@MOLECULE coriandrol acetate 34 33 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6754 -0.7207 -0.1260 O.3 1 UNL1111111111 -0.4687 2 O 3.5502 0.3931 0.4554 O.2 1 UNL1111111111 -0.5199 3 C 0.9618 0.4577 -0.5454 C.3 1 UNL1111111111 0.3062 4 C -0.3907 -0.1394 -0.9843 C.3 1 UNL1111111111 -0.2929 5 C -1.0655 -0.9196 0.1550 C.3 1 UNL1111111111 -0.2567 6 C 1.6969 1.0972 -1.7213 C.3 1 UNL1111111111 -0.5000 7 C 0.8195 1.4136 0.6062 C.2 1 UNL1111111111 -0.1571 8 C -2.4935 -1.1821 -0.1954 C.2 1 UNL1111111111 -0.2366 9 C -3.5119 -0.3821 0.1481 C.2 1 UNL1111111111 0.0553 10 C 2.9455 -0.6397 0.3284 C.2 1 UNL1111111111 0.6394 11 C 0.0802 2.5199 0.5497 C.2 1 UNL1111111111 -0.3231 12 C -4.9177 -0.7021 -0.2472 C.3 1 UNL1111111111 -0.4582 13 C -3.3472 0.8714 0.9422 C.3 1 UNL1111111111 -0.4590 14 C 3.4355 -2.0148 0.6448 C.3 1 UNL1111111111 -0.5133 15 H -1.0509 0.6785 -1.3302 H 1 UNL1111111111 0.1538 16 H -0.2422 -0.8070 -1.8538 H 1 UNL1111111111 0.1525 17 H -0.9795 -0.3618 1.1093 H 1 UNL1111111111 0.1489 18 H -0.5219 -1.8703 0.3310 H 1 UNL1111111111 0.1494 19 H 1.9416 0.3550 -2.4894 H 1 UNL1111111111 0.1580 20 H 1.0966 1.8858 -2.1873 H 1 UNL1111111111 0.1585 21 H 2.6432 1.5567 -1.3961 H 1 UNL1111111111 0.1819 22 H 1.3819 1.1388 1.4997 H 1 UNL1111111111 0.1636 23 H -2.6567 -2.0861 -0.7766 H 1 UNL1111111111 0.1451 24 H -0.0139 3.2093 1.3749 H 1 UNL1111111111 0.1495 25 H -0.4779 2.8308 -0.3195 H 1 UNL1111111111 0.1444 26 H -5.2868 0.0139 -0.9954 H 1 UNL1111111111 0.1549 27 H -5.5970 -0.6547 0.6149 H 1 UNL1111111111 0.1540 28 H -5.0189 -1.7044 -0.6829 H 1 UNL1111111111 0.1506 29 H -3.3066 0.6478 2.0183 H 1 UNL1111111111 0.1577 30 H -2.4164 1.4020 0.6886 H 1 UNL1111111111 0.1615 31 H -4.1712 1.5783 0.7864 H 1 UNL1111111111 0.1493 32 H 3.4138 -2.6613 -0.2457 H 1 UNL1111111111 0.1834 33 H 2.8055 -2.4989 1.4068 H 1 UNL1111111111 0.1842 34 H 4.4687 -1.9836 1.0230 H 1 UNL1111111111 0.1834 @BOND 1 1 3 1 2 1 10 1 3 2 10 2 4 3 4 1 5 3 6 1 6 3 7 1 7 4 5 1 8 4 15 1 9 4 16 1 10 5 8 1 11 5 17 1 12 5 18 1 13 6 19 1 14 6 20 1 15 6 21 1 16 7 11 2 17 7 22 1 18 8 9 2 19 8 23 1 20 9 12 1 21 9 13 1 22 10 14 1 23 11 24 1 24 11 25 1 25 12 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1