REMARK  Name = BDB018243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.596  -1.754  -0.490  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -2.030  -1.579  -0.768  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1       -2.786  -2.627  -1.139  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1       -2.200  -3.984  -1.272  0.00  0.00    +0.255 A 
ATOM      5  O   LIG    1       -2.925  -4.912  -1.619  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -0.848  -4.091  -0.981  0.00  0.00    -0.317 N 
ATOM      7  C   LIG    1       -0.195  -5.386  -1.093  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -0.086  -2.997  -0.608  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1        1.762   0.597   0.880  0.00  0.00    -0.264 N 
ATOM     10  N   LIG    1        1.226   1.412  -0.056  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1        0.309   0.647  -0.656  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.247  -0.654  -0.112  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.202  -0.655   0.881  0.00  0.00    +0.117 A 
BRANCH   9  15
ATOM     14  C   LIG    1        2.800   2.577   2.028  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        2.820   1.065   1.783  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.185   0.588   1.308  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1        4.985  -0.205   2.147  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        6.242  -0.642   1.725  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.716  -0.293   0.463  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.935   0.495  -0.380  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.679   0.934   0.040  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  22
ATOM     22  O   LIG    1       -2.485  -0.289  -0.592  0.00  0.00    -0.485 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.875  -0.010  -0.793  0.00  0.00    +0.286 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.190   1.435  -0.551  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1       -5.397   1.927  -0.872  0.00  0.00    -0.173 NA
ATOM     26  N   LIG    1       -5.324   3.225  -0.524  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1       -6.464   4.082  -0.738  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1       -4.122   3.578   0.011  0.00  0.00    +0.108 A 
ATOM     29  C   LIG    1       -3.359   2.435   0.011  0.00  0.00    +0.048 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6