@MOLECULE isobutylethyne 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8406 -0.0305 0.3385 C.3 1 UNL1111111 -0.0436 2 C 0.2641 0.7820 -0.3827 C.3 1 UNL1111111 -0.2696 3 C -0.8782 -1.4683 -0.1870 C.3 1 UNL1111111 -0.4560 4 C -2.1975 0.6493 0.1278 C.3 1 UNL1111111 -0.4593 5 C 1.5704 0.2855 -0.0636 C.1 1 UNL1111111 -0.0463 6 C 2.6733 -0.1350 0.2057 C.1 1 UNL1111111 -0.2497 7 H -0.6087 -0.0497 1.4310 H 1 UNL1111111 0.1362 8 H 0.0901 0.7542 -1.4833 H 1 UNL1111111 0.1638 9 H 0.1800 1.8591 -0.1014 H 1 UNL1111111 0.1615 10 H -1.6278 -2.0664 0.3423 H 1 UNL1111111 0.1441 11 H -1.1195 -1.5036 -1.2543 H 1 UNL1111111 0.1453 12 H 0.0925 -1.9626 -0.0543 H 1 UNL1111111 0.1515 13 H -2.9977 0.0956 0.6327 H 1 UNL1111111 0.1476 14 H -2.2041 1.6690 0.5270 H 1 UNL1111111 0.1431 15 H -2.4609 0.7052 -0.9339 H 1 UNL1111111 0.1463 16 H 3.6082 -0.4904 0.4336 H 1 UNL1111111 0.1850 @BOND 1 8 2 1 2 11 3 1 3 15 4 1 4 2 9 1 5 2 5 1 6 2 1 1 7 3 12 1 8 3 1 1 9 3 10 1 10 5 6 3 11 4 1 1 12 4 14 1 13 4 13 1 14 6 16 1 15 1 7 1