REMARK  Name = BDB028873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.760  -2.508  -0.730  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -1.097  -1.557   0.022  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -1.829  -0.366  -0.084  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1       -1.402   0.812   0.590  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.276   0.735   1.323  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        0.463  -0.567   1.372  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1       -2.928  -0.544  -0.881  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1        0.051  -1.648   0.755  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -2.871  -1.820  -1.254  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.433  -4.897  -0.382  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -1.372  -3.942  -0.933  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -1.089  -4.247  -2.405  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1        1.633  -0.718   2.074  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        2.001  -1.660   1.973  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.633   0.304   2.317  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.598   0.521   1.139  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        2.945   1.190  -0.081  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1        3.976   1.363  -1.213  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1        4.630   0.106  -1.590  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1        3.925  -0.544  -1.943  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        5.297  -0.497  -0.435  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        4.321  -0.766   0.712  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1        2.427   2.462   0.304  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        1.948   2.824  -0.464  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       -2.114   2.010   0.491  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -1.849   2.741   1.152  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.485   2.176   0.006  0.00  0.00    +0.166 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.059   3.547   0.295  0.00  0.00    +0.095 A 
ATOM     29  S   LIG    1       -5.540   4.032  -0.436  0.00  0.00    -0.079 S 
ATOM     30  C   LIG    1       -5.433   5.537   0.375  0.00  0.00    +0.066 A 
ATOM     31  C   LIG    1       -4.290   5.572   1.143  0.00  0.00    +0.119 A 
ATOM     32  N   LIG    1       -3.507   4.436   1.102  0.00  0.00    -0.251 NA
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8