@MOLECULE n-[(5r,6r)-2-isopropylidene-3,7-dioxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenoxyacetamide 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0314 1.4494 1.3351 S.3 1 UNL1111111111 -0.1024 2 O -2.3229 -2.0348 -1.4697 O.2 1 UNL1111111111 -0.3879 3 O -4.0312 2.6060 -0.0164 O.2 1 UNL1111111111 -0.3799 4 O 1.5460 -1.7903 1.2486 O.2 1 UNL1111111111 -0.4474 5 O 3.6683 -0.5964 0.3184 O.3 1 UNL1111111111 -0.2763 6 N -3.1609 -0.8218 0.4159 N.am 1 UNL1111111111 -0.4607 7 N 0.0820 -0.5259 0.0710 N.am 1 UNL1111111111 -0.6053 8 C -2.1213 -0.3779 1.4028 C.3 1 UNL1111111111 -0.0534 9 C -1.0413 -1.2238 0.6114 C.3 1 UNL1111111111 -0.0028 10 C -2.1940 -1.4879 -0.4286 C.2 1 UNL1111111111 0.5276 11 C -4.0088 0.2066 -0.0673 C.2 1 UNL1111111111 -0.1530 12 C -3.5534 1.5574 0.2913 C.2 1 UNL1111111111 0.4233 13 C -5.1466 -0.0559 -0.7591 C.2 1 UNL1111111111 0.2173 14 C 1.3712 -0.8777 0.4832 C.2 1 UNL1111111111 0.5791 15 C -5.5415 -1.4492 -1.0785 C.3 1 UNL1111111111 -0.4747 16 C -6.0200 1.0422 -1.2392 C.3 1 UNL1111111111 -0.4802 17 C 2.4554 -0.0051 -0.1334 C.3 1 UNL1111111111 -0.1546 18 C 4.8241 -0.0066 -0.1036 C.ar 1 UNL1111111111 0.2363 19 C 4.9218 1.1214 -0.9141 C.ar 1 UNL1111111111 -0.2988 20 C 5.9604 -0.6750 0.3811 C.ar 1 UNL1111111111 -0.2374 21 C 6.1954 1.5883 -1.2465 C.ar 1 UNL1111111111 -0.0756 22 C 7.2125 -0.1886 0.0372 C.ar 1 UNL1111111111 -0.0796 23 C 7.3339 0.9425 -0.7769 C.ar 1 UNL1111111111 -0.2207 24 H -2.3239 -0.7385 2.4271 H 1 UNL1111111111 0.1856 25 H -0.7348 -2.1475 1.1623 H 1 UNL1111111111 0.2066 26 H -0.0932 0.2644 -0.5306 H 1 UNL1111111111 0.3228 27 H -6.5716 -1.5438 -1.4428 H 1 UNL1111111111 0.1623 28 H -4.8754 -1.8797 -1.8515 H 1 UNL1111111111 0.1926 29 H -5.4366 -2.1133 -0.2008 H 1 UNL1111111111 0.1861 30 H -6.8942 0.6919 -1.8038 H 1 UNL1111111111 0.1665 31 H -6.3956 1.6590 -0.4021 H 1 UNL1111111111 0.1870 32 H -5.4712 1.7462 -1.8917 H 1 UNL1111111111 0.1874 33 H 2.4156 -0.0279 -1.2398 H 1 UNL1111111111 0.1600 34 H 2.3840 1.0372 0.2351 H 1 UNL1111111111 0.1617 35 H 4.0473 1.6392 -1.2879 H 1 UNL1111111111 0.1580 36 H 5.8405 -1.5533 1.0122 H 1 UNL1111111111 0.1778 37 H 6.2931 2.4691 -1.8804 H 1 UNL1111111111 0.1462 38 H 8.1087 -0.6902 0.4026 H 1 UNL1111111111 0.1520 39 H 8.3205 1.3140 -1.0409 H 1 UNL1111111111 0.1547 @BOND 1 1 8 1 2 1 12 1 3 2 10 2 4 3 12 2 5 4 14 2 6 5 17 1 7 5 18 1 8 6 8 1 9 6 10 am 10 6 11 1 11 7 9 1 12 7 14 am 13 7 26 1 14 8 9 1 15 8 24 1 16 9 10 1 17 9 25 1 18 11 12 1 19 11 13 2 20 13 15 1 21 13 16 1 22 14 17 1 23 15 27 1 24 15 28 1 25 15 29 1 26 16 30 1 27 16 31 1 28 16 32 1 29 17 33 1 30 17 34 1 31 18 19 ar 32 18 20 ar 33 19 21 ar 34 19 35 1 35 20 22 ar 36 20 36 1 37 21 23 ar 38 21 37 1 39 22 23 ar 40 22 38 1 41 23 39 1