@MOLECULE 2h-1-benzopyran-2-one, 4-hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)- 57 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9085 -1.6124 1.6533 O.2 1 UNL1 -0.3794 2 O 0.9547 -1.4281 -2.4636 O.3 1 UNL1 -0.4512 3 O -1.1820 -2.2013 1.7331 O.2 1 UNL1 -0.4312 4 C -4.2575 0.5940 -1.2418 C.3 1 UNL1 -0.2902 5 C -4.2365 1.5720 -0.0497 C.3 1 UNL1 -0.2493 6 C -3.5434 -0.6832 -0.9040 C.2 1 UNL1 0.0809 7 C -0.7023 2.6313 1.1543 C.3 1 UNL1 -0.2806 8 C -2.0499 1.9703 1.1228 C.2 1 UNL1 0.0470 9 C -2.8862 2.1912 0.0998 C.2 1 UNL1 -0.2382 10 C -1.5664 -2.2073 -1.1503 C.3 1 UNL1 -0.2186 11 C 0.3900 1.5831 0.8726 C.3 1 UNL1 -0.2653 12 C -2.3391 -0.9548 -1.4254 C.2 1 UNL1 -0.2580 13 C -0.2801 -1.8857 -0.4656 C.ar 1 UNL1 -0.3674 14 C -4.2621 -1.6044 0.0240 C.3 1 UNL1 -0.4668 15 C -2.3544 1.0616 2.2645 C.3 1 UNL1 -0.4599 16 C 0.8573 -1.5353 -1.1256 C.ar 1 UNL1 0.3838 17 C 2.0801 -1.2396 -0.4228 C.ar 1 UNL1 -0.2371 18 C 1.6782 2.2585 0.5397 C.2 1 UNL1 -0.2296 19 C 2.0271 -1.2865 0.9784 C.ar 1 UNL1 0.3143 20 C -0.2912 -1.9279 0.9770 C.ar 1 UNL1 0.6251 21 C 2.0992 2.4983 -0.7092 C.2 1 UNL1 0.0517 22 C 3.2889 -0.8939 -1.0461 C.ar 1 UNL1 -0.0202 23 C 3.1508 -0.9890 1.7670 C.ar 1 UNL1 -0.2502 24 C 4.4022 -0.6031 -0.2768 C.ar 1 UNL1 -0.2335 25 C 4.3283 -0.6467 1.1259 C.ar 1 UNL1 -0.0426 26 C 3.4108 3.1657 -0.9719 C.3 1 UNL1 -0.4582 27 C 1.3220 2.1177 -1.9259 C.3 1 UNL1 -0.4579 28 H -3.8087 1.0830 -2.1285 H 1 UNL1 0.1450 29 H -5.3060 0.3748 -1.5255 H 1 UNL1 0.1408 30 H -4.5518 1.0457 0.8728 H 1 UNL1 0.1465 31 H -4.9946 2.3661 -0.2102 H 1 UNL1 0.1363 32 H -0.6348 3.4479 0.4083 H 1 UNL1 0.1462 33 H -0.5240 3.1145 2.1343 H 1 UNL1 0.1478 34 H -2.6095 2.8544 -0.7171 H 1 UNL1 0.1416 35 H -2.1579 -2.9190 -0.5253 H 1 UNL1 0.1722 36 H -1.3934 -2.7667 -2.0956 H 1 UNL1 0.1361 37 H 0.5135 0.9216 1.7551 H 1 UNL1 0.1498 38 H 0.0582 0.9127 0.0534 H 1 UNL1 0.1468 39 H -1.8350 -0.2437 -2.0739 H 1 UNL1 0.1437 40 H -5.1725 -1.1617 0.4458 H 1 UNL1 0.1506 41 H -3.6208 -1.8865 0.8787 H 1 UNL1 0.1791 42 H -4.5583 -2.5338 -0.4810 H 1 UNL1 0.1545 43 H -2.4410 0.0158 1.9208 H 1 UNL1 0.1735 44 H -1.5753 1.0706 3.0378 H 1 UNL1 0.1559 45 H -3.3009 1.3223 2.7550 H 1 UNL1 0.1509 46 H 2.2671 2.5577 1.4029 H 1 UNL1 0.1441 47 H 3.3346 -0.8559 -2.1363 H 1 UNL1 0.1641 48 H 3.0730 -1.0282 2.8513 H 1 UNL1 0.1824 49 H 5.3407 -0.3322 -0.7537 H 1 UNL1 0.1566 50 H 5.2152 -0.4045 1.7132 H 1 UNL1 0.1508 51 H 1.3940 1.0342 -2.1115 H 1 UNL1 0.1615 52 H 0.2542 2.3578 -1.8162 H 1 UNL1 0.1606 53 H 3.9758 3.3663 -0.0529 H 1 UNL1 0.1484 54 H 3.2688 4.1288 -1.4816 H 1 UNL1 0.1533 55 H 4.0485 2.5431 -1.6142 H 1 UNL1 0.1510 56 H 1.6761 2.6258 -2.8302 H 1 UNL1 0.1463 57 H 0.0857 -1.6098 -2.9213 H 1 UNL1 0.3462 @BOND 1 57 2 1 2 56 27 1 3 2 16 1 4 47 22 1 5 28 4 1 6 51 27 1 7 36 10 1 8 39 12 1 9 27 52 1 10 27 21 1 11 55 26 1 12 29 4 1 13 54 26 1 14 12 10 1 15 12 6 2 16 4 6 1 17 4 5 1 18 10 35 1 19 10 13 1 20 16 13 ar 21 16 17 ar 22 22 17 ar 23 22 24 ar 24 26 21 1 25 26 53 1 26 6 14 1 27 49 24 1 28 34 9 1 29 21 18 2 30 42 14 1 31 13 20 ar 32 17 19 ar 33 24 25 ar 34 31 5 1 35 5 9 1 36 5 30 1 37 14 40 1 38 14 41 1 39 38 11 1 40 9 8 2 41 32 7 1 42 18 11 1 43 18 46 1 44 11 7 1 45 11 37 1 46 20 1 ar 47 20 3 2 48 19 1 ar 49 19 23 ar 50 8 7 1 51 8 15 1 52 25 50 1 53 25 23 ar 54 7 33 1 55 23 48 1 56 43 15 1 57 15 45 1 58 15 44 1