REMARK  Name = BDB057123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.657  -3.188   0.132  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1       -0.677  -2.741   0.119  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -1.718  -3.609  -0.219  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.419  -4.934  -0.542  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.101  -5.390  -0.537  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.935  -4.520  -0.204  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.778  -2.241   0.511  0.00  0.00    +0.131 C 
BRANCH   7   9
ATOM      8  O   LIG    1        1.436  -1.072  -1.571  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.089  -1.175  -0.526  0.00  0.00    +0.223 C 
ATOM     10  N   LIG    1        3.096  -0.274  -0.363  0.00  0.00    -0.264 N 
ATOM     11  H   LIG    1        3.187   0.359  -1.148  0.00  0.00    +0.157 HD
BRANCH  10  12
ATOM     12  C   LIG    1        4.008  -0.020   0.624  0.00  0.00    +0.165 A 
ATOM     13  S   LIG    1        4.105  -0.871   2.089  0.00  0.00    -0.060 S 
ATOM     14  C   LIG    1        5.421   0.112   2.578  0.00  0.00    +0.076 A 
ATOM     15  C   LIG    1        5.702   1.040   1.595  0.00  0.00    +0.080 A 
ATOM     16  N   LIG    1        4.883   0.946   0.477  0.00  0.00    -0.225 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.762   2.045   1.665  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        7.441   2.341   2.850  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        8.431   3.311   2.824  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        8.786   3.995   1.717  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        8.117   3.701   0.584  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        7.113   2.750   0.509  0.00  0.00    +0.030 A 
ENDBRANCH  15  17
ENDBRANCH  10  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  O   LIG    1       -3.048  -3.299  -0.279  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.457  -1.953  -0.019  0.00  0.00    +0.230 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.343  -1.097  -1.280  0.00  0.00    +0.056 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.653   0.382  -1.025  0.00  0.00    +0.088 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.984   0.605  -0.432  0.00  0.00    -0.300 NA
ATOM     28  C   LIG    1       -6.066   0.451  -1.436  0.00  0.00    +0.099 C 
ATOM     29  C   LIG    1       -6.656   1.762  -2.020  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1       -5.666   2.833  -2.149  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -6.098   3.674  -2.527  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -5.051   3.126  -0.846  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1       -5.067   1.952   0.167  0.00  0.00    +0.099 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 9