REMARK  Name = BDB018368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.767   2.984  -0.999  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.881   1.837  -0.870  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.375   0.567  -1.129  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.526   0.311  -1.470  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.408  -0.545  -0.972  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1       -2.132  -0.314  -0.622  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -1.654   1.065  -0.414  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.557   2.060  -0.537  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.297   1.386  -0.081  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        0.830   1.056  -0.798  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        1.891   1.518  -0.067  0.00  0.00    -0.267 N 
ATOM     12  N   LIG    1        1.518   2.202   1.037  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        0.186   2.111   1.030  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.303   1.332  -0.374  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.747  -0.076  -0.065  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        4.025  -0.984  -1.097  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.421  -2.290  -0.802  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.543  -2.702   0.523  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.268  -1.810   1.558  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.873  -0.504   1.266  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   7   9
BRANCH   6  21
ATOM     21  S   LIG    1       -1.074  -1.701  -0.455  0.00  0.00    -0.113 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.895  -1.775   1.359  0.00  0.00    +0.194 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.106  -2.397   2.021  0.00  0.00    +0.315 C 
ATOM     24  O   LIG    1       -2.488  -2.098   3.143  0.00  0.00    -0.250 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.705  -3.374   1.298  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -2.284  -3.478   0.419  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 7