@MOLECULE 3-((2-aminoethyl)thio)-1-propanamine 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.5620 -0.7136 0.0244 S.3 1 UNL1111111111 -0.0575 2 N 4.6555 0.0036 0.0439 N.3 1 UNL1111111111 -0.6362 3 N -4.4106 0.6128 -0.0224 N.3 1 UNL1111111111 -0.6489 4 C 2.1491 -0.3047 0.0341 C.3 1 UNL1111111111 -0.3193 5 C 0.8442 0.4692 -0.0988 C.3 1 UNL1111111111 -0.3094 6 C 3.3469 0.6665 -0.0832 C.3 1 UNL1111111111 -0.1006 7 C -1.9903 0.4343 0.1483 C.3 1 UNL1111111111 -0.3251 8 C -3.2836 -0.3461 -0.1188 C.3 1 UNL1111111111 -0.0901 9 H 2.2308 -1.0874 -0.7460 H 1 UNL1111111111 0.1509 10 H 2.1993 -0.8375 1.0044 H 1 UNL1111111111 0.1516 11 H 0.7942 0.9965 -1.0690 H 1 UNL1111111111 0.1555 12 H 0.7586 1.2366 0.6911 H 1 UNL1111111111 0.1534 13 H 3.2829 1.4544 0.6995 H 1 UNL1111111111 0.1433 14 H 3.3217 1.1935 -1.0626 H 1 UNL1111111111 0.1438 15 H -2.0105 0.9021 1.1478 H 1 UNL1111111111 0.1544 16 H -1.8961 1.2592 -0.5838 H 1 UNL1111111111 0.1706 17 H -3.2822 -0.7682 -1.1507 H 1 UNL1111111111 0.1510 18 H -3.3907 -1.2008 0.5849 H 1 UNL1111111111 0.1194 19 H 4.8057 -0.6811 -0.6781 H 1 UNL1111111111 0.2475 20 H 4.7714 -0.4386 0.9404 H 1 UNL1111111111 0.2474 21 H -4.5501 0.9366 0.9198 H 1 UNL1111111111 0.2472 22 H -5.2699 0.2154 -0.3626 H 1 UNL1111111111 0.2510 @BOND 1 1 5 1 2 1 7 1 3 2 6 1 4 2 19 1 5 2 20 1 6 3 8 1 7 3 21 1 8 3 22 1 9 4 5 1 10 4 6 1 11 4 9 1 12 4 10 1 13 5 11 1 14 5 12 1 15 6 13 1 16 6 14 1 17 7 8 1 18 7 15 1 19 7 16 1 20 8 17 1 21 8 18 1