REMARK  Name = BDB028482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.488  -2.135  -0.950  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.680  -0.960  -0.648  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.711  -0.475   0.172  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1        3.931  -1.211   0.408  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.870  -0.747   1.357  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        6.082  -1.435   1.558  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        6.370  -2.591   0.841  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        5.457  -3.059  -0.092  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.642   0.508   2.156  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        3.166   0.831   2.242  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        4.256  -2.373  -0.309  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.573   0.822   0.846  0.00  0.00    +0.115 C 
ATOM     13  N   LIG    1        0.821   0.021  -1.106  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        1.265   0.907  -1.298  0.00  0.00    +0.150 HD
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -0.288  -0.316  -1.980  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.451  -1.036  -1.275  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.393  -1.510  -2.245  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -1.945  -2.216  -2.745  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.158  -0.165  -0.204  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.511   1.218  -0.607  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.678   1.263  -1.528  0.00  0.00    +0.127 C 
ATOM     22  C   LIG    1       -4.992   1.140  -0.805  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -5.171   1.355   0.548  0.00  0.00    -0.035 A 
ATOM     24  C   LIG    1       -6.533   1.191   0.932  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -7.333   0.864  -0.142  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.004   1.687   1.425  0.00  0.00    +0.051 C 
ATOM     27  S   LIG    1       -6.444   0.757  -1.603  0.00  0.00    -0.100 S 
ATOM     28  C   LIG    1       -2.769   2.075   0.577  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  13  15
TORSDOF 5