@MOLECULE 1,12-dodecanediylbis(phosphonic acid) 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 P -8.5473 0.1053 0.0816 P.3 1 UNL1111111111 0.2563 2 P 8.5428 -0.0761 -0.1244 P.3 1 UNL1111111111 0.2562 3 O -8.5644 0.6699 -1.4231 O.3 1 UNL1111111111 -0.4099 4 O -9.4578 -1.2191 0.0000 O.3 1 UNL1111111111 -0.4228 5 O 9.4350 1.2633 -0.1033 O.3 1 UNL1111111111 -0.4227 6 O 8.7016 -0.6555 1.3660 O.3 1 UNL1111111111 -0.4099 7 O -9.0233 1.0732 1.0726 O.2 1 UNL1111111111 -0.3576 8 O 8.9481 -1.0263 -1.1630 O.2 1 UNL1111111111 -0.3583 9 C -0.6496 0.3887 0.0124 C.3 1 UNL1111111111 -0.2756 10 C 0.6431 -0.4359 0.0419 C.3 1 UNL1111111111 -0.2757 11 C -1.8812 -0.5256 0.0260 C.3 1 UNL1111111111 -0.2777 12 C 1.8747 0.4782 0.0636 C.3 1 UNL1111111111 -0.2778 13 C -3.1679 0.3089 -0.0087 C.3 1 UNL1111111111 -0.2708 14 C 3.1631 -0.3533 0.0410 C.3 1 UNL1111111111 -0.2708 15 C -4.4054 -0.5941 0.0711 C.3 1 UNL1111111111 -0.2776 16 C 4.3949 0.5599 0.0159 C.3 1 UNL1111111111 -0.2776 17 C -5.6847 0.2596 0.0406 C.3 1 UNL1111111111 -0.2321 18 C 5.6843 -0.2780 -0.0086 C.3 1 UNL1111111111 -0.2324 19 C -6.9077 -0.6916 0.1130 C.3 1 UNL1111111111 -0.1515 20 C 6.8943 0.6929 -0.0124 C.3 1 UNL1111111111 -0.1520 21 H -0.6788 1.0755 0.8789 H 1 UNL1111111111 0.1374 22 H -0.6663 1.0333 -0.8862 H 1 UNL1111111111 0.1374 23 H 0.6832 -1.1051 -0.8380 H 1 UNL1111111111 0.1376 24 H 0.6494 -1.0989 0.9272 H 1 UNL1111111111 0.1372 25 H -1.8513 -1.2162 -0.8371 H 1 UNL1111111111 0.1366 26 H -1.8660 -1.1660 0.9275 H 1 UNL1111111111 0.1366 27 H 1.8502 1.1649 -0.8031 H 1 UNL1111111111 0.1368 28 H 1.8525 1.1227 0.9618 H 1 UNL1111111111 0.1364 29 H -3.1714 1.0313 0.8295 H 1 UNL1111111111 0.1385 30 H -3.1985 0.9165 -0.9326 H 1 UNL1111111111 0.1380 31 H 3.1668 -1.0212 -0.8420 H 1 UNL1111111111 0.1388 32 H 3.1989 -1.0196 0.9235 H 1 UNL1111111111 0.1378 33 H -4.4037 -1.3121 -0.7697 H 1 UNL1111111111 0.1370 34 H -4.3717 -1.2017 0.9942 H 1 UNL1111111111 0.1365 35 H 4.3537 1.2230 -0.8682 H 1 UNL1111111111 0.1369 36 H 4.3878 1.2247 0.8994 H 1 UNL1111111111 0.1367 37 H -5.6647 0.9815 0.8840 H 1 UNL1111111111 0.1522 38 H -5.6913 0.8757 -0.8837 H 1 UNL1111111111 0.1543 39 H 5.6725 -0.9416 -0.8990 H 1 UNL1111111111 0.1536 40 H 5.7009 -0.9552 0.8712 H 1 UNL1111111111 0.1527 41 H -6.8480 -1.3073 1.0623 H 1 UNL1111111111 0.1840 42 H -6.8587 -1.4244 -0.7501 H 1 UNL1111111111 0.1884 43 H 6.8632 1.3257 0.9271 H 1 UNL1111111111 0.1881 44 H 6.7966 1.4089 -0.8858 H 1 UNL1111111111 0.1853 45 H -9.3302 1.3235 -1.5445 H 1 UNL1111111111 0.3190 46 H -10.4251 -0.9906 0.2018 H 1 UNL1111111111 0.3235 47 H 10.3884 1.0508 -0.3760 H 1 UNL1111111111 0.3234 48 H 9.4825 -1.3028 1.4075 H 1 UNL1111111111 0.3195 @BOND 1 1 3 1 2 1 4 1 3 1 7 2 4 1 19 1 5 2 5 1 6 2 6 1 7 2 8 2 8 2 20 1 9 3 45 1 10 4 46 1 11 5 47 1 12 6 48 1 13 9 10 1 14 9 11 1 15 9 21 1 16 9 22 1 17 10 12 1 18 10 23 1 19 10 24 1 20 11 13 1 21 11 25 1 22 11 26 1 23 12 14 1 24 12 27 1 25 12 28 1 26 13 15 1 27 13 29 1 28 13 30 1 29 14 16 1 30 14 31 1 31 14 32 1 32 15 17 1 33 15 33 1 34 15 34 1 35 16 18 1 36 16 35 1 37 16 36 1 38 17 19 1 39 17 37 1 40 17 38 1 41 18 20 1 42 18 39 1 43 18 40 1 44 19 41 1 45 19 42 1 46 20 43 1 47 20 44 1