@MOLECULE (2S)-2-butoxy-1,1-dimethyl-cyclopropane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6813 -0.5915 -0.0987 C.3 1 UNL111 -0.4366 2 C 3.5374 0.4227 -0.0984 C.3 1 UNL111 -0.2464 3 C 2.2028 -0.2637 0.2071 C.3 1 UNL111 -0.2933 4 C 1.0551 0.7456 0.1244 C.3 1 UNL111 -0.0475 5 O -0.1016 -0.0281 0.4459 O.3 1 UNL111 -0.3750 6 C -1.2817 0.6958 0.2999 C.3 1 UNL111 0.0258 7 H -1.3623 1.5071 1.0180 H 1 UNL111 0.1412 8 C -1.8749 0.7950 -1.0902 C.3 1 UNL111 -0.4129 9 C -2.4741 -0.1734 -0.0794 C.3 1 UNL111 0.0487 10 C -2.2605 -1.6498 -0.2810 C.3 1 UNL111 -0.4345 11 C -3.8110 0.1663 0.5285 C.3 1 UNL111 -0.4464 12 H 5.6462 -0.1026 -0.2715 H 1 UNL111 0.1394 13 H 4.7474 -1.1221 0.8581 H 1 UNL111 0.1444 14 H 4.5487 -1.3432 -0.8857 H 1 UNL111 0.1438 15 H 3.7362 1.2156 0.6476 H 1 UNL111 0.1341 16 H 3.4886 0.9336 -1.0789 H 1 UNL111 0.1339 17 H 2.0186 -1.0972 -0.4973 H 1 UNL111 0.1511 18 H 2.2209 -0.7288 1.2118 H 1 UNL111 0.1530 19 H 1.1586 1.5595 0.8613 H 1 UNL111 0.1170 20 H 0.9484 1.1741 -0.8865 H 1 UNL111 0.1198 21 H -2.4234 1.6798 -1.3870 H 1 UNL111 0.1583 22 H -1.3192 0.3967 -1.9330 H 1 UNL111 0.1679 23 H -1.2584 -1.8667 -0.6786 H 1 UNL111 0.1619 24 H -2.3445 -2.1939 0.6690 H 1 UNL111 0.1527 25 H -2.9942 -2.0682 -0.9798 H 1 UNL111 0.1463 26 H -4.6312 -0.1501 -0.1289 H 1 UNL111 0.1536 27 H -3.9464 -0.3398 1.4933 H 1 UNL111 0.1541 28 H -3.9321 1.2409 0.7051 H 1 UNL111 0.1457 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 6 9 1 10 9 10 1 11 9 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 8 21 1 22 8 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 11 28 1