@MOLECULE 5-{[(3e)-9-ethoxy-5,9-dimethyl-3-decen-1-yl]oxy}-1,3-benzodioxole 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2888 -3.0480 0.9666 O.3 1 UNL1111111111 -0.4353 2 O 0.3080 2.9753 0.3070 O.3 1 UNL1111111111 -0.3368 3 O 4.0341 -0.0647 1.0846 O.3 1 UNL1111111111 -0.3414 4 O 3.9933 -0.7532 -1.1716 O.3 1 UNL1111111111 -0.3410 5 C -0.2567 -2.6480 0.0790 C.3 1 UNL1111111111 0.3190 6 C -0.7812 -1.6650 -0.9882 C.3 1 UNL1111111111 -0.3358 7 C -1.6446 -0.5652 -0.3633 C.3 1 UNL1111111111 -0.2661 8 C -2.4641 0.1656 -1.4325 C.3 1 UNL1111111111 -0.2768 9 C -3.3782 1.2283 -0.7868 C.3 1 UNL1111111111 -0.0994 10 C 0.7321 -1.9745 1.0405 C.3 1 UNL1111111111 -0.4764 11 C 0.3939 -3.8663 -0.5928 C.3 1 UNL1111111111 -0.5122 12 C -4.3440 1.8055 -1.8301 C.3 1 UNL1111111111 -0.4493 13 C -2.5280 2.3296 -0.2299 C.2 1 UNL1111111111 -0.1345 14 C -2.3493 -3.8183 0.4244 C.3 1 UNL1111111111 -0.0133 15 C -2.4459 2.6072 1.0742 C.2 1 UNL1111111111 -0.1904 16 C -1.5129 3.6557 1.5934 C.3 1 UNL1111111111 -0.2954 17 C -3.4607 -3.7083 1.4663 C.3 1 UNL1111111111 -0.4585 18 C -0.0945 3.0773 1.6789 C.3 1 UNL1111111111 -0.0291 19 C 1.2253 2.0248 0.0005 C.ar 1 UNL1111111111 0.2638 20 C 3.0379 0.5926 0.4131 C.ar 1 UNL1111111111 0.1982 21 C 2.1565 1.5138 0.9279 C.ar 1 UNL1111111111 -0.3301 22 C 3.0114 0.1866 -0.9394 C.ar 1 UNL1111111111 0.0445 23 C 1.1926 1.6353 -1.3452 C.ar 1 UNL1111111111 -0.2646 24 C 2.1037 0.6932 -1.8406 C.ar 1 UNL1111111111 -0.1116 25 C 4.6512 -0.9287 0.0997 C.3 1 UNL1111111111 0.1580 26 H -1.3607 -2.2141 -1.7531 H 1 UNL1111111111 0.1378 27 H 0.0748 -1.2149 -1.5253 H 1 UNL1111111111 0.1497 28 H -1.0047 0.1573 0.1802 H 1 UNL1111111111 0.1465 29 H -2.3168 -1.0006 0.4031 H 1 UNL1111111111 0.1529 30 H -3.0801 -0.5561 -1.9984 H 1 UNL1111111111 0.1340 31 H -1.7898 0.6389 -2.1703 H 1 UNL1111111111 0.1400 32 H -3.9762 0.7414 0.0228 H 1 UNL1111111111 0.1386 33 H 1.0895 -2.6834 1.7955 H 1 UNL1111111111 0.1550 34 H 0.2507 -1.1506 1.5808 H 1 UNL1111111111 0.1593 35 H 1.5956 -1.5727 0.5026 H 1 UNL1111111111 0.1542 36 H 1.3131 -3.5811 -1.1151 H 1 UNL1111111111 0.1553 37 H -0.2693 -4.3370 -1.3227 H 1 UNL1111111111 0.1449 38 H 0.6549 -4.6238 0.1550 H 1 UNL1111111111 0.1570 39 H -5.0199 1.0352 -2.2151 H 1 UNL1111111111 0.1426 40 H -3.8067 2.2336 -2.6829 H 1 UNL1111111111 0.1447 41 H -4.9603 2.6011 -1.3966 H 1 UNL1111111111 0.1446 42 H -1.9439 2.8771 -0.9699 H 1 UNL1111111111 0.1518 43 H -2.6672 -3.4240 -0.5556 H 1 UNL1111111111 0.1144 44 H -1.9933 -4.8567 0.3097 H 1 UNL1111111111 0.1103 45 H -3.0168 2.0709 1.8253 H 1 UNL1111111111 0.1437 46 H -1.5116 4.5473 0.9307 H 1 UNL1111111111 0.1603 47 H -1.8286 4.0230 2.5883 H 1 UNL1111111111 0.1477 48 H -3.8143 -2.6739 1.5555 H 1 UNL1111111111 0.1538 49 H -3.0924 -4.0046 2.4572 H 1 UNL1111111111 0.1570 50 H -4.3112 -4.3454 1.2105 H 1 UNL1111111111 0.1432 51 H 0.6120 3.7615 2.1775 H 1 UNL1111111111 0.1256 52 H -0.0879 2.0889 2.1704 H 1 UNL1111111111 0.1377 53 H 2.1897 1.8297 1.9614 H 1 UNL1111111111 0.1840 54 H 0.4419 2.0686 -2.0023 H 1 UNL1111111111 0.1776 55 H 2.0874 0.3811 -2.8808 H 1 UNL1111111111 0.1719 56 H 4.4917 -1.9668 0.4226 H 1 UNL1111111111 0.1406 57 H 5.6960 -0.6102 -0.0125 H 1 UNL1111111111 0.1379 @BOND 1 1 5 1 2 1 14 1 3 2 18 1 4 2 19 1 5 3 20 1 6 3 25 1 7 4 22 1 8 4 25 1 9 5 6 1 10 5 10 1 11 5 11 1 12 6 7 1 13 6 26 1 14 6 27 1 15 7 8 1 16 7 28 1 17 7 29 1 18 8 9 1 19 8 30 1 20 8 31 1 21 9 12 1 22 9 13 1 23 9 32 1 24 10 33 1 25 10 34 1 26 10 35 1 27 11 36 1 28 11 37 1 29 11 38 1 30 12 39 1 31 12 40 1 32 12 41 1 33 13 15 2 34 13 42 1 35 14 17 1 36 14 43 1 37 14 44 1 38 15 16 1 39 15 45 1 40 16 18 1 41 16 46 1 42 16 47 1 43 17 48 1 44 17 49 1 45 17 50 1 46 18 51 1 47 18 52 1 48 19 21 ar 49 19 23 ar 50 20 21 ar 51 20 22 ar 52 21 53 1 53 22 24 ar 54 23 24 ar 55 23 54 1 56 24 55 1 57 25 56 1 58 25 57 1