REMARK  Name = BDB059395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.360  -1.238   0.056  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.681  -1.194  -1.293  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.244  -0.465  -1.859  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.160  -1.625   0.904  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.653   0.660   3.556  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.433   0.198   2.145  0.00  0.00    -0.049 A 
ATOM      7  C   LIG    1       -3.494   0.192   1.228  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.327  -0.275  -0.087  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -2.061  -0.743  -0.473  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.991  -0.742   0.434  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.185  -0.288   1.744  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.442  -0.284  -1.034  0.00  0.00    +0.135 A 
ATOM     13  O   LIG    1       -5.627   0.229  -0.581  0.00  0.00    -0.463 OA
ATOM     14  C   LIG    1       -6.527   0.136  -1.592  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -5.946  -0.431  -2.700  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.602  -0.703  -2.342  0.00  0.00    +0.050 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        2.181  -1.395  -1.599  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.634  -1.916  -0.833  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.026   0.065  -1.931  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        2.124   1.164  -1.648  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.648  -0.078  -3.230  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.293   0.040  -0.692  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        5.598  -0.321  -1.037  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        6.588  -0.330  -0.055  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.274   0.024   1.258  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.970   0.392   1.595  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.974   0.406   0.619  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5