REMARK  Name = BDB060379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.278   1.475  -0.771  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -0.544   0.179  -0.344  0.00  0.00    -0.284 N 
ATOM      3  H   LIG    1        0.259  -0.438  -0.284  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.103   2.381  -0.875  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.773  -0.355   0.093  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.752  -1.685   0.542  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -2.954  -2.260   0.987  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -4.163  -1.563   0.997  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1       -5.253  -2.284   1.468  0.00  0.00    -0.141 NA
ATOM     10  N   LIG    1       -4.918  -3.513   1.820  0.00  0.00    -0.109 NA
ATOM     11  C   LIG    1       -4.166  -0.231   0.541  0.00  0.00    +0.032 A 
ATOM     12  S   LIG    1       -3.294  -3.835   1.597  0.00  0.00    +0.037 S 
ATOM     13  C   LIG    1       -2.972   0.357   0.095  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1        1.193   1.689  -1.240  0.00  0.00    +0.169 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.221   1.062  -0.305  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1        3.178   0.131  -0.740  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.091  -0.430   0.156  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.069  -0.063   1.499  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.141   0.873   1.946  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.228   1.435   1.052  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  21
ATOM     21  N   LIG    1        1.290   1.218  -2.640  0.00  0.00    -0.316 NA
ATOM     22  H   LIG    1        0.671   1.806  -3.202  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        0.897   0.281  -2.703  0.00  0.00    +0.119 HD
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 4