REMARK  Name = BDB046152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.396  -0.847   1.215  0.00  0.00    +0.232 A 
ATOM      2  C   LIG    1        1.017  -1.871   1.927  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        1.737  -2.864   1.263  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        2.311  -3.826   2.080  0.00  0.00    -0.247 NA
ATOM      5  C   LIG    1        2.020  -3.570   3.335  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1        1.829  -2.826  -0.135  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        1.193  -1.779  -0.784  0.00  0.00    +0.080 A 
ATOM      8  S   LIG    1        1.078  -2.172   3.624  0.00  0.00    -0.070 S 
ATOM      9  N   LIG    1        0.499  -0.818  -0.133  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.239  -1.653  -2.232  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        0.538  -0.711  -2.960  0.00  0.00    +0.124 A 
ATOM     12  N   LIG    1        0.838  -0.922  -4.279  0.00  0.00    -0.211 N 
ATOM     13  N   LIG    1        1.711  -1.944  -4.460  0.00  0.00    -0.174 NA
ATOM     14  C   LIG    1        1.946  -2.380  -3.218  0.00  0.00    +0.144 A 
BRANCH  12  15
ATOM     15  C   LIG    1        0.306  -0.178  -5.416  0.00  0.00    +0.464 C 
ATOM     16  F   LIG    1        0.249   1.157  -5.153  0.00  0.00    -0.183 F 
ATOM     17  F   LIG    1       -0.963  -0.568  -5.706  0.00  0.00    -0.183 F 
ENDBRANCH  12  15
ENDBRANCH   7  10
BRANCH   1  18
ATOM     18  O   LIG    1       -0.312   0.131   1.881  0.00  0.00    -0.469 OA
BRANCH  18  20
ATOM     19  C   LIG    1        0.203   2.262   0.829  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -0.852   1.178   1.058  0.00  0.00    +0.214 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.112   1.699   1.766  0.00  0.00    +0.235 C 
ATOM     22  O   LIG    1       -2.683   2.833   1.090  0.00  0.00    -0.442 OA
ATOM     23  C   LIG    1       -3.183   3.679   2.038  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1       -3.795   4.706   1.806  0.00  0.00    -0.226 OA
ATOM     25  N   LIG    1       -2.869   3.220   3.288  0.00  0.00    -0.277 N 
ATOM     26  H   LIG    1       -2.975   3.853   4.070  0.00  0.00    +0.152 HD
ATOM     27  C   LIG    1       -1.910   2.173   3.192  0.00  0.00    +0.156 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5