REMARK  Name = BDB059971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.906   1.176   1.472  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1        3.284   1.117   0.418  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1        2.290   0.186   0.165  0.00  0.00    -0.265 N 
ATOM      4  C   LIG    1        1.800  -0.064  -1.192  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        0.413  -0.735  -1.202  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1        0.374  -1.933  -0.344  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1        0.750  -1.573   1.036  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        2.147  -0.929   1.098  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.903  -2.664  -0.425  0.00  0.00    +0.095 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.168  -1.928   0.046  0.00  0.00    +0.092 C 
BRANCH  10  11
ATOM     11  S   LIG    1       -3.628  -3.004  -0.143  0.00  0.00    -0.087 S 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.872  -1.948   0.450  0.00  0.00    +0.170 A 
ATOM     13  N   LIG    1       -6.099  -2.534   0.418  0.00  0.00    -0.301 N 
ATOM     14  H   LIG    1       -6.186  -3.478   0.074  0.00  0.00    +0.171 HD
ATOM     15  C   LIG    1       -7.238  -1.899   0.834  0.00  0.00    +0.260 A 
ATOM     16  O   LIG    1       -8.338  -2.435   0.799  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -7.051  -0.522   1.327  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1       -5.750  -0.007   1.321  0.00  0.00    +0.079 A 
ATOM     19  C   LIG    1       -5.545   1.294   1.784  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -6.620   2.062   2.242  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -7.913   1.534   2.241  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -8.133   0.236   1.782  0.00  0.00    +0.015 A 
ATOM     23  N   LIG    1       -4.645  -0.750   0.868  0.00  0.00    -0.223 NA
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
BRANCH   2  24
ATOM     24  O   LIG    1        3.482   1.958  -0.630  0.00  0.00    -0.445 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.522   2.928  -0.471  0.00  0.00    +0.269 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.769   2.443  -1.165  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        5.943   2.644  -2.541  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        7.090   2.175  -3.185  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.067   1.494  -2.461  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.897   1.277  -1.095  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.752   1.745  -0.450  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 7