@MOLECULE o-hexyl s-methyl phosphoramidothioate 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 S -2.9471 -1.1301 0.7036 S.3 1 UNL111111 0.1078 2 P -2.1809 0.6624 -0.1606 P.3 1 UNL111111 0.1952 3 O -0.6067 0.5368 -0.4503 O.3 1 UNL111111 -0.2795 4 O -2.7431 1.0942 -1.4492 O.2 1 UNL111111 -0.3414 5 N -2.2805 1.7354 1.1708 N.3 1 UNL111111 -0.5322 6 C 2.8911 -0.1014 0.4968 C.3 1 UNL111111 -0.2698 7 C 4.1617 -0.0141 -0.3586 C.3 1 UNL111111 -0.2711 8 C 1.6600 0.2648 -0.3363 C.3 1 UNL111111 -0.2987 9 C 5.4001 -0.3901 0.4660 C.3 1 UNL111111 -0.2533 10 C 0.3914 0.1659 0.5272 C.3 1 UNL111111 -0.0288 11 C 6.6673 -0.3030 -0.3845 C.3 1 UNL111111 -0.4404 12 C -3.4345 -2.1803 -0.7356 C.3 1 UNL111111 -0.4582 13 H 2.9769 0.5741 1.3687 H 1 UNL111111 0.1354 14 H 2.7845 -1.1220 0.9097 H 1 UNL111111 0.1351 15 H 4.0760 -0.6814 -1.2366 H 1 UNL111111 0.1391 16 H 4.2761 1.0076 -0.7667 H 1 UNL111111 0.1392 17 H 1.5649 -0.4014 -1.2158 H 1 UNL111111 0.1548 18 H 1.7525 1.2873 -0.7507 H 1 UNL111111 0.1548 19 H 5.4881 0.2774 1.3437 H 1 UNL111111 0.1328 20 H 5.2883 -1.4127 0.8728 H 1 UNL111111 0.1327 21 H 0.2420 -0.8626 0.9051 H 1 UNL111111 0.1242 22 H 0.4250 0.8684 1.3802 H 1 UNL111111 0.1256 23 H 7.5555 -0.5746 0.1963 H 1 UNL111111 0.1403 24 H 6.6186 -0.9780 -1.2465 H 1 UNL111111 0.1434 25 H 6.8229 0.7113 -0.7689 H 1 UNL111111 0.1434 26 H -3.2561 2.0482 1.3654 H 1 UNL111111 0.2787 27 H -1.7104 2.5958 1.0049 H 1 UNL111111 0.2820 28 H -3.9055 -3.0727 -0.3073 H 1 UNL111111 0.1638 29 H -2.5775 -2.4991 -1.3411 H 1 UNL111111 0.1697 30 H -4.1604 -1.6989 -1.4040 H 1 UNL111111 0.1755 @BOND 1 4 2 2 2 30 12 1 3 29 12 1 4 24 11 1 5 15 7 1 6 17 8 1 7 25 11 1 8 16 7 1 9 18 8 1 10 12 28 1 11 12 1 1 12 3 2 1 13 3 10 1 14 11 23 1 15 11 9 1 16 7 9 1 17 7 6 1 18 8 6 1 19 8 10 1 20 2 1 1 21 2 5 1 22 9 20 1 23 9 19 1 24 6 14 1 25 6 13 1 26 10 21 1 27 10 22 1 28 27 5 1 29 5 26 1