@MOLECULE ethane; 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.0068 -1.6408 0.0277 O.3 1 UNL111 -0.3559 2 C -0.7504 -0.6676 0.7551 C.3 1 UNL111 -0.0277 3 C 0.7496 -0.6595 0.7518 C.3 1 UNL111 -0.0248 4 C 1.7765 0.1754 0.0013 C.3 1 UNL111 0.1127 5 C -1.7791 0.1635 -0.0012 C.3 1 UNL111 0.1130 6 C 3.1028 -0.6188 0.0389 C.3 1 UNL111 -0.4632 7 C 1.9671 1.5039 0.7484 C.3 1 UNL111 -0.4678 8 C 1.4292 0.4249 -1.4665 C.3 1 UNL111 -0.4617 9 C -3.1486 -0.0498 0.6876 C.3 1 UNL111 -0.4664 10 C -1.8994 -0.3211 -1.4503 C.3 1 UNL111 -0.4579 11 C -1.4567 1.6602 0.0593 C.3 1 UNL111 -0.4662 12 H 1.1945 -1.0697 1.6791 H 1 UNL111 0.1410 13 H -1.1819 -1.0955 1.6796 H 1 UNL111 0.1426 14 H -1.2707 1.9854 1.0885 H 1 UNL111 0.1455 15 H -0.5725 1.9096 -0.5397 H 1 UNL111 0.1522 16 H -2.2864 2.2596 -0.3321 H 1 UNL111 0.1479 17 H -2.1942 -1.3775 -1.4868 H 1 UNL111 0.1552 18 H -0.9470 -0.2522 -1.9855 H 1 UNL111 0.1563 19 H -2.6415 0.2587 -2.0062 H 1 UNL111 0.1426 20 H -3.4312 -1.1079 0.6940 H 1 UNL111 0.1487 21 H -3.1379 0.3048 1.7227 H 1 UNL111 0.1427 22 H -3.9398 0.4945 0.1619 H 1 UNL111 0.1481 23 H 1.1539 -0.5152 -1.9645 H 1 UNL111 0.1615 24 H 0.5910 1.1219 -1.5788 H 1 UNL111 0.1485 25 H 2.2785 0.8512 -2.0112 H 1 UNL111 0.1450 26 H 2.3497 1.3447 1.7623 H 1 UNL111 0.1459 27 H 1.0259 2.0556 0.8386 H 1 UNL111 0.1493 28 H 2.6800 2.1505 0.2249 H 1 UNL111 0.1494 29 H 3.4588 -0.7731 1.0615 H 1 UNL111 0.1421 30 H 2.9779 -1.6051 -0.4238 H 1 UNL111 0.1547 31 H 3.8922 -0.0943 -0.5080 H 1 UNL111 0.1468 @BOND 1 25 8 1 2 19 10 1 3 18 10 1 4 23 8 1 5 24 8 1 6 17 10 1 7 8 4 1 8 10 5 1 9 15 11 1 10 31 6 1 11 30 6 1 12 16 11 1 13 5 11 1 14 5 9 1 15 5 2 1 16 4 6 1 17 4 7 1 18 4 3 1 19 1 3 1 20 1 2 1 21 6 29 1 22 11 14 1 23 22 9 1 24 28 7 1 25 9 20 1 26 9 21 1 27 7 27 1 28 7 26 1 29 3 2 1 30 3 12 1 31 2 13 1