REMARK  Name = BDB035987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.201   0.832   3.078  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.727   0.866   2.010  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.921   1.210   2.623  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.151   1.346   1.964  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.179   1.122   0.572  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.980   0.809  -0.071  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        1.730   0.480  -1.499  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        0.209   0.605  -1.524  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.300   0.387  -0.191  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        1.704   1.407   3.950  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.777   0.688   0.628  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.364   1.205   4.233  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.565   0.551   3.063  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -1.989   0.680   3.982  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.131  -0.910   2.429  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -1.003  -1.723   2.030  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.095  -1.372   3.409  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.555  -1.449   0.143  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -3.061  -0.444   0.988  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1       -3.283   0.912   0.701  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.990   1.273  -0.450  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1       -4.481   0.277  -1.299  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -4.267  -1.074  -1.002  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.671  -3.773  -0.408  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.327  -2.745   0.510  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  21  26
ATOM     26  C   LIG    1       -4.190   2.716  -0.729  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1       -3.797   3.635  -0.036  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.873   2.937  -1.865  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -4.935   3.915  -1.916  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  30
ATOM     30  C   LIG    1        4.483   1.237  -0.181  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        4.943  -0.048  -0.689  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        5.004  -0.266  -2.021  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        5.486  -1.507  -2.116  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        5.749  -2.080  -0.859  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        5.398  -1.108   0.047  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 8