@MOLECULE 1,2-phenylenebis(phosphonic acid) 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.8092 -0.7474 0.0969 P.3 1 UNL1111111111 0.2843 2 P 1.8048 -0.7534 -0.0950 P.3 1 UNL1111111111 0.2855 3 O -3.2556 -0.0584 0.0996 O.3 1 UNL1111111111 -0.3503 4 O -1.8310 -1.4158 -1.3590 O.3 1 UNL1111111111 -0.3902 5 O 3.2544 -0.0751 -0.1455 O.3 1 UNL1111111111 -0.3487 6 O 1.8538 -1.3906 1.3748 O.3 1 UNL1111111111 -0.3905 7 O -1.5668 -1.6859 1.1924 O.2 1 UNL1111111111 -0.3606 8 O 1.5304 -1.7157 -1.1629 O.2 1 UNL1111111111 -0.3641 9 C -0.7101 0.7310 0.0107 C.ar 1 UNL1111111111 0.0785 10 C 0.7161 0.7306 -0.0122 C.ar 1 UNL1111111111 0.0769 11 C -1.3873 1.9645 0.0086 C.ar 1 UNL1111111111 -0.0986 12 C 1.3966 1.9621 -0.0089 C.ar 1 UNL1111111111 -0.0974 13 C -0.6865 3.1712 0.0016 C.ar 1 UNL1111111111 -0.1594 14 C 0.6985 3.1703 -0.0019 C.ar 1 UNL1111111111 -0.1605 15 H -2.4855 2.0452 0.0101 H 1 UNL1111111111 0.1751 16 H 2.4949 2.0391 -0.0095 H 1 UNL1111111111 0.1748 17 H -1.2352 4.1112 -0.0001 H 1 UNL1111111111 0.1483 18 H 1.2486 4.1095 -0.0000 H 1 UNL1111111111 0.1484 19 H -3.9509 -0.8161 0.0993 H 1 UNL1111111111 0.3293 20 H -0.9040 -1.8351 -1.5350 H 1 UNL1111111111 0.3455 21 H 3.9443 -0.8375 -0.1589 H 1 UNL1111111111 0.3294 22 H 0.9336 -1.8147 1.5711 H 1 UNL1111111111 0.3443 @BOND 1 1 3 1 2 1 4 1 3 1 7 2 4 1 9 1 5 2 5 1 6 2 6 1 7 2 8 2 8 2 10 1 9 3 19 1 10 4 20 1 11 5 21 1 12 6 22 1 13 9 10 ar 14 9 11 ar 15 10 12 ar 16 11 13 ar 17 11 15 1 18 12 14 ar 19 12 16 1 20 13 14 ar 21 13 17 1 22 14 18 1