@MOLECULE 1-methyl-3-propylidyne-cyclobutane 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8453 -0.9038 -0.5632 C.3 1 UNL111 -0.2831 2 C -2.1259 -0.0190 -0.3940 C.3 1 UNL111 -0.0785 3 C -3.0883 -0.4912 0.6742 C.3 1 UNL111 -0.4517 4 C -1.2043 1.1741 0.0307 C.3 1 UNL111 -0.2813 5 C 0.0089 0.2844 -0.1596 C.1 1 UNL111 -0.0479 6 C 1.2744 0.4638 -0.0288 C.1 1 UNL111 -0.1410 7 C 2.6877 0.5509 0.0840 C.3 1 UNL111 -0.2166 8 C 3.3112 -0.8479 0.2345 C.3 1 UNL111 -0.4218 9 H -0.7822 -1.7550 0.1203 H 1 UNL111 0.1502 10 H -0.6695 -1.2635 -1.5801 H 1 UNL111 0.1462 11 H -2.6456 0.1634 -1.3477 H 1 UNL111 0.1334 12 H -2.5778 -0.6783 1.6274 H 1 UNL111 0.1499 13 H -3.8702 0.2541 0.8633 H 1 UNL111 0.1461 14 H -3.5838 -1.4242 0.3798 H 1 UNL111 0.1461 15 H -1.2414 2.0391 -0.6366 H 1 UNL111 0.1470 16 H -1.3503 1.5232 1.0568 H 1 UNL111 0.1509 17 H 3.1251 1.0632 -0.8060 H 1 UNL111 0.1561 18 H 2.9734 1.1827 0.9604 H 1 UNL111 0.1582 19 H 2.9275 -1.3570 1.1258 H 1 UNL111 0.1483 20 H 3.0764 -1.4785 -0.6303 H 1 UNL111 0.1479 21 H 4.3999 -0.7868 0.3225 H 1 UNL111 0.1415 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 1 5 1 6 5 6 3 7 6 7 1 8 7 8 1 9 1 9 1 10 1 10 1 11 2 11 1 12 3 12 1 13 3 13 1 14 3 14 1 15 4 15 1 16 4 16 1 17 7 17 1 18 7 18 1 19 8 19 1 20 8 20 1 21 8 21 1