@MOLECULE 2,2-dimethyl-7-[(2s,3r)-3-methyl-2-octanyl]-4-(4-pyridinyl)-2h-chromen-5-ol 61 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1065 2.2872 -0.9892 O.3 1 UNL1111111111 -0.3614 2 O 0.8023 -2.4921 -0.4404 O.3 1 UNL1111111111 -0.4764 3 N 4.8893 -2.5277 0.9530 N.ar 1 UNL1111111111 -0.3724 4 C -4.1774 -1.4865 0.0587 C.3 1 UNL1111111111 -0.0789 5 C -3.6014 -0.7138 -1.1596 C.3 1 UNL1111111111 -0.1225 6 C -3.4525 -1.1969 1.3887 C.3 1 UNL1111111111 -0.2905 7 C -2.1132 -0.5105 -1.0530 C.ar 1 UNL1111111111 0.1775 8 C -3.3062 0.2918 1.7379 C.3 1 UNL1111111111 -0.2685 9 C -5.6737 -1.1817 0.2039 C.3 1 UNL1111111111 -0.4566 10 C -3.9019 -1.4576 -2.4682 C.3 1 UNL1111111111 -0.4441 11 C -1.9274 0.5627 2.3592 C.3 1 UNL1111111111 -0.2705 12 C -1.6025 0.7827 -1.1463 C.ar 1 UNL1111111111 -0.3836 13 C 1.4942 2.6823 -0.9933 C.3 1 UNL1111111111 0.3311 14 C -0.2342 0.9898 -0.9462 C.ar 1 UNL1111111111 0.3732 15 C 0.6708 -0.0576 -0.6667 C.ar 1 UNL1111111111 -0.3533 16 C -1.2476 -1.5857 -0.8524 C.ar 1 UNL1111111111 -0.3649 17 C 0.1168 -1.3502 -0.6561 C.ar 1 UNL1111111111 0.3870 18 C 2.0339 0.3360 -0.3854 C.2 1 UNL1111111111 0.0490 19 C 2.4201 1.6166 -0.5142 C.2 1 UNL1111111111 -0.2779 20 C -1.6457 2.0674 2.4516 C.3 1 UNL1111111111 -0.2524 21 C 1.4981 3.8983 -0.0623 C.3 1 UNL1111111111 -0.4800 22 C 1.8014 3.0493 -2.4479 C.3 1 UNL1111111111 -0.4882 23 C 3.0192 -0.6511 0.0811 C.ar 1 UNL1111111111 0.0337 24 C -0.2710 2.3195 3.0729 C.3 1 UNL1111111111 -0.4385 25 C 3.8733 -1.2724 -0.8336 C.ar 1 UNL1111111111 -0.2600 26 C 3.1137 -0.9719 1.4360 C.ar 1 UNL1111111111 -0.2404 27 C 4.7938 -2.2107 -0.3517 C.ar 1 UNL1111111111 0.0575 28 C 4.0691 -1.9183 1.8289 C.ar 1 UNL1111111111 0.0599 29 H -4.0587 -2.5804 -0.1444 H 1 UNL1111111111 0.1324 30 H -4.1087 0.2855 -1.2026 H 1 UNL1111111111 0.1483 31 H -2.4511 -1.6742 1.3543 H 1 UNL1111111111 0.1523 32 H -3.9845 -1.7167 2.2076 H 1 UNL1111111111 0.1326 33 H -3.4345 0.9187 0.8370 H 1 UNL1111111111 0.1441 34 H -4.1063 0.6051 2.4302 H 1 UNL1111111111 0.1277 35 H -6.1258 -1.7917 0.9919 H 1 UNL1111111111 0.1414 36 H -6.2202 -1.3868 -0.7225 H 1 UNL1111111111 0.1392 37 H -5.8451 -0.1316 0.4686 H 1 UNL1111111111 0.1464 38 H -3.4227 -2.4433 -2.4924 H 1 UNL1111111111 0.1507 39 H -3.5313 -0.8946 -3.3334 H 1 UNL1111111111 0.1493 40 H -4.9774 -1.6066 -2.6048 H 1 UNL1111111111 0.1424 41 H -1.1390 0.0837 1.7434 H 1 UNL1111111111 0.1465 42 H -1.8623 0.0960 3.3570 H 1 UNL1111111111 0.1315 43 H -2.2439 1.6352 -1.3440 H 1 UNL1111111111 0.1787 44 H -1.6193 -2.6063 -0.8194 H 1 UNL1111111111 0.1856 45 H 3.4302 1.9474 -0.2928 H 1 UNL1111111111 0.1685 46 H -1.6868 2.5172 1.4395 H 1 UNL1111111111 0.1410 47 H -2.4318 2.5689 3.0435 H 1 UNL1111111111 0.1289 48 H 1.2501 3.6047 0.9673 H 1 UNL1111111111 0.1661 49 H 2.4747 4.3904 -0.0527 H 1 UNL1111111111 0.1553 50 H 0.7474 4.6351 -0.3744 H 1 UNL1111111111 0.1626 51 H 2.7963 3.4939 -2.5493 H 1 UNL1111111111 0.1549 52 H 1.7601 2.1615 -3.0911 H 1 UNL1111111111 0.1629 53 H 1.0654 3.7647 -2.8349 H 1 UNL1111111111 0.1617 54 H -0.2044 1.8979 4.0812 H 1 UNL1111111111 0.1397 55 H -0.0596 3.3908 3.1467 H 1 UNL1111111111 0.1340 56 H 0.5240 1.8632 2.4708 H 1 UNL1111111111 0.1445 57 H 1.7753 -2.3840 -0.3384 H 1 UNL1111111111 0.3365 58 H 3.8257 -1.0287 -1.8932 H 1 UNL1111111111 0.1783 59 H 2.4618 -0.4984 2.1668 H 1 UNL1111111111 0.1803 60 H 5.4869 -2.7349 -1.0207 H 1 UNL1111111111 0.1737 61 H 4.1916 -2.2112 2.8786 H 1 UNL1111111111 0.1738 @BOND 1 1 13 1 2 1 14 1 3 2 17 1 4 2 57 1 5 3 27 ar 6 3 28 ar 7 4 5 1 8 4 6 1 9 4 9 1 10 4 29 1 11 5 7 1 12 5 10 1 13 5 30 1 14 6 8 1 15 6 31 1 16 6 32 1 17 7 12 ar 18 7 16 ar 19 8 11 1 20 8 33 1 21 8 34 1 22 9 35 1 23 9 36 1 24 9 37 1 25 10 38 1 26 10 39 1 27 10 40 1 28 11 20 1 29 11 41 1 30 11 42 1 31 12 14 ar 32 12 43 1 33 13 19 1 34 13 21 1 35 13 22 1 36 14 15 ar 37 15 17 ar 38 15 18 1 39 16 17 ar 40 16 44 1 41 18 19 2 42 18 23 1 43 19 45 1 44 20 24 1 45 20 46 1 46 20 47 1 47 21 48 1 48 21 49 1 49 21 50 1 50 22 51 1 51 22 52 1 52 22 53 1 53 23 25 ar 54 23 26 ar 55 24 54 1 56 24 55 1 57 24 56 1 58 25 27 ar 59 25 58 1 60 26 28 ar 61 26 59 1 62 27 60 1 63 28 61 1