REMARK  Name = BDB003624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.923  -3.354  -3.038  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.202  -2.486  -2.046  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.579  -2.356  -0.696  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1       -0.169  -1.548   0.181  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.266  -0.832  -0.295  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.657  -0.955  -1.627  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -0.927  -1.774  -2.492  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.081   0.009   0.621  0.00  0.00    +0.100 A 
ATOM      9  C   LIG    1       -1.431   1.144   1.377  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.240   1.854   2.281  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -1.714   2.914   3.025  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.379   3.280   2.860  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.422   2.598   1.945  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.623   1.460   2.379  0.00  0.00    +0.186 A 
ATOM     15  N   LIG    1       -4.079   0.433   1.592  0.00  0.00    -0.196 N 
ATOM     16  C   LIG    1       -5.412   0.309   1.895  0.00  0.00    +0.152 A 
ATOM     17  N   LIG    1       -5.739   1.207   2.805  0.00  0.00    -0.132 NA
ATOM     18  C   LIG    1       -6.292  -0.697   1.268  0.00  0.00    +0.090 C 
ATOM     19  N   LIG    1       -4.608   1.935   3.111  0.00  0.00    -0.127 NA
ATOM     20  C   LIG    1       -0.101   1.538   1.198  0.00  0.00    +0.011 A 
ATOM     21  N   LIG    1       -3.348  -0.307   0.709  0.00  0.00    -0.163 NA
ENDBRANCH   5   8
BRANCH   3  22
ATOM     22  S   LIG    1        1.998  -3.163   0.028  0.00  0.00    +0.059 S 
ATOM     23  O   LIG    1        1.594  -3.656   1.326  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        2.659  -4.015  -0.932  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1        2.993  -1.857   0.317  0.00  0.00    -0.186 NA
ATOM     26  H   LIG    1        3.297  -1.733   1.279  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.769  -1.278  -0.767  0.00  0.00    +0.141 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.654   0.226  -0.766  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        2.750   0.870  -1.624  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.634   2.261  -1.615  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.413   3.021  -0.744  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.306   2.391   0.121  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.424   1.000   0.114  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 5