REMARK  Name = BDB059208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.741   2.109   0.343  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -2.600   1.127   0.641  0.00  0.00    -0.206 NA
ATOM      3  C   LIG    1       -2.126  -0.131   0.734  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -0.772  -0.404   0.552  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1        0.048   0.675   0.250  0.00  0.00    +0.095 A 
ATOM      6  N   LIG    1       -0.429   1.937   0.155  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.033  -1.163   1.041  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -4.197  -0.731   1.841  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -5.265  -1.833   1.912  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -4.676  -3.223   1.714  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -3.929  -3.331   0.381  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -3.399  -1.984  -0.120  0.00  0.00    +0.106 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1        1.505   0.585   0.022  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.051  -0.282  -0.944  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1        3.432  -0.361  -1.148  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.279   0.459  -0.385  0.00  0.00    +0.204 A 
ATOM     17  C   LIG    1        3.763   1.364   0.555  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1        2.381   1.410   0.756  0.00  0.00    +0.059 A 
BRANCH  15  19
ATOM     19  O   LIG    1        4.042  -1.182  -2.061  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        3.239  -2.168  -2.695  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
BRANCH  16  21
ATOM     21  O   LIG    1        5.637   0.429  -0.617  0.00  0.00    -0.488 OA
ATOM     22  C   LIG    1        6.250  -0.539   0.233  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
BRANCH  17  23
ATOM     23  O   LIG    1        4.678   2.132   1.228  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        4.177   3.192   2.031  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH   4  25
ATOM     25  C   LIG    1       -0.247  -1.721   0.727  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1        0.202  -2.788   0.821  0.00  0.00    -0.191 NA
ENDBRANCH   4  25
BRANCH   1  27
ATOM     27  S   LIG    1       -2.398   3.749   0.249  0.00  0.00    -0.073 S 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.525   4.327  -1.233  0.00  0.00    +0.165 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -2.344   3.103  -3.461  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -1.978   3.653  -2.458  0.00  0.00    -0.094 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9