REMARK  Name = BDB026610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.666   1.861   1.097  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1       -0.257   0.578   1.510  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.892  -0.555   0.933  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.392  -1.835   1.283  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.638  -2.010   2.208  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.216  -0.903   2.805  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.954  -0.344   0.004  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.262   0.896  -0.447  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1        0.779   0.373   2.456  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.643   1.956   0.117  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.699  -1.389  -0.545  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -3.663  -1.064  -1.639  0.00  0.00    +0.183 C 
ATOM     13  C   LIG    1       -4.639  -2.241  -1.601  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -4.795  -2.462  -0.110  0.00  0.00    +0.021 C 
ATOM     15  C   LIG    1       -3.372  -2.286   0.417  0.00  0.00    +0.107 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -2.992  -0.913  -3.009  0.00  0.00    +0.325 C 
ATOM     17  O   LIG    1       -3.246  -1.593  -3.995  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.101   0.110  -3.059  0.00  0.00    -0.479 OA
ATOM     19  H   LIG    1       -2.048   0.546  -2.175  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   7  11
BRANCH   1  20
ATOM     20  N   LIG    1       -0.044   3.051   1.590  0.00  0.00    -0.214 N 
ATOM     21  H   LIG    1        0.267   3.082   2.558  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        0.937   3.953   0.552  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1        1.613   4.921   1.389  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        0.151   4.362  -0.591  0.00  0.00    -0.150 OA
BRANCH  22  28
ATOM     25  C   LIG    1        4.063   0.927  -0.854  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        2.896   1.135  -1.597  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        1.940   2.063  -1.181  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1        2.148   2.773   0.002  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        3.319   2.592   0.743  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.274   1.664   0.315  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        6.126  -0.244  -0.677  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        4.911  -0.009  -1.377  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7