REMARK  Name = BDB027648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.523  -0.785  -0.252  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.983  -1.630  -1.280  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.370  -1.750  -1.383  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.839  -2.585  -2.386  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.078  -3.284  -3.268  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.748  -3.136  -3.152  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.221  -1.104  -0.576  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.690  -0.303   0.360  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.159  -2.336  -2.191  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.372  -0.120   0.544  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.619   0.417   1.252  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.156   1.208   2.314  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.068   1.865   3.126  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.403   1.794   2.963  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.845   1.033   1.943  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.010   0.340   1.080  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.863  -0.613  -0.088  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.281  -1.543  -0.011  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.450   0.289   0.929  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1       -1.157  -0.238   2.351  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -0.935   1.730   0.794  0.00  0.00    +0.031 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.007   0.234   0.747  0.00  0.00    +0.059 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.510   1.979  -1.097  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.631   0.524  -0.644  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1       -5.119   0.145  -0.607  0.00  0.00    +0.041 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -3.026  -0.305  -1.639  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1       -2.059  -0.182  -1.536  0.00  0.00    +0.210 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6