@MOLECULE 2,3-dihydroxy-n-[(2r,3s)-2-(4-nitrobenzyl)-4-oxo-3-oxetanyl]benzamide 40 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6594 1.7996 0.3438 C.3 1 UNL11 -0.0535 2 C 0.8416 1.3317 0.5266 C.3 1 UNL11 0.0823 3 C -3.2940 -1.4477 -0.8578 C.ar 1 UNL11 -0.1218 4 C 3.3313 -0.5790 1.3282 C.ar 1 UNL11 -0.1999 5 C 3.3655 -0.2090 -1.0680 C.ar 1 UNL11 -0.1811 6 C -5.5568 -2.3093 -0.9735 C.ar 1 UNL11 -0.1594 7 C -4.2025 -2.3758 -1.3339 C.ar 1 UNL11 -0.1603 8 C 4.7051 -0.7919 1.3220 C.ar 1 UNL11 -0.0738 9 C 4.7383 -0.4282 -1.0887 C.ar 1 UNL11 -0.0713 10 C 1.1753 -0.0929 0.1391 C.3 1 UNL11 -0.3302 11 H -4.8201 1.1107 1.6535 H 1 UNL11 0.3913 12 H -7.4798 -0.5352 0.8539 H 1 UNL11 0.3462 13 H -1.3818 0.3565 -1.0079 H 1 UNL11 0.3202 14 C -3.7076 -0.4114 -0.0002 C.ar 1 UNL11 -0.2650 15 C 2.6594 -0.2971 0.1351 C.ar 1 UNL11 0.0708 16 C -5.0460 -0.3631 0.3935 C.ar 1 UNL11 0.2428 17 C -5.9756 -1.3096 -0.1124 C.ar 1 UNL11 0.1806 18 C 5.3950 -0.7271 0.1083 C.ar 1 UNL11 -0.0922 19 O -0.3992 3.5186 -1.5531 O.2 1 UNL11 -0.3632 20 O -3.0473 1.2927 1.5127 O.2 1 UNL11 -0.5700 21 O 7.3813 -1.0647 -0.9959 O.2 1 UNL11 -0.3957 22 O -5.5604 0.5429 1.2434 O.3 1 UNL11 -0.4878 23 O -7.2877 -1.2837 0.2232 O.3 1 UNL11 -0.4377 24 C -2.7905 0.6158 0.5237 C.2 1 UNL11 0.6260 25 C -0.0510 2.7179 -0.7580 C.2 1 UNL11 0.5379 26 O 1.2465 2.2657 -0.5254 O.3 1 UNL11 -0.4053 27 N -1.5893 0.8213 -0.1362 N.am 1 UNL11 -0.5640 28 O 7.4065 -1.1006 1.1557 O.2 1 UNL11 -0.3984 29 N 6.8277 -0.9791 0.0882 N.pl3 1 UNL11 0.6244 30 H -1.0587 2.3646 1.2213 H 1 UNL11 0.2108 31 H 1.3116 1.6568 1.4691 H 1 UNL11 0.1589 32 H 0.6807 -0.7967 0.8469 H 1 UNL11 0.1764 33 H 0.7535 -0.3395 -0.8586 H 1 UNL11 0.1627 34 H -2.2474 -1.5364 -1.1408 H 1 UNL11 0.1466 35 H 2.7800 -0.6349 2.2661 H 1 UNL11 0.1650 36 H 2.8433 0.0437 -1.9913 H 1 UNL11 0.1711 37 H -6.2753 -3.0343 -1.3559 H 1 UNL11 0.1800 38 H -3.8708 -3.1747 -1.9971 H 1 UNL11 0.1619 39 H 5.2421 -1.0100 2.2513 H 1 UNL11 0.1862 40 H 5.2995 -0.3683 -2.0274 H 1 UNL11 0.1885 @BOND 1 40 9 1 2 38 7 1 3 36 5 1 4 19 25 2 5 37 6 1 6 7 6 ar 7 7 3 ar 8 34 3 1 9 9 5 ar 10 9 18 ar 11 5 15 ar 12 13 27 1 13 21 29 2 14 6 17 ar 15 33 10 1 16 3 14 ar 17 25 26 1 18 25 1 1 19 26 2 1 20 27 1 1 21 27 24 am 22 17 23 1 23 17 16 ar 24 14 16 ar 25 14 24 1 26 29 18 1 27 29 28 2 28 18 8 ar 29 15 10 1 30 15 4 ar 31 10 2 1 32 10 32 1 33 23 12 1 34 1 2 1 35 1 30 1 36 16 22 1 37 24 20 2 38 2 31 1 39 22 11 1 40 8 4 ar 41 8 39 1 42 4 35 1