REMARK  Name = BDB060136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.844  -1.839   1.051  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.179  -1.438  -0.155  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.493  -0.224  -0.189  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        0.540   0.851   0.847  0.00  0.00    +0.058 C 
ATOM      5  C   LIG    1        1.685   1.725   0.306  0.00  0.00    +0.110 C 
ATOM      6  N   LIG    1        1.787   1.454  -1.134  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1        1.220   0.193  -1.314  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        1.265  -0.617  -2.436  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        0.623  -1.858  -2.409  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.081  -2.273  -1.270  0.00  0.00    +0.025 A 
BRANCH   6  11
ATOM     11  C   LIG    1        2.919   1.949  -1.905  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.265   1.536  -1.347  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.061   2.467  -0.659  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        6.302   2.095  -0.138  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.762   0.789  -0.297  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.982  -0.144  -0.976  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.741   0.226  -1.498  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -2.530  -2.099   0.986  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.840  -2.991  -0.109  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.967  -2.459   2.322  0.00  0.00    -0.150 OA
BRANCH  18  26
ATOM     21  C   LIG    1       -4.740   3.528  -0.078  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.168   2.162   0.165  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.177   1.200  -0.846  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.680  -0.101  -0.637  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1       -3.759  -1.045  -1.806  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -3.161  -0.439   0.637  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1       -3.156   0.530   1.677  0.00  0.00    -0.023 A 
ATOM     28  C   LIG    1       -2.654   0.270   3.074  0.00  0.00    +0.046 C 
ATOM     29  C   LIG    1       -3.675   1.813   1.421  0.00  0.00    +0.008 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
BRANCH   1  30
ATOM     30  C   LIG    1       -0.093  -2.753   1.946  0.00  0.00    +0.251 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.347  -4.231   1.774  0.00  0.00    +0.324 C 
ATOM     32  O   LIG    1       -0.541  -4.839   0.734  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.272  -4.910   2.939  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1       -0.486  -5.833   2.684  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 8