REMARK  Name = BDB025442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.445  -0.759   0.804  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.596   0.310  -0.108  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.705   1.114  -0.480  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -2.604   1.884  -1.435  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -0.389   0.595  -0.704  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1        0.501  -0.182  -0.093  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1        1.964  -0.148  -0.401  0.00  0.00    +0.168 C 
ATOM      8  N   LIG    1        2.677  -1.210   0.334  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        2.179  -1.584   1.666  0.00  0.00    +0.116 C 
ATOM     10  C   LIG    1        0.698  -2.000   1.650  0.00  0.00    +0.059 C 
ATOM     11  C   LIG    1        3.992  -1.508   0.018  0.00  0.00    +0.404 C 
ATOM     12  O   LIG    1        4.712  -2.223   0.707  0.00  0.00    -0.226 OA
ATOM     13  C   LIG    1       -0.096  -1.024   0.862  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  14
ATOM     14  C   LIG    1       -3.953   0.988   0.364  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -5.052   0.134  -0.257  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -6.398   0.418   0.057  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -7.409  -0.381  -0.494  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -7.106  -1.474  -1.304  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.780  -1.768  -1.597  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -6.769   1.562   0.771  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -7.651   1.464   1.267  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -5.744   2.297   1.488  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -4.760  -0.969  -1.081  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.487   2.405   0.642  0.00  0.00    +0.036 C 
ENDBRANCH   3  14
BRANCH   1  25
ATOM     25  N   LIG    1       -2.430  -1.405   1.480  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -3.364  -1.510   1.086  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -2.182  -2.257   1.984  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
BRANCH  11  28
ATOM     28  O   LIG    1        4.390  -0.919  -1.139  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.755  -1.129  -1.516  0.00  0.00    +0.269 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.585   0.044  -1.062  0.00  0.00    -0.010 A 
ATOM     31  C   LIG    1        7.328  -0.028   0.124  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        8.080   1.066   0.555  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.090   2.244  -0.190  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.344   2.331  -1.364  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.591   1.238  -1.797  0.00  0.00    +0.007 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5