@MOLECULE (Z,6S)-3,3,6-trimethyloct-4-ene 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3582 1.5738 -0.3730 C.3 1 UNL11111111 -0.4378 2 C -2.6931 0.6320 0.6300 C.3 1 UNL11111111 -0.2608 3 C -1.7454 -0.3634 -0.0739 C.3 1 UNL11111111 -0.0941 4 H -1.1896 0.1852 -0.8749 H 1 UNL11111111 0.1454 5 C -2.5262 -1.5120 -0.7288 C.3 1 UNL11111111 -0.4459 6 C -0.7984 -0.9338 0.9382 C.2 1 UNL11111111 -0.1720 7 C 0.5299 -0.7958 0.9824 C.2 1 UNL11111111 -0.1984 8 C 1.4299 -0.0302 0.0411 C.3 1 UNL11111111 0.1060 9 C 1.3162 -0.6094 -1.3779 C.3 1 UNL11111111 -0.4582 10 C 1.0457 1.4583 0.0542 C.3 1 UNL11111111 -0.4596 11 C 2.8926 -0.1892 0.5477 C.3 1 UNL11111111 -0.2739 12 C 3.9365 0.5183 -0.3148 C.3 1 UNL11111111 -0.4341 13 H -2.6178 2.1851 -0.9011 H 1 UNL11111111 0.1410 14 H -3.9265 1.0194 -1.1282 H 1 UNL11111111 0.1432 15 H -4.0539 2.2571 0.1264 H 1 UNL11111111 0.1404 16 H -2.1235 1.2224 1.3740 H 1 UNL11111111 0.1389 17 H -3.4596 0.0826 1.2060 H 1 UNL11111111 0.1368 18 H -3.2153 -1.1367 -1.4922 H 1 UNL11111111 0.1429 19 H -1.8451 -2.2219 -1.2117 H 1 UNL11111111 0.1448 20 H -3.1174 -2.0693 0.0051 H 1 UNL11111111 0.1438 21 H -1.3026 -1.5243 1.7083 H 1 UNL11111111 0.1405 22 H 1.0707 -1.2873 1.7968 H 1 UNL11111111 0.1410 23 H 0.2884 -0.5663 -1.7535 H 1 UNL11111111 0.1470 24 H 1.9441 -0.0582 -2.0849 H 1 UNL11111111 0.1455 25 H 1.6262 -1.6595 -1.3994 H 1 UNL11111111 0.1462 26 H 1.1890 1.8919 1.0495 H 1 UNL11111111 0.1461 27 H 1.6505 2.0329 -0.6541 H 1 UNL11111111 0.1451 28 H -0.0047 1.6096 -0.2163 H 1 UNL11111111 0.1486 29 H 2.9560 0.1946 1.5840 H 1 UNL11111111 0.1346 30 H 3.1377 -1.2672 0.6034 H 1 UNL11111111 0.1343 31 H 3.9509 0.1254 -1.3370 H 1 UNL11111111 0.1426 32 H 3.7491 1.5958 -0.3755 H 1 UNL11111111 0.1429 33 H 4.9420 0.3843 0.1002 H 1 UNL11111111 0.1371 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 7 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1