REMARK  Name = BDB060858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.658  -0.747   3.884  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.472  -0.433   0.515  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -2.276  -0.121   1.837  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -2.773   0.591   2.352  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -1.273  -0.919   2.282  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.868  -1.700   1.310  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -1.613  -1.391   0.196  0.00  0.00    -0.128 NA
BRANCH   2   9
ATOM      8  C   LIG    1       -4.302   1.264   0.052  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.461   0.205  -0.362  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -3.569  -0.268  -1.683  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.484   0.286  -2.577  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.307   1.326  -2.163  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.219   1.812  -0.857  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -4.986   2.785   1.771  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.166   1.699   1.351  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        0.650  -2.336   3.981  0.00  0.00    -0.009 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.943  -1.685   3.050  0.00  0.00    +0.200 A 
ATOM     18  N   LIG    1        1.925  -1.749   1.693  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1        1.174  -2.125   1.130  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        3.045  -1.089   1.259  0.00  0.00    +0.166 A 
ATOM     21  N   LIG    1        3.729  -0.707   2.325  0.00  0.00    -0.128 NA
ATOM     22  N   LIG    1        3.030  -1.080   3.458  0.00  0.00    -0.122 NA
BRANCH  20  23
ATOM     23  C   LIG    1        3.357  -0.858  -0.151  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1        4.674  -0.891  -0.637  0.00  0.00    +0.131 A 
ATOM     25  C   LIG    1        4.946  -0.691  -1.995  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.908  -0.418  -2.883  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        2.596  -0.360  -2.417  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.322  -0.582  -1.064  0.00  0.00    +0.015 A 
BRANCH  24  29
ATOM     29  O   LIG    1        5.722  -1.226   0.182  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1        6.404  -0.050   0.620  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7