REMARK  Name = BDB056050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.511   0.438   0.873  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -1.640   1.365   0.280  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.558   1.898   0.989  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.318   1.518   2.314  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -1.181   0.591   2.914  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.262   0.061   2.202  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.831  -1.197  -1.312  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.909  -2.046  -0.695  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.829  -1.511   0.016  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.648  -0.122   0.125  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -4.585   0.717  -0.502  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.667   0.187  -1.214  0.00  0.00    +0.019 A 
BRANCH   7  14
ATOM     13  N   LIG    1       -7.836  -2.184  -2.629  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -6.939  -1.742  -2.040  0.00  0.00    +0.099 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  15
ATOM     15  C   LIG    1        0.858   2.079   3.077  0.00  0.00    +0.114 C 
BRANCH  15  16
ATOM     16  S   LIG    1        2.252   0.921   3.168  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.913   1.080   1.573  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1        3.629   0.080   0.970  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1        3.944   0.642  -0.238  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1        3.479   1.869  -0.362  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1        2.819   2.154   0.815  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1        4.717  -0.163  -1.172  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.123  -1.466  -0.866  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.856  -2.171  -1.807  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        6.204  -1.673  -3.011  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.804  -0.415  -3.290  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        5.070   0.368  -2.417  0.00  0.00    +0.033 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 6