@MOLECULE 7-{[(2e,5e)-3,7-dimethyl-2,5-octadien-1-yl]oxy}-2h-chromen-2-one 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3539 -0.9607 0.1093 O.3 1 UNL1 -0.3201 2 O 4.5536 1.2832 -0.0391 O.2 1 UNL1 -0.3688 3 O 6.4679 2.3399 -0.0833 O.2 1 UNL1 -0.4157 4 C -7.2636 -0.2625 -0.7640 C.3 1 UNL1 -0.0700 5 C -4.0775 0.0988 1.4329 C.3 1 UNL1 -0.2996 6 C -2.8029 0.5667 0.7882 C.2 1 UNL1 0.0665 7 C -6.2800 0.1838 0.2778 C.2 1 UNL1 -0.1749 8 C -5.0533 -0.3328 0.3827 C.2 1 UNL1 -0.1608 9 C -7.5392 0.8987 -1.7292 C.3 1 UNL1 -0.4472 10 C -8.5609 -0.7183 -0.0815 C.3 1 UNL1 -0.4480 11 C -1.6932 -0.1784 0.8372 C.2 1 UNL1 -0.2650 12 C -0.3904 0.2587 0.2590 C.3 1 UNL1 -0.0316 13 C -2.8623 1.8961 0.1149 C.3 1 UNL1 -0.4606 14 C 1.6909 -0.8818 0.0005 C.ar 1 UNL1 0.3457 15 C 4.4573 -1.1150 -0.2066 C.ar 1 UNL1 -0.2837 16 C 3.8401 0.1399 -0.0760 C.ar 1 UNL1 0.3707 17 C 2.4491 0.2834 0.0210 C.ar 1 UNL1 -0.4193 18 C 2.2811 -2.1658 -0.1357 C.ar 1 UNL1 -0.3122 19 C 3.6478 -2.2671 -0.2384 C.ar 1 UNL1 0.0008 20 C 5.8856 -1.1749 -0.3038 C.ar 1 UNL1 0.0360 21 C 6.6050 -0.0365 -0.2656 C.ar 1 UNL1 -0.3755 22 C 5.9602 1.2535 -0.1296 C.ar 1 UNL1 0.6012 23 H -6.8494 -1.1211 -1.3493 H 1 UNL1 0.1365 24 H -4.4969 0.9031 2.0752 H 1 UNL1 0.1558 25 H -3.8919 -0.7498 2.1289 H 1 UNL1 0.1588 26 H -6.6435 0.9631 0.9433 H 1 UNL1 0.1445 27 H -4.6845 -1.1067 -0.2881 H 1 UNL1 0.1504 28 H -7.9669 1.7624 -1.2092 H 1 UNL1 0.1450 29 H -6.6167 1.2308 -2.2183 H 1 UNL1 0.1452 30 H -8.2440 0.6022 -2.5132 H 1 UNL1 0.1449 31 H -9.0430 0.1029 0.4592 H 1 UNL1 0.1450 32 H -8.3665 -1.5199 0.6398 H 1 UNL1 0.1459 33 H -9.2803 -1.0979 -0.8146 H 1 UNL1 0.1441 34 H -1.6662 -1.1573 1.3157 H 1 UNL1 0.1727 35 H 0.1335 0.9585 0.9422 H 1 UNL1 0.1442 36 H -0.4778 0.7092 -0.7477 H 1 UNL1 0.1426 37 H -2.5684 1.8252 -0.9408 H 1 UNL1 0.1604 38 H -3.8730 2.3289 0.1287 H 1 UNL1 0.1606 39 H -2.1938 2.6243 0.5984 H 1 UNL1 0.1591 40 H 2.0185 1.2745 0.1069 H 1 UNL1 0.1934 41 H 1.6352 -3.0402 -0.1535 H 1 UNL1 0.1805 42 H 4.1213 -3.2453 -0.3439 H 1 UNL1 0.1535 43 H 6.3592 -2.1545 -0.4074 H 1 UNL1 0.1567 44 H 7.6903 -0.0084 -0.3354 H 1 UNL1 0.1921 @BOND 1 30 9 1 2 29 9 1 3 9 28 1 4 9 4 1 5 23 4 1 6 37 13 1 7 33 10 1 8 4 10 1 9 4 7 1 10 36 12 1 11 43 20 1 12 42 19 1 13 44 21 1 14 20 21 ar 15 20 15 ar 16 27 8 1 17 21 22 ar 18 19 15 ar 19 19 18 ar 20 15 16 ar 21 41 18 1 22 18 14 ar 23 22 3 2 24 22 2 ar 25 10 31 1 26 10 32 1 27 16 2 ar 28 16 17 ar 29 14 17 ar 30 14 1 1 31 17 40 1 32 1 12 1 33 13 38 1 34 13 39 1 35 13 6 1 36 12 11 1 37 12 35 1 38 7 8 2 39 7 26 1 40 8 5 1 41 6 11 2 42 6 5 1 43 11 34 1 44 5 24 1 45 5 25 1