REMARK  Name = BDB015499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.265  -0.748  -0.623  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.000   0.179  -1.269  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -2.331   0.129  -1.095  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.979  -0.748  -0.320  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -2.208  -1.671   0.258  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.839  -1.727   0.157  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  N   LIG    1        3.418  -0.718   0.050  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1        4.023  -0.454  -1.180  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        5.238  -0.354  -1.340  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.095  -0.286  -2.343  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.720   0.003  -3.670  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        1.771  -0.390  -2.147  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.198  -0.665  -0.839  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.042  -0.797   0.202  0.00  0.00    +0.099 A 
BRANCH   7  15
ATOM     15  C   LIG    1        4.271  -0.839   1.233  0.00  0.00    +0.125 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.530   0.521   1.885  0.00  0.00    +0.021 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.684   1.734   3.768  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        5.426   0.385   3.115  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  N   LIG    1       -2.910  -2.572   1.088  0.00  0.00    -0.203 N 
ATOM     20  H   LIG    1       -2.539  -3.518   1.147  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.258  -2.000   2.629  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -2.218  -1.072   3.020  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -3.504  -3.191   3.417  0.00  0.00    -0.155 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.823  -1.119   2.410  0.00  0.00    +0.145 C 
ATOM     25  C   LIG    1       -5.883  -2.004   1.765  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -5.306  -0.593   3.760  0.00  0.00    +0.033 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   3  27
ATOM     27  O   LIG    1       -3.135   1.093  -1.688  0.00  0.00    -0.421 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -2.598   1.742  -2.773  0.00  0.00    +0.167 A 
ATOM     29  C   LIG    1       -2.274   1.066  -3.953  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1       -2.460  -0.259  -4.047  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -1.764   1.752  -5.047  0.00  0.00    +0.080 A 
ATOM     32  C   LIG    1       -1.595   3.128  -4.955  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1       -1.105   3.802  -6.003  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -1.933   3.823  -3.795  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -2.447   3.128  -2.698  0.00  0.00    +0.052 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 9