@MOLECULE 3-methyl-4-octene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9885 0.6800 0.3457 C.3 1 UNL11111111 -0.4372 2 C 2.6624 0.7108 -0.4123 C.3 1 UNL11111111 -0.2600 3 C 1.6386 -0.2773 0.1859 C.3 1 UNL11111111 -0.0892 4 H 1.6255 -0.1465 1.2961 H 1 UNL11111111 0.1374 5 C 2.0087 -1.7331 -0.1309 C.3 1 UNL11111111 -0.4445 6 C 0.2840 0.0166 -0.3918 C.2 1 UNL11111111 -0.1838 7 C -0.7645 0.3522 0.3639 C.2 1 UNL11111111 -0.1667 8 C -2.1163 0.6453 -0.2027 C.3 1 UNL11111111 -0.2790 9 C -3.1684 -0.2837 0.4247 C.3 1 UNL11111111 -0.2415 10 C -4.5510 -0.0270 -0.1730 C.3 1 UNL11111111 -0.4408 11 H 4.6971 1.4072 -0.0665 H 1 UNL11111111 0.1396 12 H 3.8502 0.9193 1.4059 H 1 UNL11111111 0.1419 13 H 4.4611 -0.3066 0.2889 H 1 UNL11111111 0.1428 14 H 2.2420 1.7353 -0.3841 H 1 UNL11111111 0.1379 15 H 2.8282 0.4820 -1.4810 H 1 UNL11111111 0.1362 16 H 2.1128 -1.8961 -1.2086 H 1 UNL11111111 0.1440 17 H 2.9567 -2.0128 0.3400 H 1 UNL11111111 0.1428 18 H 1.2387 -2.4219 0.2349 H 1 UNL11111111 0.1452 19 H 0.2193 -0.0694 -1.4736 H 1 UNL11111111 0.1450 20 H -0.6960 0.4333 1.4470 H 1 UNL11111111 0.1429 21 H -2.3831 1.7048 -0.0090 H 1 UNL11111111 0.1462 22 H -2.1295 0.5352 -1.3046 H 1 UNL11111111 0.1431 23 H -2.8744 -1.3386 0.2647 H 1 UNL11111111 0.1380 24 H -3.1955 -0.1397 1.5209 H 1 UNL11111111 0.1341 25 H -5.3050 -0.6829 0.2763 H 1 UNL11111111 0.1407 26 H -4.8741 1.0066 -0.0077 H 1 UNL11111111 0.1420 27 H -4.5614 -0.2075 -1.2537 H 1 UNL11111111 0.1428 @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 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1