@MOLECULE (z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-iminothiazolidin-4-one 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6041 0.0101 1.1225 S.3 1 UNL111111111111 0.0618 2 O 3.7124 -0.0781 0.4914 O.3 1 UNL111111111111 -0.4887 3 O -4.2816 -0.0549 -2.3410 O.2 1 UNL111111111111 -0.3996 4 N -4.9663 -0.0243 -0.1363 N.am 1 UNL111111111111 -0.5985 5 N -5.1771 0.0118 2.2030 N.pl3 1 UNL111111111111 -0.5700 6 C 2.5484 -2.5332 0.1072 C.3 1 UNL111111111111 0.1445 7 C 2.4821 2.5647 0.0823 C.3 1 UNL111111111111 0.1291 8 C 1.8153 -1.2387 -0.1813 C.ar 1 UNL111111111111 -0.0952 9 C 1.7985 1.2408 -0.1921 C.ar 1 UNL111111111111 -0.1628 10 C 2.4365 0.0100 0.0369 C.ar 1 UNL111111111111 0.2620 11 C 3.7993 -2.6181 -0.7856 C.3 1 UNL111111111111 -0.4582 12 C 2.9394 -2.5748 1.5957 C.3 1 UNL111111111111 -0.4598 13 C 1.6784 -3.7735 -0.1819 C.3 1 UNL111111111111 -0.4673 14 C 1.5750 3.7743 -0.2200 C.3 1 UNL111111111111 -0.4594 15 C 3.7288 2.6977 -0.8139 C.3 1 UNL111111111111 -0.4641 16 C 2.8593 2.6478 1.5743 C.3 1 UNL111111111111 -0.4679 17 C 0.5131 -1.2255 -0.6637 C.ar 1 UNL111111111111 -0.1178 18 C 0.4923 1.1984 -0.6794 C.ar 1 UNL111111111111 -0.1074 19 C -0.1417 -0.0179 -0.9122 C.ar 1 UNL111111111111 -0.1148 20 C -1.5124 -0.0338 -1.4273 C.2 1 UNL111111111111 -0.0084 21 C -2.5891 -0.0215 -0.6420 C.2 1 UNL111111111111 -0.2902 22 C -4.0020 -0.0363 -1.1749 C.2 1 UNL111111111111 0.5843 23 C -4.4440 -0.0026 1.0674 C.2 1 UNL111111111111 0.3693 24 H 4.5292 -1.8388 -0.5367 H 1 UNL111111111111 0.1609 25 H 3.5386 -2.4980 -1.8420 H 1 UNL111111111111 0.1450 26 H 4.3041 -3.5817 -0.6687 H 1 UNL111111111111 0.1423 27 H 2.0645 -2.4272 2.2368 H 1 UNL111111111111 0.1441 28 H 3.3943 -3.5350 1.8582 H 1 UNL111111111111 0.1424 29 H 3.6667 -1.7939 1.8473 H 1 UNL111111111111 0.1613 30 H 1.3860 -3.8250 -1.2357 H 1 UNL111111111111 0.1468 31 H 0.7722 -3.7822 0.4327 H 1 UNL111111111111 0.1465 32 H 2.2294 -4.6935 0.0439 H 1 UNL111111111111 0.1476 33 H 2.0901 4.7156 0.0035 H 1 UNL111111111111 0.1480 34 H 1.2860 3.8098 -1.2763 H 1 UNL111111111111 0.1507 35 H 0.6620 3.7565 0.3861 H 1 UNL111111111111 0.1508 36 H 4.4942 1.9426 -0.6071 H 1 UNL111111111111 0.1369 37 H 4.2015 3.6784 -0.6912 H 1 UNL111111111111 0.1513 38 H 3.4558 2.5923 -1.8719 H 1 UNL111111111111 0.1592 39 H 3.5450 1.8578 1.8948 H 1 UNL111111111111 0.1410 40 H 1.9634 2.5593 2.2024 H 1 UNL111111111111 0.1581 41 H 3.3341 3.6064 1.8081 H 1 UNL111111111111 0.1502 42 H -0.0213 -2.1572 -0.8555 H 1 UNL111111111111 0.1683 43 H -0.0576 2.1179 -0.8843 H 1 UNL111111111111 0.1652 44 H -1.6100 -0.0575 -2.5236 H 1 UNL111111111111 0.1859 45 H 4.1497 0.8074 0.6008 H 1 UNL111111111111 0.3320 46 H -6.1824 0.0021 2.1473 H 1 UNL111111111111 0.3262 47 H -4.7642 0.0224 3.1109 H 1 UNL111111111111 0.3184 @BOND 1 1 21 1 2 1 23 1 3 2 10 1 4 2 45 1 5 3 22 2 6 4 22 1 7 4 23 2 8 5 23 1 9 5 46 1 10 5 47 1 11 6 8 1 12 6 11 1 13 6 12 1 14 6 13 1 15 7 9 1 16 7 14 1 17 7 15 1 18 7 16 1 19 8 10 ar 20 8 17 ar 21 9 10 ar 22 9 18 ar 23 11 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1 38 16 39 1 39 16 40 1 40 16 41 1 41 17 19 ar 42 17 42 1 43 18 19 ar 44 18 43 1 45 19 20 1 46 20 21 2 47 20 44 1 48 21 22 1