@MOLECULE (6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)-1-pyrrolidinyl]sulfonyl}-d-glucitol 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.1808 -1.3876 -0.3470 C.3 1 UNL111111111 0.0495 2 C -2.7204 -1.5133 -0.8209 C.3 1 UNL111111111 0.0012 3 C -1.8724 -2.4785 0.0209 C.3 1 UNL111111111 -0.0321 4 O 3.8449 0.4710 0.1100 O.3 1 UNL111111111 -0.7198 5 S 5.1345 -0.4780 0.5110 S.O2 1 UNL111111111 2.5033 6 O 6.1683 0.4030 0.9656 O.2 1 UNL111111111 -0.8535 7 O 4.6391 -1.5878 1.2775 O.2 1 UNL111111111 -0.9034 8 N 5.5818 -1.1016 -1.0260 N.3 1 UNL111111111 -0.9638 9 O -4.1086 1.5746 -0.2664 O.3 1 UNL111111111 -0.5169 10 C -3.5509 0.8101 0.7711 C.3 1 UNL111111111 0.0986 11 C -4.3111 -0.5327 0.9285 C.3 1 UNL111111111 0.0722 12 O -5.6605 -0.1573 1.1116 O.3 1 UNL111111111 -0.5668 13 O -4.6682 -2.6555 0.0473 O.3 1 UNL111111111 -0.5730 14 O -0.5274 -2.4085 -0.3942 O.3 1 UNL111111111 -0.5584 15 O -2.1097 -0.2403 -0.8613 O.3 1 UNL111111111 -0.3409 16 C -2.1177 0.4615 0.3623 C.3 1 UNL111111111 -0.2287 17 S -0.9481 1.8329 0.0411 S.O2 1 UNL111111111 2.2970 18 O -1.2319 2.6576 -1.0947 O.2 1 UNL111111111 -0.8323 19 O -0.6923 2.3786 1.3516 O.2 1 UNL111111111 -0.9027 20 N 0.4142 0.8211 -0.3879 N.3 1 UNL111111111 -0.7749 21 C 1.5299 0.6783 0.5675 C.3 1 UNL111111111 -0.1111 22 C 0.9826 0.9710 -1.7502 C.3 1 UNL111111111 -0.0657 23 C 2.3308 0.2234 -1.7245 C.3 1 UNL111111111 -0.3346 24 C 2.6007 -0.1001 -0.2413 C.3 1 UNL111111111 0.2016 25 H -4.8233 -0.9735 -1.1556 H 1 UNL111111111 0.1488 26 H -1.9225 -2.2718 1.1035 H 1 UNL111111111 0.1240 27 H 6.3324 -0.6617 -1.5269 H 1 UNL111111111 0.3053 28 H 5.5687 -2.0965 -1.1626 H 1 UNL111111111 0.3056 29 H -5.0893 1.6082 -0.1608 H 1 UNL111111111 0.3359 30 H -3.6020 1.4055 1.7134 H 1 UNL111111111 0.1538 31 H -3.9823 -1.0988 1.8277 H 1 UNL111111111 0.1417 32 H -6.2305 -0.9578 1.1220 H 1 UNL111111111 0.3408 33 H -4.8228 -3.2343 -0.7242 H 1 UNL111111111 0.3277 34 H -0.2381 -1.4649 -0.4855 H 1 UNL111111111 0.3466 35 H -1.6576 -0.1592 1.1741 H 1 UNL111111111 0.1586 36 H 1.9501 1.6467 0.9263 H 1 UNL111111111 0.1657 37 H 1.1933 0.1154 1.4614 H 1 UNL111111111 0.1491 38 H 0.2732 0.5256 -2.4805 H 1 UNL111111111 0.1463 39 H 1.1253 2.0340 -2.0436 H 1 UNL111111111 0.1421 40 H 2.3028 -0.6893 -2.3383 H 1 UNL111111111 0.1473 41 H 3.1447 0.8494 -2.1350 H 1 UNL111111111 0.1701 42 H 2.5720 -1.1869 -0.0275 H 1 UNL111111111 0.1380 43 H -2.6653 -1.7932 -1.9010 H 1 UNL111111111 0.1610 44 H -2.1508 -3.5342 -0.1505 H 1 UNL111111111 0.1466 @BOND 1 1 13 1 2 1 2 1 3 1 25 1 4 2 15 1 5 2 3 1 6 2 43 1 7 3 14 1 8 3 26 1 9 3 44 1 10 4 5 1 11 5 6 2 12 5 7 2 13 8 5 1 14 8 27 1 15 8 28 1 16 9 10 1 17 9 29 1 18 10 16 1 19 10 30 1 20 11 1 1 21 11 10 1 22 11 31 1 23 12 11 1 24 12 32 1 25 13 33 1 26 14 34 1 27 16 17 1 28 16 15 1 29 16 35 1 30 17 20 1 31 18 17 2 32 19 17 2 33 20 22 1 34 20 21 1 35 21 24 1 36 21 36 1 37 21 37 1 38 22 23 1 39 22 38 1 40 22 39 1 41 23 24 1 42 23 40 1 43 23 41 1 44 24 4 1 45 24 42 1