@MOLECULE 1-[(6s,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydro-5h-thieno[3,2-b]pyran-7-yl]-2-piperidinone 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.9904 0.4959 0.4865 C.3 1 UNL1 0.0530 2 C -1.2825 1.8342 -0.2647 C.3 1 UNL1 0.0538 3 C 2.6982 0.6442 -0.2094 C.ar 1 UNL1 -0.1389 4 C -0.3743 4.1561 -0.7408 C.3 1 UNL1 -0.4723 5 C -0.1496 3.1872 1.5853 C.3 1 UNL1 -0.4996 6 H -0.3822 1.4772 -1.9896 H 1 UNL1 0.3273 7 C 2.7530 -0.7055 0.0592 C.ar 1 UNL1 -0.2451 8 O -3.0149 -0.3525 2.0179 O.2 1 UNL1 -0.5658 9 O 3.8529 -2.6950 0.2389 O.2 1 UNL1 -0.4063 10 C -1.9410 -0.9572 -1.3344 C.3 1 UNL1 -0.0541 11 C -3.8111 -2.1035 0.6206 C.3 1 UNL1 -0.3468 12 C -2.5115 -2.3735 -1.4971 C.3 1 UNL1 -0.2931 13 C -3.9060 -2.4183 -0.8707 C.3 1 UNL1 -0.2588 14 O -1.2936 1.6360 -1.6542 O.3 1 UNL1 -0.5401 15 C -2.9127 -0.9364 0.9538 C.2 1 UNL1 0.5983 16 C 0.4432 0.1643 0.2834 C.ar 1 UNL1 -0.3316 17 C 1.3647 1.1294 -0.0709 C.ar 1 UNL1 0.1632 18 O 1.0996 2.4234 -0.3308 O.3 1 UNL1 -0.3288 19 O 4.9826 -0.9488 -0.3186 O.2 1 UNL1 -0.3924 20 C -0.2063 2.8927 0.0938 C.3 1 UNL1 0.2457 21 N 3.9390 -1.5013 -0.0088 N.pl3 1 UNL1 0.6584 22 N -1.8710 -0.6054 0.0935 N.am 1 UNL1 -0.5054 23 S 1.1945 -1.3665 0.4919 S.2 1 UNL1 0.4536 24 H -1.1669 0.6915 1.5981 H 1 UNL1 0.2039 25 H -2.3117 2.1959 -0.0497 H 1 UNL1 0.1680 26 H 3.5374 1.2702 -0.4896 H 1 UNL1 0.2022 27 H -0.9254 -0.8910 -1.7816 H 1 UNL1 0.1451 28 H -2.5766 -0.2190 -1.8810 H 1 UNL1 0.1519 29 H -0.6053 3.9257 -1.7913 H 1 UNL1 0.1731 30 H -1.1864 4.7837 -0.3563 H 1 UNL1 0.1645 31 H 0.5471 4.7564 -0.7387 H 1 UNL1 0.1691 32 H 0.5319 4.0232 1.7976 H 1 UNL1 0.1721 33 H -1.1349 3.4543 1.9866 H 1 UNL1 0.1674 34 H 0.2252 2.3322 2.1636 H 1 UNL1 0.1669 35 H -4.8188 -1.9058 1.0458 H 1 UNL1 0.1745 36 H -3.4287 -2.9867 1.1802 H 1 UNL1 0.1753 37 H -2.5498 -2.6423 -2.5681 H 1 UNL1 0.1461 38 H -1.8451 -3.1165 -1.0179 H 1 UNL1 0.1563 39 H -4.3716 -3.4104 -1.0232 H 1 UNL1 0.1438 40 H -4.5748 -1.6936 -1.3756 H 1 UNL1 0.1457 @BOND 1 37 12 1 2 6 14 1 3 28 10 1 4 29 4 1 5 27 10 1 6 14 2 1 7 12 10 1 8 12 38 1 9 12 13 1 10 40 13 1 11 10 22 1 12 39 13 1 13 13 11 1 14 4 31 1 15 4 30 1 16 4 20 1 17 26 3 1 18 18 17 1 19 18 20 1 20 19 21 2 21 2 25 1 22 2 20 1 23 2 1 1 24 3 17 ar 25 3 7 ar 26 17 16 ar 27 21 7 1 28 21 9 2 29 7 23 ar 30 22 1 1 31 22 15 am 32 20 5 1 33 16 1 1 34 16 23 ar 35 1 24 1 36 11 15 1 37 11 35 1 38 11 36 1 39 15 8 2 40 5 32 1 41 5 33 1 42 5 34 1