@MOLECULE triprene 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.8275 0.1567 0.7843 S.3 1 UNL1111111111 -0.1361 2 O 5.0906 -2.2924 0.7641 O.3 1 UNL1111111111 -0.4192 3 O -3.9210 -1.3665 -1.1733 O.2 1 UNL1111111111 -0.4669 4 C 3.2195 0.9616 0.3152 C.3 1 UNL1111111111 -0.2638 5 C 3.5655 -0.4131 0.8938 C.3 1 UNL1111111111 -0.3401 6 C 2.0451 1.5864 1.0787 C.3 1 UNL1111111111 -0.2906 7 C 4.5905 -1.1769 0.0317 C.3 1 UNL1111111111 0.3155 8 C 1.6995 2.9882 0.5452 C.3 1 UNL1111111111 -0.0631 9 C 1.1454 2.9358 -0.8985 C.3 1 UNL1111111111 -0.3138 10 C 3.9925 -1.6317 -1.3045 C.3 1 UNL1111111111 -0.5037 11 C 5.8810 -0.3723 -0.1890 C.3 1 UNL1111111111 -0.4757 12 C 0.6976 3.6689 1.4850 C.3 1 UNL1111111111 -0.4600 13 C -0.1256 2.1584 -0.9698 C.2 1 UNL1111111111 -0.0602 14 C 4.1664 -3.2974 1.1165 C.3 1 UNL1111111111 -0.1923 15 C -0.1767 0.8690 -1.3307 C.2 1 UNL1111111111 -0.2613 16 C -1.4261 0.1099 -1.3802 C.2 1 UNL1111111111 0.2048 17 C -1.5688 -0.8312 -2.5209 C.3 1 UNL1111111111 -0.4754 18 C -2.3686 0.2635 -0.4228 C.2 1 UNL1111111111 -0.4032 19 C -3.6283 -0.4582 -0.4397 C.2 1 UNL1111111111 0.4614 20 C -6.2584 -0.9746 0.5702 C.3 1 UNL1111111111 -0.2777 21 C -6.3273 -2.0042 1.6833 C.3 1 UNL1111111111 -0.4340 22 H 2.9662 0.8663 -0.7575 H 1 UNL1111111111 0.1358 23 H 4.0999 1.6293 0.3653 H 1 UNL1111111111 0.1381 24 H 3.9726 -0.3039 1.9180 H 1 UNL1111111111 0.1539 25 H 2.6451 -1.0173 0.9989 H 1 UNL1111111111 0.1449 26 H 2.2941 1.6514 2.1549 H 1 UNL1111111111 0.1408 27 H 1.1571 0.9283 1.0159 H 1 UNL1111111111 0.1491 28 H 2.6356 3.5994 0.5237 H 1 UNL1111111111 0.1314 29 H 0.9829 3.9712 -1.2627 H 1 UNL1111111111 0.1474 30 H 1.9176 2.5105 -1.5710 H 1 UNL1111111111 0.1496 31 H 3.0005 -2.0759 -1.1799 H 1 UNL1111111111 0.1496 32 H 4.6386 -2.3827 -1.7757 H 1 UNL1111111111 0.1597 33 H 3.8950 -0.7956 -2.0033 H 1 UNL1111111111 0.1500 34 H 6.2819 -0.0073 0.7638 H 1 UNL1111111111 0.1571 35 H 6.6556 -1.0064 -0.6391 H 1 UNL1111111111 0.1596 36 H 5.7156 0.4832 -0.8474 H 1 UNL1111111111 0.1486 37 H -0.2111 3.0693 1.6110 H 1 UNL1111111111 0.1514 38 H 0.3962 4.6512 1.1064 H 1 UNL1111111111 0.1438 39 H 1.1289 3.8207 2.4810 H 1 UNL1111111111 0.1451 40 H -1.0246 2.7168 -0.7008 H 1 UNL1111111111 0.1499 41 H 3.4067 -2.9157 1.8045 H 1 UNL1111111111 0.1197 42 H 3.7044 -3.7462 0.2328 H 1 UNL1111111111 0.1204 43 H 4.7993 -4.0361 1.6268 H 1 UNL1111111111 0.1424 44 H 0.7200 0.3156 -1.6131 H 1 UNL1111111111 0.1667 45 H -0.7692 -0.7447 -3.2655 H 1 UNL1111111111 0.1557 46 H -2.5300 -0.6896 -3.0478 H 1 UNL1111111111 0.1854 47 H -1.5941 -1.8787 -2.1695 H 1 UNL1111111111 0.1854 48 H -2.1970 0.9491 0.4093 H 1 UNL1111111111 0.1835 49 H -6.1903 -1.4728 -0.4202 H 1 UNL1111111111 0.1766 50 H -7.1698 -0.3477 0.5476 H 1 UNL1111111111 0.1578 51 H -7.2057 -2.6529 1.5597 H 1 UNL1111111111 0.1483 52 H -6.4047 -1.5459 2.6778 H 1 UNL1111111111 0.1516 53 H -5.4479 -2.6633 1.6957 H 1 UNL1111111111 0.1562 @BOND 1 1 19 1 2 1 20 1 3 2 7 1 4 2 14 1 5 3 19 2 6 4 5 1 7 4 6 1 8 4 22 1 9 4 23 1 10 5 7 1 11 5 24 1 12 5 25 1 13 6 8 1 14 6 26 1 15 6 27 1 16 7 10 1 17 7 11 1 18 8 9 1 19 8 12 1 20 8 28 1 21 9 13 1 22 9 29 1 23 9 30 1 24 10 31 1 25 10 32 1 26 10 33 1 27 11 34 1 28 11 35 1 29 11 36 1 30 12 37 1 31 12 38 1 32 12 39 1 33 13 15 2 34 13 40 1 35 14 41 1 36 14 42 1 37 14 43 1 38 15 16 1 39 15 44 1 40 16 17 1 41 16 18 2 42 17 45 1 43 17 46 1 44 17 47 1 45 18 19 1 46 18 48 1 47 20 21 1 48 20 49 1 49 20 50 1 50 21 51 1 51 21 52 1 52 21 53 1