REMARK  Name = BDB028517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.535  -1.526   0.861  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.354  -0.682   0.508  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.646  -1.003   0.127  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        3.733  -0.025  -0.046  0.00  0.00    +0.136 C 
ATOM      5  C   LIG    1        5.091  -0.602   0.372  0.00  0.00    +0.124 C 
ATOM      6  C   LIG    1        5.436  -1.880  -0.410  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1        4.196  -2.635  -0.896  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1        2.993  -2.417   0.015  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.063   0.658   0.464  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        1.498   1.137  -0.312  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        6.154   0.389   0.288  0.00  0.00    -0.267 N 
ATOM     12  N   LIG    1        6.317   1.117  -0.834  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        7.367   1.895  -0.558  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        7.873   1.672   0.734  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        7.068   0.689   1.259  0.00  0.00    +0.108 A 
ENDBRANCH   5  11
BRANCH   9  16
ATOM     16  C   LIG    1       -0.289   1.117   0.760  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.222   0.926  -0.448  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.712   1.706  -1.549  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.786   2.645  -1.305  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.678   1.359  -0.155  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.318   0.727   1.010  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.676   1.261   1.235  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.741   0.717   0.305  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.565  -0.514  -0.353  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.580  -1.012  -1.182  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.771  -0.304  -1.339  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.956   0.905  -0.673  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.265  -1.269  -0.220  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.948   1.413   0.148  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.393  -0.744   0.930  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 6