@MOLECULE 3,3-dimethyl-4-nonyne 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -5.0832 1.0577 -0.2843 C.3 1 UNL111111111 -0.4388 2 C -4.2230 -0.1204 0.1740 C.3 1 UNL111111111 -0.2521 3 C -2.7336 0.1799 -0.0327 C.3 1 UNL111111111 -0.2566 4 C -1.8692 -1.0089 0.4324 C.3 1 UNL111111111 -0.2382 5 C -0.4781 -0.7356 0.2234 C.1 1 UNL111111111 -0.1051 6 C 0.6966 -0.4999 0.0435 C.1 1 UNL111111111 -0.1342 7 C 2.0977 -0.2238 -0.1806 C.3 1 UNL111111111 0.1357 8 C 2.9194 -1.4442 0.2777 C.3 1 UNL111111111 -0.4505 9 C 2.3130 0.0158 -1.6878 C.3 1 UNL111111111 -0.4502 10 C 2.4741 1.0379 0.6419 C.3 1 UNL111111111 -0.2650 11 C 3.9350 1.4538 0.4906 C.3 1 UNL111111111 -0.4332 12 H -4.9301 1.2766 -1.3471 H 1 UNL111111111 0.1433 13 H -6.1491 0.8498 -0.1413 H 1 UNL111111111 0.1395 14 H -4.8475 1.9690 0.2765 H 1 UNL111111111 0.1431 15 H -4.4223 -0.3403 1.2401 H 1 UNL111111111 0.1339 16 H -4.5069 -1.0329 -0.3839 H 1 UNL111111111 0.1340 17 H -2.5302 0.3971 -1.0981 H 1 UNL111111111 0.1432 18 H -2.4452 1.0922 0.5221 H 1 UNL111111111 0.1431 19 H -2.0693 -1.2229 1.5082 H 1 UNL111111111 0.1575 20 H -2.1722 -1.9331 -0.1130 H 1 UNL111111111 0.1573 21 H 2.5773 -2.3576 -0.2219 H 1 UNL111111111 0.1483 22 H 3.9816 -1.3172 0.0484 H 1 UNL111111111 0.1473 23 H 2.8233 -1.6023 1.3571 H 1 UNL111111111 0.1480 24 H 1.7802 0.9109 -2.0260 H 1 UNL111111111 0.1482 25 H 3.3732 0.1468 -1.9223 H 1 UNL111111111 0.1469 26 H 1.9437 -0.8313 -2.2764 H 1 UNL111111111 0.1484 27 H 1.8140 1.8733 0.3375 H 1 UNL111111111 0.1405 28 H 2.2479 0.8501 1.7095 H 1 UNL111111111 0.1403 29 H 4.1527 2.3422 1.0946 H 1 UNL111111111 0.1394 30 H 4.6171 0.6612 0.8172 H 1 UNL111111111 0.1431 31 H 4.1810 1.6962 -0.5492 H 1 UNL111111111 0.1432 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 3 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 8 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1