@MOLECULE glycyl-n-[(2s)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]glycinamide 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3625 2.3480 -1.2382 O.2 1 UNL1111111111 -0.3643 2 O 0.0341 -4.4533 0.2391 O.3 1 UNL1111111111 -0.4641 3 O 1.2268 2.1598 -0.4848 O.2 1 UNL1111111111 -0.4123 4 O 3.5810 -0.6995 -0.2813 O.2 1 UNL1111111111 -0.5185 5 N -3.9312 2.2417 -0.1035 N.3 1 UNL1111111111 -0.5135 6 N -0.5537 1.0879 0.4969 N.am 1 UNL1111111111 -0.6930 7 N 3.0978 0.9784 1.1668 N.am 1 UNL1111111111 -0.5702 8 N 6.0117 0.4561 -1.0285 N.3 1 UNL1111111111 -0.6132 9 C -2.9836 1.1398 0.1460 C.3 1 UNL1111111111 -0.0339 10 C -3.3616 -0.0857 -0.7152 C.3 1 UNL1111111111 -0.2961 11 C -2.4597 -1.2431 -0.4223 C.ar 1 UNL1111111111 -0.0906 12 C -1.5928 1.6251 -0.3162 C.2 1 UNL1111111111 0.5645 13 C -2.7407 -2.1036 0.6385 C.ar 1 UNL1111111111 -0.1020 14 C -1.3362 -1.4693 -1.2294 C.ar 1 UNL1111111111 -0.0876 15 C -3.8160 3.3147 0.9017 C.3 1 UNL1111111111 -0.2757 16 C -1.9173 -3.1975 0.8998 C.ar 1 UNL1111111111 -0.3098 17 C -0.4987 -2.5469 -0.9874 C.ar 1 UNL1111111111 -0.2297 18 C 0.8132 1.3567 0.3045 C.2 1 UNL1111111111 0.5550 19 C -0.8131 -3.4067 0.0730 C.ar 1 UNL1111111111 0.2880 20 C 1.7101 0.5416 1.2446 C.3 1 UNL1111111111 -0.1748 21 C 3.9478 0.2981 0.3009 C.2 1 UNL1111111111 0.5714 22 C 5.3896 0.7821 0.2726 C.3 1 UNL1111111111 -0.1910 23 H -2.9552 0.8431 1.2267 H 1 UNL1111111111 0.1279 24 H -3.3244 0.1966 -1.7917 H 1 UNL1111111111 0.1829 25 H -4.4205 -0.3616 -0.5361 H 1 UNL1111111111 0.1529 26 H -4.8890 1.9024 -0.1697 H 1 UNL1111111111 0.2609 27 H -3.6147 -1.9310 1.2645 H 1 UNL1111111111 0.1459 28 H -1.1144 -0.7881 -2.0554 H 1 UNL1111111111 0.1712 29 H -0.8103 0.3659 1.1657 H 1 UNL1111111111 0.3125 30 H -2.8021 3.7517 0.8566 H 1 UNL1111111111 0.1604 31 H -4.0213 3.0006 1.9354 H 1 UNL1111111111 0.1132 32 H -4.5210 4.1201 0.6326 H 1 UNL1111111111 0.1528 33 H -2.1413 -3.8728 1.7168 H 1 UNL1111111111 0.1564 34 H 0.3824 -2.7379 -1.6000 H 1 UNL1111111111 0.1881 35 H 1.6381 -0.5473 0.9743 H 1 UNL1111111111 0.2018 36 H 1.3641 0.6352 2.2992 H 1 UNL1111111111 0.1611 37 H 3.2725 1.9419 1.4097 H 1 UNL1111111111 0.3139 38 H 5.9283 0.3282 1.1356 H 1 UNL1111111111 0.1467 39 H 5.4567 1.8882 0.3942 H 1 UNL1111111111 0.1685 40 H -0.2451 -5.0515 0.9736 H 1 UNL1111111111 0.3251 41 H 6.9473 0.1064 -0.9106 H 1 UNL1111111111 0.2466 42 H 5.4712 -0.2364 -1.5334 H 1 UNL1111111111 0.2727 @BOND 1 1 12 2 2 2 19 1 3 2 40 1 4 3 18 2 5 4 21 2 6 5 9 1 7 5 15 1 8 5 26 1 9 6 12 am 10 6 18 am 11 6 29 1 12 7 20 1 13 7 21 am 14 7 37 1 15 8 22 1 16 8 41 1 17 8 42 1 18 9 10 1 19 9 12 1 20 9 23 1 21 10 11 1 22 10 24 1 23 10 25 1 24 11 13 ar 25 11 14 ar 26 13 16 ar 27 13 27 1 28 14 17 ar 29 14 28 1 30 15 30 1 31 15 31 1 32 15 32 1 33 16 19 ar 34 16 33 1 35 17 19 ar 36 17 34 1 37 18 20 1 38 20 35 1 39 20 36 1 40 21 22 1 41 22 38 1 42 22 39 1