REMARK  Name = BDB015644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.718  -0.975   0.577  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.224   0.233   0.317  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -1.324   1.212   0.106  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1        0.007   1.028   0.133  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        0.463  -0.209   0.413  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.382  -1.263   0.671  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.935  -0.353   0.473  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.535  -1.399  -0.124  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        3.911  -1.570  -0.105  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        4.470  -2.731  -0.780  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.771  -0.665   0.516  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        5.994  -0.786   0.551  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.118   0.516   1.168  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.018   1.508   1.830  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.781   0.632   1.127  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -1.850   2.546  -0.235  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1       -1.218   3.750   0.132  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -1.778   4.995  -0.189  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -2.961   5.067  -0.919  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.598   3.896  -1.313  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.052   2.655  -0.970  0.00  0.00    +0.015 A 
BRANCH  17  22
ATOM     22  O   LIG    1       -0.083   3.738   0.907  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        1.055   4.122   0.132  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH   3  16
BRANCH   1  24
ATOM     24  N   LIG    1       -2.740  -1.926   0.826  0.00  0.00    -0.204 N 
ATOM     25  H   LIG    1       -3.619  -1.403   0.796  0.00  0.00    +0.175 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -2.829  -3.186  -0.302  0.00  0.00    +0.044 S 
ATOM     27  O   LIG    1       -3.683  -2.724  -1.374  0.00  0.00    -0.155 OA
ATOM     28  O   LIG    1       -1.502  -3.706  -0.552  0.00  0.00    -0.155 OA
BRANCH  26  30
ATOM     29  C   LIG    1       -3.979  -5.660  -0.141  0.00  0.00    +0.030 C 
ATOM     30  C   LIG    1       -3.725  -4.397   0.658  0.00  0.00    +0.185 C 
ENDBRANCH  26  30
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6