@MOLECULE 1,1'-(1,4-butanediyl)bis[3-(3-isothiocyanatophenyl)(thiourea)] 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.8953 1.5976 2.0392 S.2 1 UNL1111111111 -0.5111 2 S 3.8415 -0.5309 -2.2036 S.2 1 UNL1111111111 -0.5368 3 S -6.4386 2.0526 -0.7636 S.2 1 UNL1111111111 -0.1840 4 S -3.5382 -2.5368 2.0121 S.2 1 UNL1111111111 -0.1866 5 N 0.9253 3.2910 1.2041 N.am 1 UNL1111111111 -0.5238 6 N 4.9035 0.8946 -0.2700 N.am 1 UNL1111111111 -0.5355 7 N 0.2487 1.7343 -0.4267 N.am 1 UNL1111111111 -0.5308 8 N 3.4398 -0.7888 0.4721 N.am 1 UNL1111111111 -0.5124 9 N -4.3250 0.3925 -1.3254 N.2 1 UNL1111111111 -0.4039 10 N -0.8371 -2.7082 1.5286 N.2 1 UNL1111111111 -0.4184 11 C 3.1772 3.2152 0.0707 C.3 1 UNL1111111111 -0.3034 12 C 3.6234 2.3890 1.2785 C.3 1 UNL1111111111 -0.2984 13 C 1.8624 3.9846 0.3188 C.3 1 UNL1111111111 -0.0890 14 C 4.9313 1.6212 1.0010 C.3 1 UNL1111111111 -0.0923 15 C 0.1351 2.2319 0.8583 C.2 1 UNL1111111111 0.4790 16 C 4.0590 -0.1442 -0.5682 C.2 1 UNL1111111111 0.4822 17 C -0.6942 0.7908 -0.9317 C.ar 1 UNL1111111111 0.2285 18 C 2.4982 -1.8490 0.2895 C.ar 1 UNL1111111111 0.2098 19 C -2.0595 1.0757 -0.8593 C.ar 1 UNL1111111111 -0.2353 20 C 1.2851 -1.7454 0.9782 C.ar 1 UNL1111111111 -0.2640 21 C -0.2310 -0.3730 -1.5557 C.ar 1 UNL1111111111 -0.2352 22 C 2.7945 -2.9668 -0.4999 C.ar 1 UNL1111111111 -0.1747 23 C -2.9642 0.1389 -1.3783 C.ar 1 UNL1111111111 0.2649 24 C 0.3453 -2.7737 0.8265 C.ar 1 UNL1111111111 0.2973 25 C -1.1512 -1.2849 -2.0694 C.ar 1 UNL1111111111 -0.0834 26 C 1.8341 -3.9682 -0.6413 C.ar 1 UNL1111111111 -0.0846 27 C -2.5188 -1.0506 -1.9759 C.ar 1 UNL1111111111 -0.2010 28 C 0.6079 -3.8848 0.0071 C.ar 1 UNL1111111111 -0.2281 29 C -5.1809 1.1925 -1.0344 C.1 1 UNL1111111111 0.3348 30 C -2.0269 -2.6138 1.6521 C.1 1 UNL1111111111 0.3518 31 H 3.0671 2.5634 -0.8192 H 1 UNL1111111111 0.1528 32 H 3.9675 3.9424 -0.2055 H 1 UNL1111111111 0.1534 33 H 2.8228 1.6834 1.5752 H 1 UNL1111111111 0.1554 34 H 3.7698 3.0471 2.1588 H 1 UNL1111111111 0.1565 35 H 2.0894 4.9774 0.7750 H 1 UNL1111111111 0.1509 36 H 1.3662 4.2066 -0.6577 H 1 UNL1111111111 0.1589 37 H 5.1566 0.9220 1.8384 H 1 UNL1111111111 0.1480 38 H 5.7908 2.3321 0.9685 H 1 UNL1111111111 0.1555 39 H 0.8706 3.6390 2.1613 H 1 UNL1111111111 0.3413 40 H 5.3738 1.3567 -1.0531 H 1 UNL1111111111 0.3410 41 H 1.1433 1.7783 -0.9099 H 1 UNL1111111111 0.3220 42 H 3.5098 -0.4294 1.4214 H 1 UNL1111111111 0.3177 43 H -2.4201 1.9979 -0.4046 H 1 UNL1111111111 0.1923 44 H 1.0547 -0.8875 1.6090 H 1 UNL1111111111 0.1944 45 H 0.8375 -0.5776 -1.6380 H 1 UNL1111111111 0.1832 46 H 3.7580 -3.0656 -1.0001 H 1 UNL1111111111 0.1882 47 H -0.7893 -2.1943 -2.5504 H 1 UNL1111111111 0.1608 48 H 2.0534 -4.8315 -1.2733 H 1 UNL1111111111 0.1608 49 H -3.2395 -1.7701 -2.3620 H 1 UNL1111111111 0.1783 50 H -0.1365 -4.6703 -0.1066 H 1 UNL1111111111 0.1732 @BOND 1 1 15 2 2 2 16 2 3 3 29 2 4 4 30 2 5 5 13 1 6 5 15 1 7 5 39 1 8 6 14 1 9 6 16 1 10 6 40 1 11 7 15 1 12 7 17 1 13 7 41 1 14 8 16 1 15 8 18 1 16 8 42 1 17 9 23 1 18 9 29 2 19 10 24 1 20 10 30 2 21 11 12 1 22 11 13 1 23 11 31 1 24 11 32 1 25 12 14 1 26 12 33 1 27 12 34 1 28 13 35 1 29 13 36 1 30 14 37 1 31 14 38 1 32 17 19 ar 33 17 21 ar 34 18 20 ar 35 18 22 ar 36 19 23 ar 37 19 43 1 38 20 24 ar 39 20 44 1 40 21 25 ar 41 21 45 1 42 22 26 ar 43 22 46 1 44 23 27 ar 45 24 28 ar 46 25 27 ar 47 25 47 1 48 26 28 ar 49 26 48 1 50 27 49 1 51 28 50 1