@MOLECULE (2R,3S)-2-(3,3-dimethylbutyl)-3-pentyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -6.1958 1.7181 0.1585 C.3 1 UNL11111111 -0.4415 2 C -5.4123 0.4243 -0.0636 C.3 1 UNL11111111 -0.2499 3 C -3.9028 0.6725 0.0591 C.3 1 UNL11111111 -0.2705 4 C -3.1153 -0.6205 -0.1880 C.3 1 UNL11111111 -0.2687 5 C -1.6065 -0.3522 -0.1196 C.3 1 UNL11111111 -0.2965 6 C -0.8150 -1.6150 -0.3464 C.3 1 UNL11111111 0.0007 7 H -1.3423 -2.4120 -0.8801 H 1 UNL11111111 0.1480 8 O -0.0549 -2.0828 0.7738 O.3 1 UNL11111111 -0.3636 9 C 0.6818 -1.6007 -0.3559 C.3 1 UNL11111111 -0.0000 10 H 1.2187 -2.3877 -0.8950 H 1 UNL11111111 0.1483 11 C 1.4478 -0.3204 -0.1424 C.3 1 UNL11111111 -0.2949 12 C 2.9596 -0.5638 -0.2073 C.3 1 UNL11111111 -0.2939 13 C 3.8010 0.7142 0.0190 C.3 1 UNL11111111 0.1312 14 C 3.5342 1.3013 1.4128 C.3 1 UNL11111111 -0.4647 15 C 5.2886 0.3240 -0.0825 C.3 1 UNL11111111 -0.4698 16 C 3.4893 1.7682 -1.0547 C.3 1 UNL11111111 -0.4659 17 H -5.9257 2.4825 -0.5783 H 1 UNL11111111 0.1413 18 H -7.2750 1.5486 0.0759 H 1 UNL11111111 0.1406 19 H -6.0038 2.1367 1.1527 H 1 UNL11111111 0.1434 20 H -5.7317 -0.3414 0.6686 H 1 UNL11111111 0.1360 21 H -5.6487 0.0078 -1.0608 H 1 UNL11111111 0.1327 22 H -3.5904 1.4512 -0.6613 H 1 UNL11111111 0.1354 23 H -3.6678 1.0743 1.0627 H 1 UNL11111111 0.1389 24 H -3.3969 -1.3858 0.5608 H 1 UNL11111111 0.1449 25 H -3.3836 -1.0436 -1.1741 H 1 UNL11111111 0.1360 26 H -1.3233 0.4124 -0.8703 H 1 UNL11111111 0.1474 27 H -1.3460 0.0813 0.8693 H 1 UNL11111111 0.1620 28 H 1.1480 0.4275 -0.9032 H 1 UNL11111111 0.1487 29 H 1.1767 0.1180 0.8415 H 1 UNL11111111 0.1631 30 H 3.2420 -1.3216 0.5499 H 1 UNL11111111 0.1463 31 H 3.2253 -1.0019 -1.1881 H 1 UNL11111111 0.1372 32 H 3.6746 0.5477 2.1954 H 1 UNL11111111 0.1481 33 H 4.2126 2.1331 1.6293 H 1 UNL11111111 0.1436 34 H 2.5127 1.6842 1.5025 H 1 UNL11111111 0.1440 35 H 5.5339 -0.0618 -1.0768 H 1 UNL11111111 0.1426 36 H 5.9383 1.1848 0.1044 H 1 UNL11111111 0.1441 37 H 5.5497 -0.4490 0.6474 H 1 UNL11111111 0.1458 38 H 2.4608 2.1344 -0.9757 H 1 UNL11111111 0.1433 39 H 4.1506 2.6360 -0.9600 H 1 UNL11111111 0.1435 40 H 3.6211 1.3613 -2.0621 H 1 UNL11111111 0.1431 @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 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 14 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1