REMARK  Name = BDB060989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.705   1.899   1.090  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -1.274   3.143   0.625  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.718   1.516   2.484  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.412   0.595   0.099  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.591  -0.095   0.511  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.060  -1.170  -0.301  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.243  -1.872   0.073  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -4.891  -1.567   1.273  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.461  -0.510   2.056  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.334  -1.498  -1.470  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.202  -0.790  -1.867  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.339   0.222   1.673  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.746   0.261  -1.090  0.00  0.00    +0.029 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -4.700  -3.027  -0.606  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -4.495  -3.015  -1.598  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -4.305  -3.864  -0.180  0.00  0.00    +0.142 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1        0.914   1.937   0.633  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        1.233   2.881   0.421  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.832   1.050   1.343  0.00  0.00    +0.141 C 
BRANCH  19  22
ATOM     20  C   LIG    1        4.407  -0.172  -1.195  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        3.226  -0.052  -0.453  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.121   0.902   0.571  0.00  0.00    -0.031 A 
ATOM     23  C   LIG    1        4.211   1.744   0.831  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.391   1.624   0.094  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.490   0.667  -0.917  0.00  0.00    +0.019 A 
BRANCH  20  27
ATOM     26  N   LIG    1        4.567  -1.941  -3.086  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        4.501  -1.149  -2.240  0.00  0.00    +0.099 C 
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6