@MOLECULE (Z,3S)-3,6,6-trimethylnon-4-ene 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7739 -1.6360 0.3359 C.3 1 UNL11111111 -0.4377 2 C -3.0916 -0.6970 -0.6579 C.3 1 UNL11111111 -0.2615 3 C -2.2095 0.3476 0.0594 C.3 1 UNL11111111 -0.0943 4 H -1.6585 -0.1642 0.8874 H 1 UNL11111111 0.1456 5 C -3.0584 1.4732 0.6675 C.3 1 UNL11111111 -0.4467 6 C -1.2550 0.9372 -0.9349 C.2 1 UNL11111111 -0.1718 7 C 0.0765 0.8277 -0.9536 C.2 1 UNL11111111 -0.1961 8 C 0.9755 0.0883 0.0092 C.3 1 UNL11111111 0.1037 9 C 0.8335 0.6879 1.4177 C.3 1 UNL11111111 -0.4590 10 C 0.6175 -1.4065 0.0142 C.3 1 UNL11111111 -0.4609 11 C 2.4408 0.2661 -0.4796 C.3 1 UNL11111111 -0.2952 12 C 3.4814 -0.4562 0.3845 C.3 1 UNL11111111 -0.2460 13 C 4.8931 -0.1971 -0.1451 C.3 1 UNL11111111 -0.4420 14 H -4.4031 -1.0843 1.0433 H 1 UNL11111111 0.1432 15 H -4.4159 -2.3583 -0.1805 H 1 UNL11111111 0.1405 16 H -3.0414 -2.2048 0.9195 H 1 UNL11111111 0.1409 17 H -2.4684 -1.2859 -1.3593 H 1 UNL11111111 0.1391 18 H -3.8471 -0.1876 -1.2835 H 1 UNL11111111 0.1371 19 H -3.7621 1.0812 1.4091 H 1 UNL11111111 0.1431 20 H -2.4247 2.2152 1.1661 H 1 UNL11111111 0.1446 21 H -3.6422 1.9975 -0.0963 H 1 UNL11111111 0.1439 22 H -1.7570 1.5140 -1.7166 H 1 UNL11111111 0.1402 23 H 0.6222 1.3277 -1.7597 H 1 UNL11111111 0.1414 24 H -0.2055 0.6705 1.7639 H 1 UNL11111111 0.1483 25 H 1.4301 0.1352 2.1502 H 1 UNL11111111 0.1444 26 H 1.1640 1.7321 1.4343 H 1 UNL11111111 0.1469 27 H 0.8165 -1.8606 -0.9625 H 1 UNL11111111 0.1469 28 H 1.1959 -1.9543 0.7645 H 1 UNL11111111 0.1444 29 H -0.4424 -1.5701 0.2371 H 1 UNL11111111 0.1503 30 H 2.5195 -0.0971 -1.5219 H 1 UNL11111111 0.1374 31 H 2.6803 1.3459 -0.5123 H 1 UNL11111111 0.1374 32 H 3.4088 -0.1192 1.4354 H 1 UNL11111111 0.1347 33 H 3.2803 -1.5437 0.3972 H 1 UNL11111111 0.1347 34 H 5.6441 -0.7136 0.4624 H 1 UNL11111111 0.1389 35 H 5.0048 -0.5485 -1.1766 H 1 UNL11111111 0.1418 36 H 5.1361 0.8710 -0.1318 H 1 UNL11111111 0.1419 @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 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 7 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1