@MOLECULE prosultiamine 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.0236 1.4350 0.5510 S.3 1 UNL1111111111 -0.0030 2 S 3.5188 1.5593 -0.7671 S.3 1 UNL1111111111 0.0023 3 O -1.9527 2.4694 -1.3762 O.3 1 UNL1111111111 -0.5393 4 O -0.9891 -2.8812 -2.1057 O.2 1 UNL1111111111 -0.5057 5 N -0.1298 -1.9092 -0.2595 N.am 1 UNL1111111111 -0.5229 6 N -3.4851 0.7388 1.3055 N.ar 1 UNL1111111111 -0.5711 7 N -4.2902 -0.3535 -0.6658 N.ar 1 UNL1111111111 -0.5104 8 N -1.6655 -0.0422 2.5026 N.pl3 1 UNL1111111111 -0.5855 9 C 0.7664 -0.9496 0.3039 C.2 1 UNL1111111111 0.2106 10 C -1.3098 -2.2978 0.5353 C.3 1 UNL1111111111 -0.0235 11 C 0.8045 0.3294 -0.1226 C.2 1 UNL1111111111 -0.1940 12 C -0.1200 0.9219 -1.1245 C.3 1 UNL1111111111 -0.3295 13 C -2.3755 -1.2540 0.4790 C.ar 1 UNL1111111111 -0.3656 14 C 1.6457 -1.5302 1.3656 C.3 1 UNL1111111111 -0.4691 15 C -0.7905 2.2149 -0.6167 C.3 1 UNL1111111111 0.0132 16 C -2.4905 -0.1955 1.4162 C.ar 1 UNL1111111111 0.4407 17 C -3.3188 -1.2760 -0.5552 C.ar 1 UNL1111111111 0.1706 18 C -0.1166 -2.1913 -1.6260 C.2 1 UNL1111111111 0.4767 19 C 4.5988 0.0898 -0.6299 C.3 1 UNL1111111111 -0.3391 20 C 5.2889 -0.0508 0.7224 C.3 1 UNL1111111111 -0.2516 21 C -4.3501 0.6290 0.2751 C.ar 1 UNL1111111111 0.4290 22 C 6.1775 -1.2971 0.7319 C.3 1 UNL1111111111 -0.4415 23 C -5.4219 1.6573 0.1528 C.3 1 UNL1111111111 -0.4418 24 H -1.6935 -3.2722 0.1270 H 1 UNL1111111111 0.1836 25 H -0.9942 -2.5165 1.5808 H 1 UNL1111111111 0.1442 26 H 0.4081 1.1378 -2.0811 H 1 UNL1111111111 0.1773 27 H -0.9266 0.2115 -1.4160 H 1 UNL1111111111 0.1650 28 H 2.6875 -1.6191 1.0145 H 1 UNL1111111111 0.1743 29 H 1.3416 -2.5483 1.6563 H 1 UNL1111111111 0.1728 30 H 1.6705 -0.9249 2.2823 H 1 UNL1111111111 0.1686 31 H -0.1741 3.1142 -0.8081 H 1 UNL1111111111 0.1560 32 H -1.0552 2.1613 0.4531 H 1 UNL1111111111 0.1189 33 H -3.2957 -2.0541 -1.3389 H 1 UNL1111111111 0.2024 34 H 0.7434 -1.8096 -2.1915 H 1 UNL1111111111 0.1411 35 H 4.0340 -0.8266 -0.8805 H 1 UNL1111111111 0.1574 36 H 5.3521 0.2113 -1.4367 H 1 UNL1111111111 0.1698 37 H 4.5533 -0.1191 1.5486 H 1 UNL1111111111 0.1444 38 H 5.9028 0.8453 0.9478 H 1 UNL1111111111 0.1495 39 H -1.7759 0.7695 3.0856 H 1 UNL1111111111 0.3218 40 H -0.7793 -0.5016 2.5199 H 1 UNL1111111111 0.3069 41 H 5.5973 -2.2101 0.5581 H 1 UNL1111111111 0.1434 42 H 6.9531 -1.2459 -0.0411 H 1 UNL1111111111 0.1472 43 H 6.6871 -1.4113 1.6959 H 1 UNL1111111111 0.1468 44 H -6.0545 1.6789 1.0553 H 1 UNL1111111111 0.1800 45 H -4.9932 2.6677 0.0410 H 1 UNL1111111111 0.1822 46 H -6.0733 1.4653 -0.7167 H 1 UNL1111111111 0.1860 47 H -2.6512 1.8221 -1.1517 H 1 UNL1111111111 0.3112 @BOND 1 1 2 1 2 1 11 1 3 2 19 1 4 3 15 1 5 3 47 1 6 4 18 2 7 5 9 1 8 5 10 1 9 5 18 am 10 6 16 ar 11 6 21 ar 12 7 17 ar 13 7 21 ar 14 8 16 1 15 8 39 1 16 8 40 1 17 9 11 2 18 9 14 1 19 10 13 1 20 10 24 1 21 10 25 1 22 11 12 1 23 12 15 1 24 12 26 1 25 12 27 1 26 13 16 ar 27 13 17 ar 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 17 33 1 34 18 34 1 35 19 20 1 36 19 35 1 37 19 36 1 38 20 22 1 39 20 37 1 40 20 38 1 41 21 23 1 42 22 41 1 43 22 42 1 44 22 43 1 45 23 44 1 46 23 45 1 47 23 46 1