REMARK  Name = BDB021074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.817  -0.445   1.649  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.549  -0.584   1.269  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.577  -0.751   2.221  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.925  -0.854   1.818  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.296  -0.816   0.467  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.277  -0.659  -0.476  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.276  -0.787   3.695  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.182  -1.119   3.940  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.938  -0.544  -0.081  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.051  -0.215   3.081  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -6.255   3.997   1.336  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.969   3.340   1.766  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.654   2.114   1.188  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.444   1.461   1.696  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -3.019   0.329   0.834  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -3.771  -0.114  -0.226  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.099  -1.124  -0.843  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -1.962  -1.366  -0.233  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -5.027   0.476  -0.625  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.891  -0.471   0.808  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -5.643   1.251   0.533  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -4.240   3.889   2.592  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -3.572  -1.904  -2.101  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.578  -1.207  -3.436  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.555  -2.267  -3.151  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        4.702  -0.937   0.058  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.301  -0.018  -0.813  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        6.639  -0.179  -1.173  0.00  0.00    +0.106 A 
ATOM     29  C   LIG    1        7.365  -1.227  -0.640  0.00  0.00    +0.137 A 
ATOM     30  N   LIG    1        6.824  -2.143   0.192  0.00  0.00    -0.261 NA
ATOM     31  C   LIG    1        5.516  -1.977   0.518  0.00  0.00    +0.119 A 
BRANCH  28  32
ATOM     32  S   LIG    1        7.428   0.954  -2.263  0.00  0.00    -0.004 S 
ATOM     33  O   LIG    1        6.702   2.208  -2.191  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1        8.852   0.904  -1.994  0.00  0.00    -0.170 OA
ATOM     35  C   LIG    1        7.145   0.247  -3.865  0.00  0.00    +0.200 C 
ENDBRANCH  28  32
ENDBRANCH   5  26
TORSDOF 4