@MOLECULE linamarin 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1042 -0.6549 0.1066 O.3 1 UNL1111111111 -0.4480 2 O 1.6951 0.8082 -0.4385 O.3 1 UNL1111111111 -0.3800 3 O -2.6278 2.2077 -0.7784 O.3 1 UNL1111111111 -0.5550 4 O -3.5141 -0.3626 0.3423 O.3 1 UNL1111111111 -0.5553 5 O -0.0726 2.9039 0.5051 O.3 1 UNL1111111111 -0.5489 6 O -2.4804 -2.7227 -0.5493 O.3 1 UNL1111111111 -0.5416 7 N 2.3187 -2.5299 -0.0483 N.1 1 UNL1111111111 -0.2439 8 C -1.8891 1.3978 0.1144 C.3 1 UNL1111111111 0.0383 9 C -2.2105 -0.0832 -0.1200 C.3 1 UNL1111111111 0.0456 10 C -0.4190 1.7307 -0.2013 C.3 1 UNL1111111111 0.0692 11 C -1.1810 -0.9751 0.5967 C.3 1 UNL1111111111 0.0184 12 C 0.5512 0.6682 0.3628 C.3 1 UNL1111111111 0.2791 13 C -1.3414 -2.4679 0.2315 C.3 1 UNL1111111111 -0.0134 14 C 2.8397 0.0408 -0.0842 C.3 1 UNL1111111111 0.3285 15 C 3.3911 0.4789 1.2735 C.3 1 UNL1111111111 -0.5007 16 C 3.8055 0.3542 -1.2334 C.3 1 UNL1111111111 -0.4661 17 C 2.5355 -1.3951 -0.0657 C.1 1 UNL1111111111 0.0717 18 H -2.1541 1.7234 1.1474 H 1 UNL1111111111 0.1416 19 H -2.2767 -0.3272 -1.2111 H 1 UNL1111111111 0.1952 20 H -0.2620 1.8872 -1.2944 H 1 UNL1111111111 0.1705 21 H -1.2024 -0.8206 1.6962 H 1 UNL1111111111 0.1214 22 H 0.7690 0.7890 1.4419 H 1 UNL1111111111 0.1317 23 H -1.3810 -3.1027 1.1333 H 1 UNL1111111111 0.1245 24 H -0.5008 -2.8079 -0.4166 H 1 UNL1111111111 0.1813 25 H -3.5399 1.8555 -0.8824 H 1 UNL1111111111 0.3365 26 H -3.6069 -0.1939 1.3023 H 1 UNL1111111111 0.3188 27 H -0.5760 3.6675 0.1436 H 1 UNL1111111111 0.3363 28 H 3.4094 1.5767 1.3427 H 1 UNL1111111111 0.1782 29 H 2.7894 0.1072 2.1109 H 1 UNL1111111111 0.1605 30 H 4.4163 0.1210 1.4264 H 1 UNL1111111111 0.1659 31 H 4.0365 1.4279 -1.2650 H 1 UNL1111111111 0.1724 32 H 3.3584 0.0957 -2.2047 H 1 UNL1111111111 0.1744 33 H 4.7459 -0.1978 -1.1337 H 1 UNL1111111111 0.1621 34 H -3.2681 -2.2570 -0.1936 H 1 UNL1111111111 0.3306 @BOND 1 1 11 1 2 1 12 1 3 2 12 1 4 2 14 1 5 3 8 1 6 3 25 1 7 4 9 1 8 4 26 1 9 5 10 1 10 5 27 1 11 6 13 1 12 6 34 1 13 7 17 3 14 8 9 1 15 8 10 1 16 8 18 1 17 9 11 1 18 9 19 1 19 10 12 1 20 10 20 1 21 11 13 1 22 11 21 1 23 12 22 1 24 13 23 1 25 13 24 1 26 14 15 1 27 14 16 1 28 14 17 1 29 15 28 1 30 15 29 1 31 15 30 1 32 16 31 1 33 16 32 1 34 16 33 1