@MOLECULE 2-methoxypentane 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.1784 1.3572 -0.1110 C.3 1 UNL11111111 -0.1991 2 O 1.0715 0.6707 0.4343 O.3 1 UNL11111111 -0.3953 3 C 0.6545 -0.4605 -0.3232 C.3 1 UNL11111111 0.1306 4 H 0.6902 -0.2244 -1.4080 H 1 UNL11111111 0.1117 5 C 1.5493 -1.6565 0.0108 C.3 1 UNL11111111 -0.4972 6 C -0.7910 -0.6906 0.1475 C.3 1 UNL11111111 -0.3035 7 C -1.6988 0.4530 -0.3198 C.3 1 UNL11111111 -0.2467 8 C -3.1418 0.2231 0.1278 C.3 1 UNL11111111 -0.4389 9 H 2.3325 2.1796 0.5994 H 1 UNL11111111 0.1436 10 H 3.0641 0.7165 -0.1452 H 1 UNL11111111 0.1197 11 H 1.9449 1.7538 -1.1039 H 1 UNL11111111 0.1177 12 H 1.1336 -2.5911 -0.3770 H 1 UNL11111111 0.1492 13 H 2.5529 -1.5362 -0.4085 H 1 UNL11111111 0.1468 14 H 1.6624 -1.7626 1.0973 H 1 UNL11111111 0.1619 15 H -1.1614 -1.6590 -0.2306 H 1 UNL11111111 0.1412 16 H -0.8104 -0.7587 1.2531 H 1 UNL11111111 0.1548 17 H -1.3193 1.4117 0.0887 H 1 UNL11111111 0.1498 18 H -1.6539 0.5549 -1.4198 H 1 UNL11111111 0.1292 19 H -3.7800 1.0704 -0.1463 H 1 UNL11111111 0.1405 20 H -3.5665 -0.6751 -0.3334 H 1 UNL11111111 0.1400 21 H -3.2078 0.0999 1.2148 H 1 UNL11111111 0.1441 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 5 12 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1