REMARK  Name = BDB059923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704   0.191  -2.253  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -0.491  -0.089  -0.901  0.00  0.00    +0.099 A 
ATOM      3  N   LIG    1        0.885  -0.314  -0.847  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        1.611  -0.460   0.345  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.988  -0.469   1.486  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.379  -0.344   1.453  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        1.364  -0.363  -2.126  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -1.179  -0.171   0.367  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        0.450  -0.028  -2.998  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.685  -0.211   0.678  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1       -3.477   1.050   0.328  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -4.920   0.933   0.815  0.00  0.00    +0.109 C 
ATOM     13  N   LIG    1       -5.541  -0.288   0.250  0.00  0.00    -0.181 NA
ATOM     14  C   LIG    1       -4.830  -1.542   0.592  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -3.372  -1.473   0.140  0.00  0.00    +0.025 C 
BRANCH  13  16
ATOM     16  S   LIG    1       -7.237  -0.349   0.226  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1       -7.734   0.936  -0.218  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1       -7.642  -1.576  -0.426  0.00  0.00    -0.158 OA
ATOM     19  C   LIG    1       -7.638  -0.507   1.956  0.00  0.00    +0.215 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -1.630   0.902  -4.776  0.00  0.00    +0.202 C 
ATOM     21  S   LIG    1       -2.104   0.815  -3.070  0.00  0.00    +0.013 S 
ATOM     22  O   LIG    1       -3.120  -0.204  -2.926  0.00  0.00    -0.168 OA
ATOM     23  O   LIG    1       -2.248   2.164  -2.558  0.00  0.00    -0.168 OA
ENDBRANCH   1  21
BRANCH   4  24
ATOM     24  N   LIG    1        2.981  -0.602   0.326  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.259  -0.956   1.240  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.799   0.573   0.034  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.243   0.174  -0.011  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        6.044   0.116   1.126  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.744   0.477   2.532  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        6.974  -0.123   3.213  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        8.037  -0.244   2.241  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        7.379  -0.261   1.039  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        7.976  -0.598  -0.159  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        7.187  -0.566  -1.309  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        5.840  -0.189  -1.226  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1        5.112  -0.166  -2.353  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 6