REMARK  Name = BDB035885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670   0.477  -0.012  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        0.567  -0.306  -0.338  0.00  0.00    +0.266 A 
ATOM      3  O   LIG    1        0.566  -1.185  -1.199  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1        1.678   0.044   0.397  0.00  0.00    -0.261 N 
ATOM      5  C   LIG    1        1.619   1.049   1.333  0.00  0.00    +0.180 A 
ATOM      6  S   LIG    1        3.194   1.242   2.079  0.00  0.00    -0.053 S 
ATOM      7  C   LIG    1        3.858  -0.035   1.076  0.00  0.00    +0.024 A 
ATOM      8  N   LIG    1        0.580   1.748   1.630  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        2.917  -0.548   0.270  0.00  0.00    +0.108 A 
ATOM     10  C   LIG    1       -0.558   1.432   0.930  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -4.391  -0.195  -0.596  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -3.137   0.029   0.021  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -1.951   0.242  -0.705  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -2.013   0.226  -2.100  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.227   0.011  -2.747  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.393  -0.191  -2.005  0.00  0.00    +0.004 A 
BRANCH  11  20
ATOM     17  C   LIG    1       -5.900  -3.426  -0.623  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -6.590  -2.427   0.293  0.00  0.00    -0.012 C 
ATOM     19  C   LIG    1       -5.684  -1.654   1.273  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -5.714  -0.417   0.299  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1       -6.991  -1.073  -0.329  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -6.056   0.936   1.053  0.00  0.00    +0.144 A 
ATOM     23  N   LIG    1       -6.464   2.118   0.498  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -6.683   2.417  -0.889  0.00  0.00    +0.151 C 
ATOM     25  C   LIG    1       -6.605   2.990   1.533  0.00  0.00    +0.224 A 
ATOM     26  N   LIG    1       -6.299   2.389   2.659  0.00  0.00    -0.138 NA
ATOM     27  N   LIG    1       -5.944   1.095   2.356  0.00  0.00    -0.134 NA
ENDBRANCH  20  22
ENDBRANCH  11  20
ENDBRANCH   1  13
BRANCH   7  28
ATOM     28  C   LIG    1        5.287  -0.482   1.186  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.263   0.525   0.753  0.00  0.00    -0.297 NA
ATOM     30  C   LIG    1        7.633   0.222   1.182  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1        8.575  -0.321   0.095  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        8.238  -1.761  -0.301  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.608   0.607  -1.132  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1        7.402   1.543  -1.208  0.00  0.00    +0.016 C 
ATOM     35  C   LIG    1        6.140   0.876  -0.666  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5