REMARK  Name = BDB033937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.320   1.837   1.267  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.548   3.910   2.620  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.196   3.107   1.792  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -1.187   3.289   1.648  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.716   3.668   2.902  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.633   6.012   4.006  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.218   5.114   3.127  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.908   1.062   0.746  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.712  -0.267   0.464  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        0.241  -0.641   0.439  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.000   1.617   0.596  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.755  -1.090  -0.153  0.00  0.00    +0.091 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.780  -0.853  -1.680  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.910  -1.556  -2.394  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -2.651  -2.618  -3.271  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.700  -3.270  -3.920  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.016  -2.865  -3.703  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.284  -1.805  -2.840  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.237  -1.152  -2.189  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1       -1.564  -2.575   0.244  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -0.274  -3.145  -0.167  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1       -0.232  -3.178  -1.185  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -0.241  -4.117   0.142  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1        1.338   2.065   0.141  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.379   0.986   0.116  0.00  0.00    +0.082 A 
ATOM     26  S   LIG    1        4.041   1.385  -0.030  0.00  0.00    -0.072 S 
ATOM     27  C   LIG    1        4.452  -0.285   0.037  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        3.280  -1.034   0.157  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1        3.380  -2.438   0.237  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        4.636  -3.051   0.190  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        5.786  -2.279   0.066  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1        7.323  -3.054   0.008  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        5.721  -0.886  -0.013  0.00  0.00    +0.037 A 
ATOM     34  N   LIG    1        2.106  -0.299   0.188  0.00  0.00    -0.244 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10