@MOLECULE 3-[(1-hydroxy-1-phenyl-2-propanyl)amino]-1-(2-thienyl)-1-propanone 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.8020 0.9643 0.0180 S.2 1 UNL11111111111111 0.3581 2 O 2.7193 -1.0587 1.7598 O.3 1 UNL11111111111111 -0.5547 3 O -2.8600 1.7665 -0.0304 O.2 1 UNL11111111111111 -0.4565 4 N 0.5575 -0.6093 0.0608 N.3 1 UNL11111111111111 -0.5636 5 C 1.8710 0.0174 -0.2293 C.3 1 UNL11111111111111 0.0300 6 C 2.9783 -0.8939 0.3803 C.3 1 UNL11111111111111 0.1042 7 C -0.5367 0.3855 0.1085 C.3 1 UNL11111111111111 -0.0794 8 C 2.0510 0.1027 -1.7502 C.3 1 UNL11111111111111 -0.4571 9 C 4.3509 -0.3263 0.1493 C.ar 1 UNL11111111111111 -0.0592 10 C -1.8690 -0.3846 0.0808 C.3 1 UNL11111111111111 -0.3889 11 C 5.2624 -1.0218 -0.6454 C.ar 1 UNL11111111111111 -0.1477 12 C 4.7176 0.8898 0.7283 C.ar 1 UNL11111111111111 -0.1655 13 C -3.0303 0.5689 0.0035 C.2 1 UNL11111111111111 0.4897 14 C 6.5359 -0.4996 -0.8623 C.ar 1 UNL11111111111111 -0.1386 15 C 5.9926 1.4079 0.5126 C.ar 1 UNL11111111111111 -0.1350 16 C -4.3710 -0.0168 -0.0280 C.ar 1 UNL11111111111111 -0.3278 17 C 6.9027 0.7142 -0.2841 C.ar 1 UNL11111111111111 -0.1489 18 C -4.7076 -1.3473 -0.1017 C.ar 1 UNL11111111111111 -0.1120 19 C -6.1171 -1.5680 -0.1179 C.ar 1 UNL11111111111111 -0.1947 20 C -6.8414 -0.4054 -0.0565 C.ar 1 UNL11111111111111 -0.2767 21 H 1.9539 1.0401 0.2168 H 1 UNL11111111111111 0.1187 22 H 2.8734 -1.9406 0.0036 H 1 UNL11111111111111 0.1636 23 H 0.6045 -1.1430 0.9319 H 1 UNL11111111111111 0.2735 24 H -0.4718 1.0500 -0.7827 H 1 UNL11111111111111 0.1529 25 H -0.4929 1.0471 1.0000 H 1 UNL11111111111111 0.1224 26 H 3.0501 0.4592 -2.0190 H 1 UNL11111111111111 0.1460 27 H 1.8951 -0.8775 -2.2188 H 1 UNL11111111111111 0.1610 28 H 1.3172 0.7836 -2.1970 H 1 UNL11111111111111 0.1544 29 H -1.8727 -1.0734 -0.7926 H 1 UNL11111111111111 0.1868 30 H -1.9605 -1.0370 0.9715 H 1 UNL11111111111111 0.1704 31 H 4.9826 -1.9730 -1.0957 H 1 UNL11111111111111 0.1554 32 H 4.0106 1.4433 1.3432 H 1 UNL11111111111111 0.1472 33 H 3.0132 -0.2873 2.2822 H 1 UNL11111111111111 0.3166 34 H 7.2461 -1.0428 -1.4830 H 1 UNL11111111111111 0.1501 35 H 6.2776 2.3562 0.9639 H 1 UNL11111111111111 0.1512 36 H 7.8978 1.1200 -0.4535 H 1 UNL11111111111111 0.1496 37 H -3.9999 -2.1633 -0.1455 H 1 UNL11111111111111 0.1640 38 H -6.5447 -2.5575 -0.1729 H 1 UNL11111111111111 0.1643 39 H -7.9142 -0.3182 -0.0530 H 1 UNL11111111111111 0.1760 @BOND 1 1 16 ar 2 1 20 ar 3 2 6 1 4 2 33 1 5 3 13 2 6 4 5 1 7 4 7 1 8 4 23 1 9 5 6 1 10 5 8 1 11 5 21 1 12 6 9 1 13 6 22 1 14 7 10 1 15 7 24 1 16 7 25 1 17 8 26 1 18 8 27 1 19 8 28 1 20 9 11 ar 21 9 12 ar 22 10 13 1 23 10 29 1 24 10 30 1 25 11 14 ar 26 11 31 1 27 12 15 ar 28 12 32 1 29 13 16 1 30 14 17 ar 31 14 34 1 32 15 17 ar 33 15 35 1 34 16 18 ar 35 17 36 1 36 18 19 ar 37 18 37 1 38 19 20 ar 39 19 38 1 40 20 39 1