@MOLECULE 4,5-dimethyloct-4-yne 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5886 0.3280 -0.0317 C.1 1 UNL11111111 -0.0362 2 C -0.5886 -0.3280 -0.0324 C.1 1 UNL11111111 -0.0362 3 C -0.6795 -1.8189 -0.0348 C.3 1 UNL11111111 -0.4428 4 C -1.8928 0.4216 -0.0301 C.3 1 UNL11111111 -0.2784 5 C -3.1593 -0.4451 0.0230 C.3 1 UNL11111111 -0.2429 6 C -4.4082 0.4378 0.0661 C.3 1 UNL11111111 -0.4425 7 C 0.6795 1.8189 -0.0341 C.3 1 UNL11111111 -0.4428 8 C 1.8928 -0.4216 -0.0277 C.3 1 UNL11111111 -0.2784 9 C 3.1594 0.4451 0.0220 C.3 1 UNL11111111 -0.2429 10 C 4.4082 -0.4378 0.0657 C.3 1 UNL11111111 -0.4425 11 H -1.1789 -2.1825 0.8750 H 1 UNL11111111 0.1537 12 H -1.2562 -2.1772 -0.8995 H 1 UNL11111111 0.1536 13 H 0.2929 -2.3226 -0.0810 H 1 UNL11111111 0.1475 14 H -1.9069 1.1179 0.8367 H 1 UNL11111111 0.1469 15 H -1.9413 1.0633 -0.9369 H 1 UNL11111111 0.1465 16 H -3.2029 -1.1126 -0.8577 H 1 UNL11111111 0.1348 17 H -3.1353 -1.1031 0.9117 H 1 UNL11111111 0.1355 18 H -5.3198 -0.1689 0.0950 H 1 UNL11111111 0.1402 19 H -4.4137 1.0819 0.9524 H 1 UNL11111111 0.1421 20 H -4.4720 1.0861 -0.8146 H 1 UNL11111111 0.1421 21 H 1.1798 2.1826 0.8751 H 1 UNL11111111 0.1537 22 H 1.2552 2.1773 -0.8995 H 1 UNL11111111 0.1536 23 H -0.2929 2.3227 -0.0790 H 1 UNL11111111 0.1475 24 H 1.9070 -1.1153 0.8413 H 1 UNL11111111 0.1469 25 H 1.9408 -1.0661 -0.9325 H 1 UNL11111111 0.1465 26 H 3.2019 1.1106 -0.8604 H 1 UNL11111111 0.1348 27 H 3.1364 1.1052 0.9091 H 1 UNL11111111 0.1355 28 H 4.4147 -1.0798 0.9534 H 1 UNL11111111 0.1421 29 H 4.4709 -1.0881 -0.8137 H 1 UNL11111111 0.1421 30 H 5.3199 0.1689 0.0920 H 1 UNL11111111 0.1402 @BOND 1 1 2 3 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 1 8 1 8 8 9 1 9 9 10 1 10 3 11 1 11 3 12 1 12 3 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1