@MOLECULE grevillol 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.3902 2.3665 0.7582 O.3 1 UNL1111111111 -0.4712 2 O -7.2932 -2.3574 0.7879 O.3 1 UNL1111111111 -0.4685 3 C 2.5389 -0.0337 0.1779 C.3 1 UNL1111111111 -0.2726 4 C 3.8788 -0.0300 -0.5710 C.3 1 UNL1111111111 -0.2732 5 C 1.3671 -0.0604 -0.8112 C.3 1 UNL1111111111 -0.2741 6 C 5.0515 0.0028 0.4172 C.3 1 UNL1111111111 -0.2715 7 C 0.0224 -0.0661 -0.0723 C.3 1 UNL1111111111 -0.2728 8 C 6.3908 -0.0000 -0.3307 C.3 1 UNL1111111111 -0.2722 9 C -1.1416 -0.0448 -1.0717 C.3 1 UNL1111111111 -0.2728 10 C 7.5636 0.0254 0.6577 C.3 1 UNL1111111111 -0.2745 11 C -2.4884 -0.0764 -0.3403 C.3 1 UNL1111111111 -0.2552 12 C 8.9029 0.0202 -0.0898 C.3 1 UNL1111111111 -0.2723 13 C -3.6481 -0.0248 -1.3487 C.3 1 UNL1111111111 -0.3023 14 C 10.0775 0.0459 0.8975 C.3 1 UNL1111111111 -0.2509 15 C -4.9523 -0.0002 -0.6116 C.ar 1 UNL1111111111 0.1659 16 C 11.4138 0.0406 0.1552 C.3 1 UNL1111111111 -0.4399 17 C -5.5576 -1.1986 -0.2398 C.ar 1 UNL1111111111 -0.3550 18 C -5.5463 1.2253 -0.2909 C.ar 1 UNL1111111111 -0.4171 19 C -6.7546 1.2202 0.4083 C.ar 1 UNL1111111111 0.3752 20 C -6.7692 -1.1515 0.4600 C.ar 1 UNL1111111111 0.3672 21 C -7.3995 0.0443 0.8023 C.ar 1 UNL1111111111 -0.4308 22 H 2.4861 -0.9073 0.8534 H 1 UNL1111111111 0.1371 23 H 2.4671 0.8579 0.8276 H 1 UNL1111111111 0.1366 24 H 3.9314 0.8407 -1.2499 H 1 UNL1111111111 0.1361 25 H 3.9537 -0.9238 -1.2181 H 1 UNL1111111111 0.1365 26 H 1.4434 -0.9509 -1.4624 H 1 UNL1111111111 0.1364 27 H 1.4241 0.8140 -1.4855 H 1 UNL1111111111 0.1358 28 H 4.9778 0.8991 1.0610 H 1 UNL1111111111 0.1364 29 H 4.9966 -0.8663 1.0991 H 1 UNL1111111111 0.1367 30 H -0.0429 0.8061 0.6039 H 1 UNL1111111111 0.1372 31 H -0.0496 -0.9588 0.5759 H 1 UNL1111111111 0.1385 32 H 6.4480 0.8719 -1.0084 H 1 UNL1111111111 0.1363 33 H 6.4611 -0.8933 -0.9788 H 1 UNL1111111111 0.1365 34 H -1.0642 -0.9067 -1.7602 H 1 UNL1111111111 0.1373 35 H -1.0759 0.8584 -1.7068 H 1 UNL1111111111 0.1354 36 H 7.5057 -0.8456 1.3367 H 1 UNL1111111111 0.1365 37 H 7.4943 0.9198 1.3045 H 1 UNL1111111111 0.1363 38 H -2.5630 0.7739 0.3639 H 1 UNL1111111111 0.1426 39 H -2.5685 -0.9897 0.2803 H 1 UNL1111111111 0.1453 40 H 8.9732 -0.8737 -0.7368 H 1 UNL1111111111 0.1365 41 H 8.9619 0.8907 -0.7691 H 1 UNL1111111111 0.1364 42 H -3.5466 0.8635 -2.0028 H 1 UNL1111111111 0.1517 43 H -3.5971 -0.8983 -2.0304 H 1 UNL1111111111 0.1552 44 H 10.0081 0.9407 1.5444 H 1 UNL1111111111 0.1335 45 H 10.0192 -0.8249 1.5774 H 1 UNL1111111111 0.1336 46 H 11.5221 -0.8539 -0.4682 H 1 UNL1111111111 0.1423 47 H 11.5111 0.9130 -0.5004 H 1 UNL1111111111 0.1422 48 H 12.2568 0.0587 0.8546 H 1 UNL1111111111 0.1401 49 H -5.1106 -2.1585 -0.4767 H 1 UNL1111111111 0.1825 50 H -5.0739 2.1555 -0.5771 H 1 UNL1111111111 0.1671 51 H -8.3354 0.0828 1.3420 H 1 UNL1111111111 0.1847 52 H -6.9024 3.1718 0.4575 H 1 UNL1111111111 0.3292 53 H -8.1475 -2.2746 1.2794 H 1 UNL1111111111 0.3303 @BOND 1 1 19 1 2 1 52 1 3 2 20 1 4 2 53 1 5 3 4 1 6 3 5 1 7 3 22 1 8 3 23 1 9 4 6 1 10 4 24 1 11 4 25 1 12 5 7 1 13 5 26 1 14 5 27 1 15 6 8 1 16 6 28 1 17 6 29 1 18 7 9 1 19 7 30 1 20 7 31 1 21 8 10 1 22 8 32 1 23 8 33 1 24 9 11 1 25 9 34 1 26 9 35 1 27 10 12 1 28 10 36 1 29 10 37 1 30 11 13 1 31 11 38 1 32 11 39 1 33 12 14 1 34 12 40 1 35 12 41 1 36 13 15 1 37 13 42 1 38 13 43 1 39 14 16 1 40 14 44 1 41 14 45 1 42 15 17 ar 43 15 18 ar 44 16 46 1 45 16 47 1 46 16 48 1 47 17 20 ar 48 17 49 1 49 18 19 ar 50 18 50 1 51 19 21 ar 52 20 21 ar 53 21 51 1