REMARK  Name = BDB028863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.221   3.980  -0.908  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.033   2.650  -0.582  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.278   2.152  -0.201  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.444   0.803   0.196  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.355   0.015   0.195  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.955   0.617  -0.221  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.242   3.119  -0.244  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.087   1.869  -0.591  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.597   4.200  -0.680  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.484   5.476  -2.790  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.810   4.955  -1.389  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.985   6.120  -0.411  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.118  -0.117  -0.247  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.903   0.505  -0.423  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.412  -1.212   0.661  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.809  -1.788   0.373  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.178  -2.888   1.379  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -5.586  -3.458   1.087  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -5.983  -3.463  -0.326  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -6.496  -2.606  -0.539  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -4.821  -3.551  -1.204  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -3.924  -2.317  -1.074  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.118  -2.377   2.709  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -4.852  -1.749   2.831  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.738   0.400   0.543  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        3.361   1.215   0.571  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.064  -0.603   1.537  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.524  -0.826   1.664  0.00  0.00    +0.056 A 
ATOM     29  N   LIG    1        5.215  -1.775   0.959  0.00  0.00    -0.264 N 
ATOM     30  N   LIG    1        6.521  -1.837   1.272  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.679  -0.853   2.158  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.472  -0.190   2.442  0.00  0.00    +0.046 A 
BRANCH  29  33
ATOM     33  C   LIG    1        4.620  -2.719  -0.015  0.00  0.00    +0.108 C 
ATOM     34  C   LIG    1        5.295  -3.040  -1.329  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1        4.015  -2.260  -1.322  0.00  0.00    +0.029 C 
ENDBRANCH  29  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 9