@MOLECULE (5R)-5,6,6-trimethyl-2-(trichloromethyl)-5H-1,4,3-oxathiazine 4,4-dioxide 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 S1 2.0184 -1.2339 -0.0079 S.O2 1 UNCH11111 2.3223 2 CL1 -2.6027 -1.7119 0.1987 Cl 1 UNCH11111 0.0152 3 CL2 -2.3963 0.8995 1.3447 Cl 1 UNCH11111 -0.0468 4 CL3 -2.5539 0.5779 -1.5088 Cl 1 UNCH11111 -0.0336 5 O1 0.0095 1.1191 -0.3200 O.2 1 UNCH11111 -0.4476 6 O2 2.4756 -1.3742 1.3469 O.2 1 UNCH11111 -0.8612 7 O3 2.4167 -2.1358 -1.0496 O.2 1 UNCH11111 -0.8387 8 N1 0.2750 -1.1875 0.0441 N.2 1 UNCH11111 -0.7467 9 C1 -1.9335 -0.1157 -0.0190 C.3 1 UNCH11111 0.0752 10 C2 -0.4251 -0.1376 -0.0765 C.2 1 UNCH11111 0.4318 11 C3 1.3754 1.4940 0.0003 C.3 1 UNCH11111 0.3502 12 C4 2.3570 0.4587 -0.5817 C.3 1 UNCH11111 -0.5013 13 C5 3.7984 0.8306 -0.2624 C.3 1 UNCH11111 -0.4259 14 C6 1.4609 2.8338 -0.7343 C.3 1 UNCH11111 -0.4772 15 C7 1.4429 1.6781 1.5092 C.3 1 UNCH11111 -0.5170 16 H71 1.4355 0.7349 2.0762 H 1 UNCH11111 0.1878 17 H51 4.0334 1.8532 -0.5876 H 1 UNCH11111 0.1519 18 H61 1.4111 2.7092 -1.8232 H 1 UNCH11111 0.1646 19 H52 4.0225 0.7769 0.8152 H 1 UNCH11111 0.1689 20 H53 4.5209 0.1759 -0.7740 H 1 UNCH11111 0.1626 21 H62 2.3840 3.3693 -0.4908 H 1 UNCH11111 0.1614 22 H72 0.5868 2.2669 1.8704 H 1 UNCH11111 0.1725 23 H63 0.6173 3.4842 -0.4564 H 1 UNCH11111 0.1723 24 H73 2.3533 2.2117 1.8099 H 1 UNCH11111 0.1687 25 H4 2.2307 0.4559 -1.6971 H 1 UNCH11111 0.1906 @BOND 1 1 6 2 2 1 7 2 3 1 8 1 4 1 12 1 5 2 9 1 6 3 9 1 7 4 9 1 8 5 10 1 9 5 11 1 10 8 10 2 11 9 10 1 12 11 12 1 13 11 14 1 14 11 15 1 15 12 13 1 16 12 25 1 17 13 17 1 18 13 19 1 19 13 20 1 20 14 18 1 21 14 21 1 22 14 23 1 23 15 16 1 24 15 22 1 25 15 24 1