@MOLECULE (+)-piperitol 46 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3482 -0.9326 1.6483 O.3 1 UNL1111111111 -0.3952 2 O 1.6409 1.4151 1.3085 O.3 1 UNL1111111111 -0.4147 3 O -5.8613 -1.6293 -0.4489 O.3 1 UNL1111111111 -0.3385 4 O -6.6311 0.4154 -1.3381 O.3 1 UNL1111111111 -0.3425 5 O 5.9642 1.0379 -1.1283 O.3 1 UNL1111111111 -0.3456 6 O 6.5466 -1.5918 -1.1829 O.3 1 UNL1111111111 -0.4548 7 C -0.4768 0.8561 0.3097 C.3 1 UNL1111111111 -0.1898 8 C 0.4607 -0.3718 0.2246 C.3 1 UNL1111111111 -0.1845 9 C -1.6399 0.3925 1.2199 C.3 1 UNL1111111111 0.1025 10 C 1.6583 0.0005 1.1234 C.3 1 UNL1111111111 0.1075 11 C -0.3806 -1.5199 0.7855 C.3 1 UNL1111111111 -0.0478 12 C 0.3864 1.9630 0.9195 C.3 1 UNL1111111111 -0.0443 13 C -2.9693 0.4308 0.5141 C.ar 1 UNL1111111111 -0.0533 14 C 2.9693 -0.3854 0.5013 C.ar 1 UNL1111111111 -0.0568 15 C -3.7293 -0.7512 0.4180 C.ar 1 UNL1111111111 -0.1794 16 C -3.4293 1.6407 -0.0002 C.ar 1 UNL1111111111 -0.1805 17 C 3.8274 0.5946 -0.0039 C.ar 1 UNL1111111111 -0.2074 18 C 3.3160 -1.7349 0.4394 C.ar 1 UNL1111111111 -0.1692 19 C -4.9379 -0.6387 -0.2228 C.ar 1 UNL1111111111 0.1277 20 C -4.6687 1.7461 -0.6566 C.ar 1 UNL1111111111 -0.1783 21 C 5.0335 0.2091 -0.5699 C.ar 1 UNL1111111111 0.1035 22 C -5.4003 0.5876 -0.7544 C.ar 1 UNL1111111111 0.1216 23 C 4.5238 -2.1299 -0.1349 C.ar 1 UNL1111111111 -0.1891 24 C 5.3820 -1.1567 -0.6363 C.ar 1 UNL1111111111 0.1953 25 C -6.9463 -0.9832 -1.1523 C.3 1 UNL1111111111 0.1576 26 C 5.8359 2.4213 -0.8354 C.3 1 UNL1111111111 -0.1847 27 H -0.8517 1.1480 -0.6921 H 1 UNL1111111111 0.1601 28 H 0.7911 -0.5720 -0.8134 H 1 UNL1111111111 0.1620 29 H -1.6956 0.9555 2.1816 H 1 UNL1111111111 0.1540 30 H 1.5604 -0.4204 2.1519 H 1 UNL1111111111 0.1487 31 H -0.9150 -2.0750 -0.0044 H 1 UNL1111111111 0.1305 32 H 0.1690 -2.2230 1.4308 H 1 UNL1111111111 0.1420 33 H 0.6340 2.7609 0.1989 H 1 UNL1111111111 0.1301 34 H -0.0411 2.4108 1.8326 H 1 UNL1111111111 0.1324 35 H -3.3749 -1.6902 0.8390 H 1 UNL1111111111 0.1927 36 H -2.8230 2.5395 0.1053 H 1 UNL1111111111 0.1585 37 H 3.5391 1.6435 0.0573 H 1 UNL1111111111 0.1813 38 H 2.6454 -2.4914 0.8418 H 1 UNL1111111111 0.1556 39 H -5.0210 2.6903 -1.0577 H 1 UNL1111111111 0.1728 40 H 4.8070 -3.1790 -0.1917 H 1 UNL1111111111 0.1758 41 H -7.8409 -1.0438 -0.5170 H 1 UNL1111111111 0.1424 42 H -7.0227 -1.4443 -2.1464 H 1 UNL1111111111 0.1413 43 H 7.1073 -0.8269 -1.4773 H 1 UNL1111111111 0.3374 44 H 5.8113 2.5974 0.2442 H 1 UNL1111111111 0.1381 45 H 4.9487 2.8322 -1.3272 H 1 UNL1111111111 0.1336 46 H 6.7516 2.8378 -1.2773 H 1 UNL1111111111 0.1513 @BOND 1 1 9 1 2 1 11 1 3 2 10 1 4 2 12 1 5 3 19 1 6 3 25 1 7 4 22 1 8 4 25 1 9 5 21 1 10 5 26 1 11 6 24 1 12 6 43 1 13 7 8 1 14 7 9 1 15 7 12 1 16 7 27 1 17 8 10 1 18 8 11 1 19 8 28 1 20 9 13 1 21 9 29 1 22 10 14 1 23 10 30 1 24 11 31 1 25 11 32 1 26 12 33 1 27 12 34 1 28 13 15 ar 29 13 16 ar 30 14 17 ar 31 14 18 ar 32 15 19 ar 33 15 35 1 34 16 20 ar 35 16 36 1 36 17 21 ar 37 17 37 1 38 18 23 ar 39 18 38 1 40 19 22 ar 41 20 22 ar 42 20 39 1 43 21 24 ar 44 23 24 ar 45 23 40 1 46 25 41 1 47 25 42 1 48 26 44 1 49 26 45 1 50 26 46 1