@MOLECULE s-[2-(diisopropylamino)ethyl] o-ethyl o-methyl phosphorothioate 43 42 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.9790 1.2057 0.7829 S.3 1 UNL111111 0.1103 2 P 2.0813 -0.1275 -0.4442 P.3 1 UNL111111 0.2029 3 O 3.4188 0.5975 -0.9414 O.3 1 UNL111111 -0.2647 4 O 2.4506 -1.1366 0.7518 O.3 1 UNL111111 -0.3252 5 O 1.5009 -0.7187 -1.6541 O.2 1 UNL111111 -0.2860 6 N -2.9427 0.0419 0.3378 N.3 1 UNL111111 -0.5058 7 C -4.0757 0.8576 -0.1439 C.3 1 UNL111111 0.1154 8 C -3.1035 -1.4248 0.2165 C.3 1 UNL111111 0.1106 9 C -1.6141 0.5025 -0.1262 C.3 1 UNL111111 -0.0892 10 C -4.1643 2.1101 0.7525 C.3 1 UNL111111 -0.4642 11 C -4.0073 1.2902 -1.6223 C.3 1 UNL111111 -0.5019 12 C -4.1985 -1.8918 1.1939 C.3 1 UNL111111 -0.4671 13 C -3.4085 -1.9446 -1.1997 C.3 1 UNL111111 -0.4999 14 C -0.6663 0.3993 1.0806 C.3 1 UNL111111 -0.2903 15 C 4.3845 1.2942 -0.1388 C.3 1 UNL111111 -0.0033 16 C 3.0834 -2.4080 0.5501 C.3 1 UNL111111 -0.1629 17 C 5.4568 0.3442 0.3854 C.3 1 UNL111111 -0.4781 18 H -5.0130 0.2566 0.0016 H 1 UNL111111 0.1307 19 H -2.1277 -1.8783 0.5504 H 1 UNL111111 0.1351 20 H -1.2490 -0.0919 -0.9935 H 1 UNL111111 0.1439 21 H -1.6724 1.5567 -0.4763 H 1 UNL111111 0.1467 22 H -4.2387 1.8206 1.8075 H 1 UNL111111 0.1534 23 H -5.0412 2.7112 0.4996 H 1 UNL111111 0.1398 24 H -3.2763 2.7419 0.6550 H 1 UNL111111 0.1476 25 H -4.9653 1.7104 -1.9443 H 1 UNL111111 0.1476 26 H -3.2446 2.0567 -1.7920 H 1 UNL111111 0.1516 27 H -3.7763 0.4466 -2.2796 H 1 UNL111111 0.1536 28 H -4.1491 -2.9743 1.3430 H 1 UNL111111 0.1439 29 H -4.0748 -1.4077 2.1708 H 1 UNL111111 0.1575 30 H -5.2034 -1.6505 0.8359 H 1 UNL111111 0.1435 31 H -2.6430 -1.6237 -1.9153 H 1 UNL111111 0.1545 32 H -4.3792 -1.5946 -1.5621 H 1 UNL111111 0.1480 33 H -3.4299 -3.0394 -1.2131 H 1 UNL111111 0.1506 34 H -0.5738 -0.6472 1.4248 H 1 UNL111111 0.1681 35 H -1.0933 0.9574 1.9401 H 1 UNL111111 0.1754 36 H 4.7944 1.9666 -0.9307 H 1 UNL111111 0.1351 37 H 3.9682 1.9227 0.6680 H 1 UNL111111 0.1221 38 H 6.3547 0.8939 0.6859 H 1 UNL111111 0.1440 39 H 5.1105 -0.2266 1.2566 H 1 UNL111111 0.1576 40 H 5.7517 -0.3812 -0.3851 H 1 UNL111111 0.1602 41 H 3.1044 -2.7786 1.5890 H 1 UNL111111 0.1311 42 H 2.4958 -3.0912 -0.0786 H 1 UNL111111 0.1342 43 H 4.1068 -2.3215 0.1627 H 1 UNL111111 0.1238 @BOND 1 27 11 1 2 25 11 1 3 31 13 1 4 26 11 1 5 5 2 2 6 11 7 1 7 32 13 1 8 33 13 1 9 13 8 1 10 20 9 1 11 3 2 1 12 3 15 1 13 36 15 1 14 21 9 1 15 2 4 1 16 2 1 1 17 40 17 1 18 7 18 1 19 7 6 1 20 7 10 1 21 15 17 1 22 15 37 1 23 9 6 1 24 9 14 1 25 42 16 1 26 43 16 1 27 8 6 1 28 8 19 1 29 8 12 1 30 17 38 1 31 17 39 1 32 23 10 1 33 16 4 1 34 16 41 1 35 24 10 1 36 10 22 1 37 1 14 1 38 30 12 1 39 14 34 1 40 14 35 1 41 12 28 1 42 12 29 1