REMARK  Name = BDB022157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.081   0.035   1.418  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.947  -0.888   1.349  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        2.116  -0.189   1.075  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.843   1.135   0.848  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.544   1.258   1.110  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -4.712   1.216  -0.784  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1       -3.462   0.609  -1.289  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.239   0.861  -0.385  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.452   0.354   0.977  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.466  -0.208   1.782  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -1.746  -0.876   2.776  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.846   0.217   1.395  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.762   1.236   0.695  0.00  0.00    +0.103 C 
BRANCH   6  14
ATOM     14  C   LIG    1       -5.909   0.584  -1.358  0.00  0.00    +0.084 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.064   2.143  -3.373  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -6.023   0.702  -2.885  0.00  0.00    +0.012 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1        3.468  -0.691   1.028  0.00  0.00    +0.252 A 
ATOM     18  N   LIG    1        4.450   0.169   0.681  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1        5.712  -0.300   0.654  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1        6.024  -1.605   0.971  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.965  -2.409   1.312  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        3.691  -1.984   1.350  0.00  0.00    -0.219 NA
BRANCH  19  23
ATOM     23  C   LIG    1        6.754   0.669   0.281  0.00  0.00    +0.038 A 
ATOM     24  S   LIG    1        6.395   1.961  -0.798  0.00  0.00    -0.095 S 
ATOM     25  C   LIG    1        7.993   2.562  -0.735  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        8.796   1.805   0.084  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        8.085   0.716   0.667  0.00  0.00    +0.017 A 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   2  28
ATOM     28  C   LIG    1        0.794  -2.422   1.581  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1       -0.325  -3.174   0.902  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        1.085  -3.367   0.441  0.00  0.00    +0.010 C 
ENDBRANCH   2  28
TORSDOF 6