@MOLECULE 5-decyne 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2128 -0.0751 0.1017 C.3 1 UNL1111111 -0.2575 2 C 3.0400 0.2416 -0.3174 C.3 1 UNL1111111 -0.2559 3 C -3.7151 -0.1827 -0.1826 C.3 1 UNL1111111 -0.2499 4 C 2.6532 -1.0578 0.4005 C.3 1 UNL1111111 -0.2490 5 C -1.6746 1.3145 -0.2925 C.3 1 UNL1111111 -0.2371 6 C 2.3529 1.4613 0.3297 C.3 1 UNL1111111 -0.2385 7 C -4.2422 -1.5628 0.2110 C.3 1 UNL1111111 -0.4389 8 C 3.2883 -2.2684 -0.2826 C.3 1 UNL1111111 -0.4399 9 C -0.2604 1.3842 -0.0713 C.1 1 UNL1111111 -0.1152 10 C 0.9360 1.4284 0.1162 C.1 1 UNL1111111 -0.1023 11 H -2.0103 -0.2638 1.1727 H 1 UNL1111111 0.1425 12 H -1.6619 -0.8593 -0.4514 H 1 UNL1111111 0.1430 13 H 2.7601 0.1808 -1.3862 H 1 UNL1111111 0.1434 14 H 4.1365 0.3769 -0.2941 H 1 UNL1111111 0.1347 15 H -3.9140 0.0055 -1.2547 H 1 UNL1111111 0.1339 16 H -4.2641 0.6028 0.3705 H 1 UNL1111111 0.1335 17 H 2.9619 -1.0129 1.4614 H 1 UNL1111111 0.1331 18 H 1.5503 -1.1636 0.4123 H 1 UNL1111111 0.1433 19 H -1.9146 1.5237 -1.3612 H 1 UNL1111111 0.1573 20 H -2.2045 2.1042 0.2891 H 1 UNL1111111 0.1570 21 H 2.7884 2.3987 -0.0893 H 1 UNL1111111 0.1554 22 H 2.5864 1.4914 1.4196 H 1 UNL1111111 0.1577 23 H -4.0839 -1.7637 1.2765 H 1 UNL1111111 0.1432 24 H -3.7418 -2.3585 -0.3522 H 1 UNL1111111 0.1435 25 H -5.3168 -1.6480 0.0165 H 1 UNL1111111 0.1389 26 H 4.3814 -2.1994 -0.2878 H 1 UNL1111111 0.1403 27 H 2.9577 -2.3591 -1.3235 H 1 UNL1111111 0.1431 28 H 3.0190 -3.1986 0.2297 H 1 UNL1111111 0.1406 @BOND 1 13 2 1 2 19 5 1 3 27 8 1 4 15 3 1 5 12 1 1 6 24 7 1 7 2 14 1 8 2 6 1 9 2 4 1 10 5 9 1 11 5 1 1 12 5 20 1 13 26 8 1 14 8 28 1 15 8 4 1 16 3 1 1 17 3 7 1 18 3 16 1 19 21 6 1 20 9 10 3 21 25 7 1 22 1 11 1 23 10 6 1 24 7 23 1 25 6 22 1 26 4 18 1 27 4 17 1