@MOLECULE 1,3-bis(4-ethoxyphenyl)thiourea 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.1974 -3.1308 0.1525 S.2 1 UNL11111111 -0.5320 2 O 5.4266 1.5205 -0.4017 O.3 1 UNL11111111 -0.3405 3 O -5.5488 1.2493 -0.3261 O.3 1 UNL11111111 -0.3324 4 N 0.3132 -0.5711 -0.0230 N.am 1 UNL11111111 -0.5146 5 N -1.2929 -2.2714 0.0444 N.am 1 UNL11111111 -0.5258 6 C 1.6542 -0.0761 -0.0728 C.ar 1 UNL11111111 0.0957 7 C -2.3694 -1.3354 -0.0095 C.ar 1 UNL11111111 0.0466 8 C 4.2109 0.9563 -0.2026 C.ar 1 UNL11111111 0.2553 9 C -4.4830 0.4415 -0.1294 C.ar 1 UNL11111111 0.2575 10 C 2.5254 -0.2622 1.0028 C.ar 1 UNL11111111 -0.0663 11 C -2.6045 -0.4675 1.0598 C.ar 1 UNL11111111 -0.1085 12 C 2.0557 0.6298 -1.2184 C.ar 1 UNL11111111 -0.1197 13 C -3.1998 -1.3249 -1.1425 C.ar 1 UNL11111111 -0.1063 14 C 3.8165 0.2571 0.9386 C.ar 1 UNL11111111 -0.2897 15 C -3.6629 0.4349 1.0004 C.ar 1 UNL11111111 -0.2926 16 C 3.3340 1.1562 -1.2846 C.ar 1 UNL11111111 -0.2338 17 C -4.2596 -0.4384 -1.2062 C.ar 1 UNL11111111 -0.2343 18 C 0.0340 -1.9102 0.0495 C.2 1 UNL11111111 0.4977 19 C 6.4354 1.2832 0.5886 C.3 1 UNL11111111 -0.0204 20 C -5.8747 2.1872 0.7096 C.3 1 UNL11111111 -0.0227 21 C 7.6623 1.9721 0.0087 C.3 1 UNL11111111 -0.4608 22 C -7.1061 2.8922 0.1616 C.3 1 UNL11111111 -0.4590 23 H 2.2039 -0.8165 1.8867 H 1 UNL11111111 0.1748 24 H -1.9631 -0.5005 1.9428 H 1 UNL11111111 0.1715 25 H 1.3686 0.7499 -2.0553 H 1 UNL11111111 0.1613 26 H -3.0051 -2.0130 -1.9671 H 1 UNL11111111 0.1717 27 H -0.4186 0.1088 -0.2126 H 1 UNL11111111 0.3190 28 H -1.5389 -3.2612 0.0702 H 1 UNL11111111 0.3508 29 H 4.4938 0.1020 1.7714 H 1 UNL11111111 0.1650 30 H -3.8385 1.1096 1.8321 H 1 UNL11111111 0.1669 31 H 3.6767 1.7072 -2.1571 H 1 UNL11111111 0.1738 32 H -4.9241 -0.4057 -2.0678 H 1 UNL11111111 0.1781 33 H 6.5822 0.1945 0.7047 H 1 UNL11111111 0.1321 34 H 6.1148 1.7322 1.5443 H 1 UNL11111111 0.1243 35 H -6.0861 1.6377 1.6435 H 1 UNL11111111 0.1287 36 H -5.0242 2.8763 0.8527 H 1 UNL11111111 0.1282 37 H 7.9158 1.5651 -0.9800 H 1 UNL11111111 0.1637 38 H 7.4893 3.0481 -0.1263 H 1 UNL11111111 0.1595 39 H 8.5333 1.8465 0.6606 H 1 UNL11111111 0.1537 40 H -7.9173 2.1787 -0.0398 H 1 UNL11111111 0.1639 41 H -6.8870 3.4000 -0.7877 H 1 UNL11111111 0.1629 42 H -7.4820 3.6410 0.8676 H 1 UNL11111111 0.1566 @BOND 1 1 18 2 2 2 8 1 3 2 19 1 4 3 9 1 5 3 20 1 6 4 6 1 7 4 18 1 8 4 27 1 9 5 7 1 10 5 18 1 11 5 28 1 12 6 10 ar 13 6 12 ar 14 7 11 ar 15 7 13 ar 16 8 14 ar 17 8 16 ar 18 9 15 ar 19 9 17 ar 20 10 14 ar 21 10 23 1 22 11 15 ar 23 11 24 1 24 12 16 ar 25 12 25 1 26 13 17 ar 27 13 26 1 28 14 29 1 29 15 30 1 30 16 31 1 31 17 32 1 32 19 21 1 33 19 33 1 34 19 34 1 35 20 22 1 36 20 35 1 37 20 36 1 38 21 37 1 39 21 38 1 40 21 39 1 41 22 40 1 42 22 41 1 43 22 42 1