@MOLECULE {3-[(2r,6s)-2,6-dimethyl-1-piperidinyl]-1,2,3-oxadiazol-3-ium-5(4h)-ylidene}azanide 30 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.6522 -1.3838 -1.1150 O.2 1 UNL1 -0.2950 2 N -0.4655 -0.2879 -0.3525 N.3 1 UNL1 -0.2372 3 N 0.8914 -0.6120 -0.1637 N.pl3 1 UNL1 -0.2414 4 N 1.4929 -1.1192 -1.2394 N.2 1 UNL1 0.2742 5 N 2.5145 2.0589 1.3212 N.1 1 UNL1 -0.2247 6 C -1.3224 -0.9840 0.6714 C.3 1 UNL1 0.0484 7 C -0.6678 1.2059 -0.3410 C.3 1 UNL1 0.0449 8 C -2.7966 -0.7022 0.3152 C.3 1 UNL1 -0.2829 9 C -2.1494 1.4828 -0.6710 C.3 1 UNL1 -0.2841 10 C -3.0728 0.8012 0.3382 C.3 1 UNL1 -0.2747 11 C -1.0722 -2.4962 0.6151 C.3 1 UNL1 -0.4620 12 C 0.2045 1.8540 -1.4230 C.3 1 UNL1 -0.4656 13 C 1.5938 -0.3713 1.1263 C.3 1 UNL1 -0.1543 14 C 2.1018 0.9832 1.2267 C.1 1 UNL1 0.0867 15 H -1.1179 -0.6013 1.7033 H 1 UNL1 0.1142 16 H -0.4197 1.6391 0.6599 H 1 UNL1 0.1219 17 H -3.4558 -1.2342 1.0245 H 1 UNL1 0.1414 18 H -3.0234 -1.1157 -0.6883 H 1 UNL1 0.1607 19 H -2.3741 1.1209 -1.6951 H 1 UNL1 0.1606 20 H -2.3226 2.5746 -0.6845 H 1 UNL1 0.1457 21 H -4.1314 1.0028 0.0888 H 1 UNL1 0.1422 22 H -2.9201 1.2141 1.3523 H 1 UNL1 0.1384 23 H -0.0774 -2.7690 0.9817 H 1 UNL1 0.1509 24 H -1.8079 -3.0427 1.2134 H 1 UNL1 0.1494 25 H -1.1389 -2.8640 -0.4199 H 1 UNL1 0.1727 26 H 1.2692 1.8433 -1.1616 H 1 UNL1 0.1594 27 H 0.1056 1.3225 -2.3804 H 1 UNL1 0.1713 28 H -0.0758 2.9004 -1.5847 H 1 UNL1 0.1544 29 H 2.4444 -1.1085 1.2046 H 1 UNL1 0.2057 30 H 0.9109 -0.6021 1.9823 H 1 UNL1 0.1787 @BOND 1 27 12 1 2 19 9 1 3 28 12 1 4 12 26 1 5 12 7 1 6 4 1 2 7 4 3 1 8 18 8 1 9 20 9 1 10 9 7 1 11 9 10 1 12 25 11 1 13 2 7 1 14 2 3 1 15 2 6 1 16 7 16 1 17 3 13 1 18 21 10 1 19 8 10 1 20 8 6 1 21 8 17 1 22 10 22 1 23 11 6 1 24 11 23 1 25 11 24 1 26 6 15 1 27 13 29 1 28 13 14 1 29 13 30 1 30 14 5 3