REMARK  Name = BDB049085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.618   0.374  -0.711  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.047  -0.157   0.398  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.446  -0.262   0.417  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.242   0.156  -0.660  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.558   0.685  -1.763  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.160   0.797  -1.792  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.621   0.045  -0.633  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.427   0.074  -1.864  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        5.759  -0.671  -1.667  0.00  0.00    +0.129 C 
ATOM     10  N   LIG    1        6.591  -0.086  -0.565  0.00  0.00    -0.163 NA
ATOM     11  C   LIG    1        5.767   0.595   0.488  0.00  0.00    +0.129 C 
ATOM     12  C   LIG    1        4.364  -0.019   0.638  0.00  0.00    +0.122 C 
BRANCH  10  13
ATOM     13  S   LIG    1        7.748  -1.161   0.028  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        8.472  -1.721  -1.089  0.00  0.00    -0.141 OA
ATOM     15  O   LIG    1        7.106  -2.004   1.009  0.00  0.00    -0.141 OA
BRANCH  13  16
ATOM     16  N   LIG    1        8.779  -0.080   0.830  0.00  0.00    -0.172 NA
ATOM     17  C   LIG    1        9.473   0.878  -0.058  0.00  0.00    +0.132 C 
ATOM     18  C   LIG    1        9.726  -0.752   1.746  0.00  0.00    +0.132 C 
ENDBRANCH  13  16
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -4.253  -0.403  -0.428  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -4.227   0.802   0.411  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.781   1.365   0.324  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -2.125   0.497  -0.778  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -2.864  -0.835  -0.596  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -2.609   2.830   0.219  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -3.131   3.406  -1.020  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -3.176   3.521   1.377  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -5.133  -1.471   0.046  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.878  -1.118   2.520  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -7.409  -0.927   1.126  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -6.602  -1.107  -0.021  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -7.194  -0.952  -1.285  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -6.471  -1.156  -2.396  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -8.534  -0.606  -1.432  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -9.321  -0.412  -0.303  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -8.763  -0.576   0.965  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 7