REMARK  Name = BDB022125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.566  -0.829   0.603  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.651  -0.823  -0.433  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        0.514  -0.238   0.048  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        0.332   0.220   1.328  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.891  -0.189   1.658  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.786  -0.102  -0.618  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        2.770   0.558   0.027  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        3.963   0.674  -0.594  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1        4.230   0.105  -1.829  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        5.545   0.165  -2.533  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        3.155  -0.537  -2.409  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        1.942  -0.655  -1.839  0.00  0.00    -0.219 NA
BRANCH   8  13
ATOM     13  C   LIG    1        4.935   1.428   0.203  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        5.688   2.838  -0.424  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        6.564   3.099   1.021  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.270   2.156   1.980  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.320   1.203   1.513  0.00  0.00    +0.017 A 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  N   LIG    1       -3.979  -0.597   0.895  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1       -2.887  -1.426   0.610  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1       -3.022  -2.627   0.381  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -5.487  -1.909   2.361  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -5.293  -1.230   1.013  0.00  0.00    +0.104 C 
ENDBRANCH  18  22
BRANCH  18  23
ATOM     23  C   LIG    1       -3.930   0.869   0.939  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -4.163   1.421   2.336  0.00  0.00    +0.024 C 
ENDBRANCH  18  23
ENDBRANCH   1  19
BRANCH   2  25
ATOM     25  C   LIG    1       -0.898  -1.414  -1.853  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -2.184  -1.110  -2.581  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -0.905  -0.485  -3.041  0.00  0.00    +0.010 C 
ENDBRANCH   2  25
TORSDOF 6