@MOLECULE (2s)-1-{(2r)-2-[(8s,11s)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-n-(2-methyl-2-propanyl)-2-piperidinecarboxamide 82 84 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.3649 1.3541 -0.9809 C.3 1 UNL1111111111 -0.3042 2 C -3.0101 1.4806 -0.0806 C.2 1 UNL1111111111 0.6002 3 O -2.5359 0.9160 -1.0472 O.2 1 UNL1111111111 -0.5574 4 C -4.4129 2.0371 0.0036 C.3 1 UNL1111111111 -0.3494 5 N -2.2298 1.6805 1.0474 N.am 1 UNL1111111111 -0.6122 6 C -0.7970 1.4024 0.9866 C.3 1 UNL1111111111 0.0314 7 C -0.5308 -0.0772 1.3499 C.2 1 UNL1111111111 0.5512 8 O -0.1781 -0.4065 2.4681 O.2 1 UNL1111111111 -0.5722 9 C -0.0228 2.2578 2.0039 C.3 1 UNL1111111111 -0.3936 10 C -0.3571 3.7187 1.8395 C.2 1 UNL1111111111 0.6062 11 O -1.4154 4.1977 2.2001 O.2 1 UNL1111111111 -0.5564 12 N 0.6057 4.5222 1.2645 N.am 1 UNL1111111111 -0.6900 13 N -0.5834 -0.9631 0.3092 N.am 1 UNL1111111111 -0.5636 14 C -0.2874 -2.3759 0.5655 C.3 1 UNL1111111111 0.0399 15 C -1.1237 -3.2986 -0.3519 C.3 1 UNL1111111111 -0.3064 16 C -2.5201 -2.7875 -0.5064 C.ar 1 UNL1111111111 -0.0330 17 C -3.3373 -2.6184 0.6145 C.ar 1 UNL1111111111 -0.1287 18 C -4.5746 -1.9960 0.4916 C.ar 1 UNL1111111111 -0.2370 19 C -2.9781 -2.4134 -1.7729 C.ar 1 UNL1111111111 -0.1298 20 C -4.2182 -1.8021 -1.9176 C.ar 1 UNL1111111111 -0.2020 21 C -4.9796 -1.5660 -0.7723 C.ar 1 UNL1111111111 0.2173 22 O -6.1901 -0.9414 -0.9580 O.3 1 UNL1111111111 -0.3795 23 C -6.2862 0.3262 -0.3146 C.3 1 UNL1111111111 -0.0254 24 C 1.2268 -2.6910 0.3300 C.3 1 UNL1111111111 0.1342 25 O 1.4498 -3.9742 0.8756 O.3 1 UNL1111111111 -0.5639 26 C 2.1740 -1.6552 0.9683 C.3 1 UNL1111111111 -0.1717 27 N 3.4912 -1.7944 0.3000 N.3 1 UNL1111111111 -0.4065 28 C 4.1691 -0.4872 0.1478 C.3 1 UNL1111111111 -0.0435 29 C 5.5189 -0.6682 -0.5846 C.3 1 UNL1111111111 -0.2839 30 C 6.4119 -1.6534 0.1721 C.3 1 UNL1111111111 -0.2592 31 C 5.6694 -2.9861 0.2982 C.3 1 UNL1111111111 -0.2767 32 C 4.3335 -2.7744 1.0276 C.3 1 UNL1111111111 -0.1092 33 C 3.3254 0.4095 -0.7806 C.2 1 UNL1111111111 0.5617 34 O 2.5411 0.0057 -1.6040 O.2 1 UNL1111111111 -0.4815 35 C 3.0743 2.7669 -1.5977 C.3 1 UNL1111111111 0.3416 36 C 3.5354 4.1598 -1.1138 C.3 1 UNL1111111111 -0.4958 37 C 1.5431 2.7203 -1.6971 C.3 1 UNL1111111111 -0.4797 38 C 3.6973 2.4762 -2.9751 C.3 1 UNL1111111111 -0.5038 39 N 3.5496 1.7757 -0.6007 N.am 1 UNL1111111111 -0.6716 40 H -4.7820 0.8534 -1.7913 H 1 UNL1111111111 0.1933 41 H -5.9686 2.1144 -1.5106 H 1 UNL1111111111 0.1473 42 H -4.3559 3.1267 -0.2213 H 1 UNL1111111111 0.1743 43 H -4.8062 1.9771 1.0386 H 1 UNL1111111111 0.1671 44 H -2.5435 2.2447 1.8307 H 1 UNL1111111111 0.3391 45 H -0.4169 1.5970 -0.0596 H 1 UNL1111111111 0.1793 46 H -0.2894 1.9402 3.0448 H 1 UNL1111111111 0.2132 47 H 1.0620 2.0453 1.9265 H 1 UNL1111111111 0.1806 48 H 0.4296 5.4959 1.1224 H 1 UNL1111111111 0.3104 49 H 1.4559 4.1508 0.8945 H 1 UNL1111111111 0.3089 50 H -1.0164 -0.7062 -0.5762 H 1 UNL1111111111 0.3496 51 H -0.5300 -2.6047 1.6411 H 1 UNL1111111111 0.1593 52 H -0.6270 -3.4027 -1.3399 H 1 UNL1111111111 0.1633 53 H -1.1165 -4.3255 0.0726 H 1 UNL1111111111 0.1699 54 H -2.9939 -2.9499 1.5933 H 1 UNL1111111111 0.1553 55 H -5.2105 -1.8407 1.3572 H 1 UNL1111111111 0.1619 56 H -2.3537 -2.5745 -2.6510 H 1 UNL1111111111 0.1570 57 H -4.5847 -1.4857 -2.8903 H 1 UNL1111111111 0.1671 58 H -7.3565 0.5591 -0.4727 H 1 UNL1111111111 0.1409 59 H -6.0972 0.2129 0.7658 H 1 UNL1111111111 0.1256 60 H 1.4723 -2.8294 -0.7497 H 1 UNL1111111111 0.1792 61 H 1.3621 -3.9668 1.8479 H 1 UNL1111111111 0.3099 62 H 2.2134 -1.7851 2.0694 H 1 UNL1111111111 0.1329 63 H 1.7750 -0.6324 0.7986 H 1 UNL1111111111 0.1601 64 H 4.3358 0.0131 1.1343 H 1 UNL1111111111 0.1253 65 H 5.3259 -1.0553 -1.6086 H 1 UNL1111111111 0.1680 66 H 6.0236 0.3047 -0.7058 H 1 UNL1111111111 0.1284 67 H 7.3692 -1.7925 -0.3628 H 1 UNL1111111111 0.1366 68 H 6.6737 -1.2580 1.1701 H 1 UNL1111111111 0.1333 69 H 5.4754 -3.4091 -0.7083 H 1 UNL1111111111 0.1569 70 H 6.2798 -3.7307 0.8370 H 1 UNL1111111111 0.1327 71 H 3.7647 -3.7367 1.0408 H 1 UNL1111111111 0.1638 72 H 4.5187 -2.4800 2.0822 H 1 UNL1111111111 0.1069 73 H 3.1184 4.9456 -1.7539 H 1 UNL1111111111 0.1587 74 H 3.2231 4.3657 -0.0870 H 1 UNL1111111111 0.1406 75 H 4.6253 4.2618 -1.1568 H 1 UNL1111111111 0.1498 76 H 1.0664 2.8030 -0.7183 H 1 UNL1111111111 0.1421 77 H 1.1604 3.5206 -2.3367 H 1 UNL1111111111 0.1474 78 H 1.2059 1.7664 -2.1389 H 1 UNL1111111111 0.1918 79 H 4.7896 2.4657 -2.9380 H 1 UNL1111111111 0.1454 80 H 3.3703 1.4941 -3.3506 H 1 UNL1111111111 0.1806 81 H 3.3926 3.2228 -3.7140 H 1 UNL1111111111 0.1515 82 H 4.3020 2.0810 -0.0043 H 1 UNL1111111111 0.2990 @BOND 1 1 4 1 2 1 23 1 3 1 40 1 4 1 41 1 5 2 3 2 6 2 4 1 7 2 5 am 8 4 42 1 9 4 43 1 10 5 6 1 11 5 44 1 12 6 7 1 13 6 9 1 14 6 45 1 15 7 8 2 16 7 13 am 17 9 10 1 18 9 46 1 19 9 47 1 20 10 11 2 21 10 12 am 22 12 48 1 23 12 49 1 24 13 14 1 25 13 50 1 26 14 15 1 27 14 24 1 28 14 51 1 29 15 16 1 30 15 52 1 31 15 53 1 32 16 17 ar 33 16 19 ar 34 17 18 ar 35 17 54 1 36 18 21 ar 37 18 55 1 38 19 20 ar 39 19 56 1 40 20 21 ar 41 20 57 1 42 21 22 1 43 22 23 1 44 23 58 1 45 23 59 1 46 24 25 1 47 24 26 1 48 24 60 1 49 25 61 1 50 26 27 1 51 26 62 1 52 26 63 1 53 27 28 1 54 27 32 1 55 28 29 1 56 28 33 1 57 28 64 1 58 29 30 1 59 29 65 1 60 29 66 1 61 30 31 1 62 30 67 1 63 30 68 1 64 31 32 1 65 31 69 1 66 31 70 1 67 32 71 1 68 32 72 1 69 33 34 2 70 33 39 am 71 35 36 1 72 35 37 1 73 35 38 1 74 35 39 1 75 36 73 1 76 36 74 1 77 36 75 1 78 37 76 1 79 37 77 1 80 37 78 1 81 38 79 1 82 38 80 1 83 38 81 1 84 39 82 1