REMARK  Name = BDB000193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.588  -1.208   1.362  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -1.989  -0.054   2.462  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1       -0.735   0.338   1.351  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.854  -0.461   0.219  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -1.936  -1.334   0.239  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.320  -2.864   1.082  0.00  0.00    +0.235 C 
ATOM      7  N   LIG    1       -3.697  -1.866   1.796  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1       -4.055  -1.669   2.723  0.00  0.00    +0.157 HD
ATOM      9  O   LIG    1       -4.018  -3.294  -0.026  0.00  0.00    -0.274 OA
BRANCH   6  11
ATOM     10  C   LIG    1       -6.787  -2.583   1.419  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1       -5.563  -3.395   1.824  0.00  0.00    +0.135 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -5.366  -3.293   3.294  0.00  0.00    -0.320 NA
ATOM     13  H   LIG    1       -6.218  -3.620   3.754  0.00  0.00    +0.119 HD
ATOM     14  H   LIG    1       -4.647  -3.972   3.559  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1        0.282   1.389   1.686  0.00  0.00    +0.079 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.255   2.577   0.747  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1       -0.882   3.392   0.652  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.901   4.483  -0.219  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        0.216   4.774  -0.999  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        1.355   3.977  -0.907  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        1.377   2.888  -0.035  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
BRANCH   4  22
ATOM     22  C   LIG    1        0.028  -0.452  -0.996  0.00  0.00    +0.285 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.401  -0.628  -0.633  0.00  0.00    -0.485 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.347  -0.427  -1.610  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        3.694  -0.361  -1.167  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        4.721  -0.134  -2.115  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        6.059  -0.053  -1.691  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        6.394  -0.196  -0.345  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.397  -0.424   0.595  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.394   0.008  -3.470  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        3.070  -0.076  -3.895  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.064  -0.506   0.189  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1        2.050  -0.295  -2.970  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8