@MOLECULE 3-methyl-2-ethyl-1-butene 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1059 0.2740 0.1603 C.3 1 UNL11111111111 -0.0865 2 C 0.3521 0.6519 0.2715 C.2 1 UNL11111111111 0.0533 3 C 1.3763 -0.4067 0.5610 C.3 1 UNL11111111111 -0.2733 4 C -1.4935 -0.9341 1.0196 C.3 1 UNL11111111111 -0.4493 5 C -1.4533 0.0118 -1.3135 C.3 1 UNL11111111111 -0.4441 6 C 1.6654 -1.2555 -0.6795 C.3 1 UNL11111111111 -0.4266 7 C 0.7239 1.9257 0.1050 C.2 1 UNL11111111111 -0.3996 8 H -1.7209 1.1460 0.5104 H 1 UNL11111111111 0.1397 9 H 2.3205 0.0581 0.9153 H 1 UNL11111111111 0.1434 10 H 1.0470 -1.0537 1.3983 H 1 UNL11111111111 0.1463 11 H -2.5719 -1.1217 0.9662 H 1 UNL11111111111 0.1437 12 H -0.9882 -1.8480 0.6888 H 1 UNL11111111111 0.1475 13 H -1.2400 -0.7706 2.0728 H 1 UNL11111111111 0.1440 14 H -2.5228 -0.1863 -1.4372 H 1 UNL11111111111 0.1426 15 H -1.1974 0.8751 -1.9384 H 1 UNL11111111111 0.1470 16 H -0.9071 -0.8511 -1.7084 H 1 UNL11111111111 0.1465 17 H 1.9162 -0.6242 -1.5404 H 1 UNL11111111111 0.1480 18 H 2.5083 -1.9333 -0.5069 H 1 UNL11111111111 0.1405 19 H 0.8001 -1.8668 -0.9589 H 1 UNL11111111111 0.1433 20 H 0.0370 2.7285 -0.1021 H 1 UNL11111111111 0.1462 21 H 1.7448 2.2632 0.1575 H 1 UNL11111111111 0.1473 @BOND 1 15 5 1 2 16 5 1 3 17 6 1 4 14 5 1 5 5 1 1 6 19 6 1 7 6 18 1 8 6 3 1 9 20 7 1 10 7 21 1 11 7 2 2 12 1 2 1 13 1 8 1 14 1 4 1 15 2 3 1 16 3 9 1 17 3 10 1 18 12 4 1 19 11 4 1 20 4 13 1