@MOLECULE 2,2,6,6-tetramethyl-3-heptyne 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3841 1.1814 -0.0037 C.3 1 UNL111111111 -0.4529 2 C 2.4431 -0.0389 0.0001 C.3 1 UNL111111111 0.1586 3 C 2.6967 -0.8942 -1.2578 C.3 1 UNL111111111 -0.4535 4 C 2.6946 -0.8859 1.2640 C.3 1 UNL111111111 -0.4535 5 C 1.0715 0.4095 -0.0017 C.1 1 UNL111111111 -0.1469 6 C -0.0852 0.7702 -0.0023 C.1 1 UNL111111111 -0.0871 7 C -1.4605 1.1694 -0.0037 C.3 1 UNL111111111 -0.2700 8 C -2.4183 -0.0577 -0.0000 C.3 1 UNL111111111 0.1462 9 C -2.1742 -0.9000 1.2596 C.3 1 UNL111111111 -0.4670 10 C -3.8676 0.4542 -0.0027 C.3 1 UNL111111111 -0.4710 11 C -2.1737 -0.9103 -1.2527 C.3 1 UNL111111111 -0.4669 12 H 3.2174 1.8049 -0.8888 H 1 UNL111111111 0.1486 13 H 3.2184 1.8103 0.8775 H 1 UNL111111111 0.1486 14 H 4.4333 0.8717 -0.0033 H 1 UNL111111111 0.1453 15 H 3.7324 -1.2444 -1.2951 H 1 UNL111111111 0.1459 16 H 2.0432 -1.7729 -1.2765 H 1 UNL111111111 0.1476 17 H 2.5023 -0.3199 -2.1701 H 1 UNL111111111 0.1487 18 H 2.5003 -0.3052 2.1722 H 1 UNL111111111 0.1487 19 H 2.0392 -1.7631 1.2877 H 1 UNL111111111 0.1476 20 H 3.7295 -1.2377 1.3045 H 1 UNL111111111 0.1460 21 H -1.6814 1.8107 0.8805 H 1 UNL111111111 0.1595 22 H -1.6805 1.8047 -0.8923 H 1 UNL111111111 0.1595 23 H -2.3492 -0.3199 2.1710 H 1 UNL111111111 0.1442 24 H -2.8308 -1.7748 1.2890 H 1 UNL111111111 0.1439 25 H -1.1389 -1.2609 1.2967 H 1 UNL111111111 0.1534 26 H -4.0790 1.0583 -0.8905 H 1 UNL111111111 0.1440 27 H -4.5780 -0.3797 0.0021 H 1 UNL111111111 0.1471 28 H -4.0788 1.0683 0.8784 H 1 UNL111111111 0.1439 29 H -1.1387 -1.2722 -1.2871 H 1 UNL111111111 0.1534 30 H -2.8306 -1.7852 -1.2747 H 1 UNL111111111 0.1439 31 H -2.3487 -0.3379 -2.1690 H 1 UNL111111111 0.1442 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 3 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 7 21 1 21 7 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1