@MOLECULE 11-epispathulenol 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5045 -2.5610 -0.8736 O.3 1 UNL1111111111 -0.5760 2 C 0.9569 -0.3071 -0.6385 C.3 1 UNL1111111111 -0.2120 3 C 2.3026 -0.3249 0.0780 C.3 1 UNL1111111111 0.0231 4 C 1.8233 0.9446 -0.6197 C.3 1 UNL1111111111 -0.1929 5 C -0.3486 -0.3083 0.1065 C.3 1 UNL1111111111 -0.1667 6 C -1.3395 0.6938 -0.5501 C.3 1 UNL1111111111 -0.1291 7 C -1.0678 -1.6908 0.0866 C.3 1 UNL1111111111 0.3267 8 C 1.3745 2.1699 0.1385 C.3 1 UNL1111111111 -0.2485 9 C 2.3920 -0.4031 1.5793 C.3 1 UNL1111111111 -0.4384 10 C 3.4213 -1.0918 -0.5917 C.3 1 UNL1111111111 -0.4430 11 C -2.7304 0.0715 -0.3192 C.3 1 UNL1111111111 -0.2758 12 C -2.5056 -1.4424 -0.4164 C.3 1 UNL1111111111 -0.3065 13 C 0.1038 2.7713 -0.4934 C.3 1 UNL1111111111 -0.2921 14 C -1.1281 2.0687 0.0108 C.2 1 UNL1111111111 0.0523 15 C -1.0135 -2.3714 1.4557 C.3 1 UNL1111111111 -0.5125 16 C -1.9293 2.6563 0.9019 C.2 1 UNL1111111111 -0.3920 17 H 0.8873 -0.8437 -1.5964 H 1 UNL1111111111 0.1713 18 H 2.3273 1.2127 -1.5569 H 1 UNL1111111111 0.1533 19 H -0.1953 -0.0045 1.1683 H 1 UNL1111111111 0.1511 20 H -1.1523 0.7190 -1.6533 H 1 UNL1111111111 0.1550 21 H 2.1861 2.9238 0.1387 H 1 UNL1111111111 0.1393 22 H 1.1864 1.9451 1.2062 H 1 UNL1111111111 0.1461 23 H 2.3681 -1.4451 1.9233 H 1 UNL1111111111 0.1484 24 H 3.3287 0.0445 1.9385 H 1 UNL1111111111 0.1532 25 H 1.5719 0.1219 2.0849 H 1 UNL1111111111 0.1483 26 H 3.3577 -1.0568 -1.6860 H 1 UNL1111111111 0.1480 27 H 4.4002 -0.6822 -0.3114 H 1 UNL1111111111 0.1513 28 H 3.4080 -2.1487 -0.2991 H 1 UNL1111111111 0.1475 29 H -3.4617 0.4325 -1.0577 H 1 UNL1111111111 0.1404 30 H -3.1306 0.3375 0.6743 H 1 UNL1111111111 0.1414 31 H -3.2499 -2.0134 0.1557 H 1 UNL1111111111 0.1441 32 H -2.5887 -1.7932 -1.4645 H 1 UNL1111111111 0.1665 33 H 0.1623 2.7059 -1.5989 H 1 UNL1111111111 0.1518 34 H 0.0572 3.8546 -0.2677 H 1 UNL1111111111 0.1442 35 H -1.5975 -1.8187 2.1989 H 1 UNL1111111111 0.1570 36 H -1.4214 -3.3883 1.3963 H 1 UNL1111111111 0.1631 37 H 0.0140 -2.4485 1.8257 H 1 UNL1111111111 0.1489 38 H 0.4122 -2.8005 -0.6386 H 1 UNL1111111111 0.3192 39 H -2.8201 2.2080 1.3072 H 1 UNL1111111111 0.1479 40 H -1.7551 3.6423 1.2992 H 1 UNL1111111111 0.1465 @BOND 1 1 7 1 2 1 38 1 3 2 3 1 4 2 4 1 5 2 5 1 6 2 17 1 7 3 4 1 8 3 9 1 9 3 10 1 10 4 8 1 11 4 18 1 12 5 6 1 13 5 7 1 14 5 19 1 15 6 11 1 16 6 14 1 17 6 20 1 18 7 12 1 19 7 15 1 20 8 13 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 10 28 1 29 11 12 1 30 11 29 1 31 11 30 1 32 12 31 1 33 12 32 1 34 13 14 1 35 13 33 1 36 13 34 1 37 14 16 2 38 15 35 1 39 15 36 1 40 15 37 1 41 16 39 1 42 16 40 1