REMARK  Name = BDB059420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.434   0.673   0.348  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.696   0.275   1.082  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        1.659   1.210   1.478  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.524   2.546   1.106  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.415   2.948   0.363  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.554   2.019  -0.025  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.496  -2.253  -2.500  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.840  -1.597  -1.338  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -3.116  -1.806   0.002  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.283  -1.001   0.761  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -2.371  -0.988   2.153  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.258  -1.778   2.774  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -4.082  -2.596   2.038  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.753  -3.199   2.499  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.458  -0.280  -0.088  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.078  -2.673   0.653  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -4.854  -3.427   0.071  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.803  -0.628  -1.385  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        0.310   4.302  -0.073  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -0.646   4.660  -0.136  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.119   4.704  -1.510  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        1.581   3.509  -2.180  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        0.260   5.661  -2.175  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        2.522   5.592  -0.873  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        0.830  -1.042   1.465  0.00  0.00    -0.455 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.909  -1.734   0.960  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        2.396  -1.571  -0.340  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        3.480  -2.335  -0.777  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.066  -3.269   0.077  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.567  -3.447   1.367  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        2.484  -2.684   1.806  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5