771  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -5.982  -0.363  -2.060  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -4.244   0.483  -2.816  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -3.010  -0.024   1.210  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -3.167   1.438  -2.322  0.00  0.00    +0.036 C 
ENDBRANCH   8  14
BRANCH  11  25
ATOM     25  N   LIG    1        1.064  -1.796  -2.058  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        0.194  -2.099  -2.510  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        1.765  -2.530  -2.014  0.00  0.00    +0.144 HD
ENDBRANCH  11  25
BRANCH   1  29
ATOM     28  C   LIG    1        6.931  -0.353   3.093  0.00  0.00    +0.282 C 
ATOM     29  O   LIG    1        5.727   0.175   2.535  0.00  0.00    -0.454 OA
ENDBRANCH   1  29
TORSDOF 3