@MOLECULE ethyl(isohexyl)phosphane 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9572 -0.0093 -0.2706 C.3 1 UNL11111111 -0.4000 2 C 3.5526 0.6144 -0.3608 C.3 1 UNL11111111 -0.2621 3 P 2.1582 -0.4228 0.4390 P.3 1 UNL11111111 -0.5389 4 C 0.5547 0.4567 -0.1048 C.3 1 UNL11111111 -0.2873 5 C -0.7521 -0.2870 0.2642 C.3 1 UNL11111111 -0.2319 6 C -1.9457 0.5778 -0.1741 C.3 1 UNL11111111 -0.2927 7 C -3.2819 -0.0485 0.2723 C.3 1 UNL11111111 -0.0522 8 C -4.4118 0.9749 0.0993 C.3 1 UNL11111111 -0.4553 9 C -3.5973 -1.3128 -0.5341 C.3 1 UNL11111111 -0.4525 10 H 5.6954 0.6991 -0.6776 H 1 UNL11111111 0.1533 11 H 5.2799 -0.2270 0.7600 H 1 UNL11111111 0.1657 12 H 5.0663 -0.9360 -0.8509 H 1 UNL11111111 0.1525 13 H 3.5812 1.6180 0.1531 H 1 UNL11111111 0.1899 14 H 3.3311 0.8386 -1.4367 H 1 UNL11111111 0.1710 15 H 2.1550 -1.6600 -0.3898 H 1 UNL11111111 0.1960 16 H 0.5275 1.4720 0.3855 H 1 UNL11111111 0.1921 17 H 0.5479 0.6587 -1.2071 H 1 UNL11111111 0.1731 18 H -0.8230 -1.2778 -0.2288 H 1 UNL11111111 0.1469 19 H -0.8275 -0.4823 1.3557 H 1 UNL11111111 0.1590 20 H -1.8539 1.5922 0.2585 H 1 UNL11111111 0.1406 21 H -1.9419 0.7128 -1.2710 H 1 UNL11111111 0.1409 22 H -3.2098 -0.3189 1.3540 H 1 UNL11111111 0.1327 23 H -4.5203 1.2818 -0.9460 H 1 UNL11111111 0.1439 24 H -5.3736 0.5608 0.4206 H 1 UNL11111111 0.1428 25 H -4.2294 1.8766 0.6933 H 1 UNL11111111 0.1424 26 H -2.8411 -2.0896 -0.3801 H 1 UNL11111111 0.1428 27 H -4.5636 -1.7374 -0.2409 H 1 UNL11111111 0.1430 28 H -3.6436 -1.1038 -1.6079 H 1 UNL11111111 0.1445 @BOND 1 28 9 1 2 14 2 1 3 21 6 1 4 17 4 1 5 23 8 1 6 12 1 1 7 10 1 1 8 9 26 1 9 9 27 1 10 9 7 1 11 15 3 1 12 2 1 1 13 2 13 1 14 2 3 1 15 1 11 1 16 18 5 1 17 6 20 1 18 6 5 1 19 6 7 1 20 4 5 1 21 4 16 1 22 4 3 1 23 8 7 1 24 8 24 1 25 8 25 1 26 5 19 1 27 7 22 1