@MOLECULE 3-[(2-{[n-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.4736 -2.4252 0.0249 S.3 1 UNL111111111 -0.0236 2 O 2.9922 2.6605 -1.7071 O.2 1 UNL111111111 -0.3657 3 O 2.0358 3.7067 1.0782 O.3 1 UNL111111111 -0.5467 4 O 3.6301 -2.0995 -2.8324 O.3 1 UNL111111111 -0.5534 5 O 4.8029 -2.1405 -0.9336 O.2 1 UNL111111111 -0.4794 6 O -4.7382 2.7172 -1.2740 O.3 1 UNL111111111 -0.5264 7 O -2.5805 -1.9807 1.7021 O.2 1 UNL111111111 -0.5951 8 O -2.5705 1.1197 1.7537 O.3 1 UNL111111111 -0.5678 9 O -4.6692 0.1133 -1.9408 O.2 1 UNL111111111 -0.5625 10 N 3.9343 0.6331 -0.8746 N.am 1 UNL111111111 -0.5089 11 N -1.4351 -3.5774 0.6133 N.am 1 UNL111111111 -0.5940 12 N -4.4968 -0.5057 0.2323 N.am 1 UNL111111111 -0.5780 13 C 4.1297 0.6096 0.6383 C.3 1 UNL111111111 0.0442 14 C 3.6748 2.1105 0.6928 C.3 1 UNL111111111 -0.2800 15 C 3.1886 -0.4737 1.1808 C.3 1 UNL111111111 -0.3247 16 C 3.0334 -0.4606 -1.2538 C.3 1 UNL111111111 -0.0003 17 C 2.1989 -0.7434 0.0299 C.3 1 UNL111111111 -0.1925 18 C 3.4038 1.9927 -0.8228 C.2 1 UNL111111111 0.5670 19 C 2.4514 2.4358 1.5432 C.3 1 UNL111111111 0.1867 20 C 3.9348 -1.6415 -1.5948 C.2 1 UNL111111111 0.6319 21 C 2.8014 2.4992 3.0275 C.3 1 UNL111111111 -0.5090 22 C 0.5146 -2.3714 1.5914 C.3 1 UNL111111111 -0.3514 23 C -0.4211 -3.5842 1.6695 C.3 1 UNL111111111 -0.0500 24 C -2.5643 2.1390 -0.3962 C.3 1 UNL111111111 0.0498 25 C -2.4813 -2.6809 0.7078 C.2 1 UNL111111111 0.6101 26 C -4.0861 1.8502 -0.3834 C.3 1 UNL111111111 0.0547 27 C -1.8219 1.1681 0.5468 C.3 1 UNL111111111 -0.0314 28 C -3.4511 -2.6756 -0.4427 C.3 1 UNL111111111 -0.4092 29 C -2.3818 3.5805 0.0865 C.3 1 UNL111111111 -0.4509 30 C -1.9929 1.9705 -1.8061 C.3 1 UNL111111111 -0.4702 31 C -4.4200 0.4133 -0.7886 C.2 1 UNL111111111 0.5297 32 C -4.7417 -1.9100 -0.0796 C.3 1 UNL111111111 -0.0319 33 H 5.1865 0.4453 0.9105 H 1 UNL111111111 0.1678 34 H 4.4983 2.8216 0.9113 H 1 UNL111111111 0.1883 35 H 3.7853 -1.3834 1.4164 H 1 UNL111111111 0.1836 36 H 2.6913 -0.1816 2.1157 H 1 UNL111111111 0.1541 37 H 2.4007 -0.1733 -2.1347 H 1 UNL111111111 0.1987 38 H 1.3529 -0.0165 0.0701 H 1 UNL111111111 0.1599 39 H 1.6131 1.7253 1.3543 H 1 UNL111111111 0.1116 40 H 1.9080 2.5974 3.6536 H 1 UNL111111111 0.1565 41 H 3.3458 1.6075 3.3618 H 1 UNL111111111 0.1577 42 H 3.4424 3.3652 3.2439 H 1 UNL111111111 0.1700 43 H 1.2987 4.0521 1.6209 H 1 UNL111111111 0.3214 44 H -0.0766 -1.4372 1.6558 H 1 UNL111111111 0.1718 45 H 1.2059 -2.3709 2.4534 H 1 UNL111111111 0.1617 46 H 4.2123 -2.8370 -3.1412 H 1 UNL111111111 0.3579 47 H 0.1436 -4.5420 1.6279 H 1 UNL111111111 0.1496 48 H -0.9425 -3.5700 2.6644 H 1 UNL111111111 0.1680 49 H -1.2247 -4.0693 -0.2391 H 1 UNL111111111 0.3181 50 H -4.5319 2.1137 0.6069 H 1 UNL111111111 0.1779 51 H -1.7478 0.1534 0.1166 H 1 UNL111111111 0.1135 52 H -0.8098 1.5353 0.7879 H 1 UNL111111111 0.1163 53 H -2.6350 3.6761 1.1528 H 1 UNL111111111 0.1557 54 H -3.0428 4.2658 -0.4686 H 1 UNL111111111 0.1662 55 H -1.3563 3.9314 -0.0505 H 1 UNL111111111 0.1448 56 H -2.1835 0.9774 -2.2151 H 1 UNL111111111 0.1540 57 H -0.9112 2.1495 -1.8260 H 1 UNL111111111 0.1564 58 H -2.4424 2.6939 -2.5050 H 1 UNL111111111 0.1611 59 H -2.9834 -2.2091 -1.3386 H 1 UNL111111111 0.1914 60 H -3.7167 -3.7110 -0.7397 H 1 UNL111111111 0.1733 61 H -5.2284 -2.3855 0.8024 H 1 UNL111111111 0.1495 62 H -5.4560 -1.9757 -0.9380 H 1 UNL111111111 0.1699 63 H -4.0927 -0.3030 1.1436 H 1 UNL111111111 0.3389 64 H -4.6260 2.4044 -2.2007 H 1 UNL111111111 0.3329 65 H -2.3198 0.3221 2.2671 H 1 UNL111111111 0.3302 @BOND 1 1 17 1 2 1 22 1 3 2 18 2 4 3 19 1 5 3 43 1 6 4 20 1 7 4 46 1 8 5 20 2 9 6 26 1 10 6 64 1 11 7 25 2 12 8 27 1 13 8 65 1 14 9 31 2 15 10 13 1 16 10 16 1 17 10 18 am 18 11 23 1 19 11 25 am 20 11 49 1 21 12 31 am 22 12 32 1 23 12 63 1 24 13 14 1 25 13 15 1 26 13 33 1 27 14 18 1 28 14 19 1 29 14 34 1 30 15 17 1 31 15 35 1 32 15 36 1 33 16 17 1 34 16 20 1 35 16 37 1 36 17 38 1 37 19 21 1 38 19 39 1 39 21 40 1 40 21 41 1 41 21 42 1 42 22 23 1 43 22 44 1 44 22 45 1 45 23 47 1 46 23 48 1 47 24 26 1 48 24 27 1 49 24 29 1 50 24 30 1 51 25 28 1 52 26 31 1 53 26 50 1 54 27 51 1 55 27 52 1 56 28 32 1 57 28 59 1 58 28 60 1 59 29 53 1 60 29 54 1 61 29 55 1 62 30 56 1 63 30 57 1 64 30 58 1 65 32 61 1 66 32 62 1