REMARK  Name = BDB058884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.516  -2.352  -0.035  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        1.140  -2.118   0.752  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -0.713  -0.380   0.789  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1       -0.808  -1.569   0.083  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.361  -1.567  -0.775  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        0.282  -0.096   1.453  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1       -4.199   1.052   0.188  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -3.142   0.134   0.304  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.856   0.565   0.662  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -1.629   1.919   0.932  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -2.671   2.837   0.822  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.945   2.408   0.449  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.204  -0.326   0.850  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -5.601   0.612  -0.199  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -5.627  -0.033  -1.587  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1        1.318  -2.149  -1.541  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1        1.465  -3.461  -2.134  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        0.653  -1.075  -2.252  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.915  -1.578  -1.029  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        3.059  -0.258  -0.594  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.315   0.215  -0.187  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        5.434  -0.651  -0.235  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        6.689  -0.172   0.172  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.840   1.141   0.620  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.740   1.992   0.668  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.267  -1.971  -0.688  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        4.484   1.532   0.267  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.013  -2.437  -1.086  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5