REMARK  Name = BDB064929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.251  -1.122   0.681  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.933  -0.625   0.747  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.150  -1.353   0.237  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.089  -2.590  -0.357  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.390  -3.090  -0.448  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.463  -2.363   0.064  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.428  -0.779   0.364  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        1.496   0.125   0.827  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.646  -1.309  -0.025  0.00  0.00    +0.267 C 
ATOM     10  O   LIG    1        2.847  -2.385  -0.575  0.00  0.00    -0.268 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.805  -0.417   0.308  0.00  0.00    +0.129 A 
ATOM     12  N   LIG    1        3.496   0.754   0.921  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1        4.532   1.555   1.233  0.00  0.00    +0.133 A 
ATOM     14  N   LIG    1        5.817   1.235   0.968  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        6.064   0.069   0.340  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.082  -0.811  -0.021  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  C   LIG    1        4.240   2.866   1.923  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        3.378   3.911   1.248  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        4.851   4.148   1.398  0.00  0.00    +0.012 C 
ENDBRANCH  13  17
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     20  C   LIG    1       -4.503  -1.089   1.930  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -3.390  -0.291   1.246  0.00  0.00    +0.081 C 
BRANCH  21  22
ATOM     22  S   LIG    1       -4.029   0.910   0.021  0.00  0.00    -0.078 S 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.636  -0.122  -1.220  0.00  0.00    +0.192 A 
ATOM     24  N   LIG    1       -4.162  -0.128  -2.501  0.00  0.00    -0.312 N 
ATOM     25  C   LIG    1       -3.061   0.619  -3.052  0.00  0.00    +0.152 C 
ATOM     26  C   LIG    1       -4.907  -1.057  -3.163  0.00  0.00    +0.225 A 
ATOM     27  N   LIG    1       -5.778  -1.594  -2.337  0.00  0.00    -0.137 NA
ATOM     28  N   LIG    1       -5.616  -0.986  -1.110  0.00  0.00    -0.123 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6