REMARK  Name = BDB032905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.369  -1.513   0.113  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -0.640  -1.361   1.301  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.014  -2.129   2.415  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -2.062  -3.049   2.326  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.752  -3.213   1.125  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.405  -2.448   0.013  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.511  -0.422   1.463  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        1.229  -0.167   0.319  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        0.981  -0.633  -0.544  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        0.746   0.012   2.585  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.312   0.663   0.184  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        2.949   1.587   1.467  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        4.127   2.215   0.415  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        3.964   1.688  -0.846  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        2.913   0.794  -0.978  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        5.151   3.180   0.837  0.00  0.00    -0.022 NA
ATOM     17  O   LIG    1        5.926   3.538  -0.057  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  18
ATOM     18  O   LIG    1       -1.061  -0.772  -1.033  0.00  0.00    -0.394 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.813   0.390  -1.140  0.00  0.00    +0.515 C 
ATOM     20  O   LIG    1       -2.674   0.776  -0.364  0.00  0.00    -0.202 OA
BRANCH  19  22
ATOM     21  C   LIG    1       -2.088   2.275  -2.489  0.00  0.00    +0.284 C 
ATOM     22  O   LIG    1       -1.413   1.038  -2.264  0.00  0.00    -0.437 OA
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6