@MOLECULE (2R,3S)-2-(2,2-dimethylbutyl)-3-(1,1-dimethylpropyl)oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3595 2.2694 0.2492 C.3 1 UNL11111111 -0.4325 2 C 2.4782 1.1474 0.7948 C.3 1 UNL11111111 -0.2733 3 C 2.4388 -0.1031 -0.1146 C.3 1 UNL11111111 0.0912 4 C 2.0267 0.2520 -1.5467 C.3 1 UNL11111111 -0.4549 5 C 3.8240 -0.7774 -0.1566 C.3 1 UNL11111111 -0.4624 6 C 1.4770 -1.0979 0.5305 C.3 1 UNL11111111 -0.0387 7 H 1.9560 -1.6942 1.3212 H 1 UNL11111111 0.1449 8 O 0.6474 -1.8831 -0.3279 O.3 1 UNL11111111 -0.3608 9 C -0.0157 -0.9964 0.5824 C.3 1 UNL11111111 0.0143 10 H -0.5264 -1.5260 1.3984 H 1 UNL11111111 0.1485 11 C -0.8050 0.1278 -0.0285 C.3 1 UNL11111111 -0.3325 12 C -2.3405 -0.0210 0.1486 C.3 1 UNL11111111 0.1188 13 C -2.8039 -1.3432 -0.4743 C.3 1 UNL11111111 -0.4635 14 C -2.7020 0.0223 1.6397 C.3 1 UNL11111111 -0.4646 15 C -2.9906 1.1791 -0.5878 C.3 1 UNL11111111 -0.2774 16 C -4.5184 1.1667 -0.5590 C.3 1 UNL11111111 -0.4335 17 H 3.3859 3.1192 0.9406 H 1 UNL11111111 0.1374 18 H 4.3923 1.9359 0.1001 H 1 UNL11111111 0.1432 19 H 2.9908 2.6399 -0.7139 H 1 UNL11111111 0.1446 20 H 2.8335 0.8543 1.8016 H 1 UNL11111111 0.1358 21 H 1.4485 1.5284 0.9395 H 1 UNL11111111 0.1375 22 H 2.8662 0.6707 -2.1121 H 1 UNL11111111 0.1445 23 H 1.6794 -0.6402 -2.0867 H 1 UNL11111111 0.1640 24 H 1.2201 0.9906 -1.5714 H 1 UNL11111111 0.1437 25 H 4.1993 -1.0057 0.8453 H 1 UNL11111111 0.1418 26 H 3.7819 -1.7162 -0.7220 H 1 UNL11111111 0.1532 27 H 4.5644 -0.1350 -0.6441 H 1 UNL11111111 0.1476 28 H -0.4792 1.0930 0.4071 H 1 UNL11111111 0.1489 29 H -0.5793 0.1855 -1.1149 H 1 UNL11111111 0.1655 30 H -2.2385 -2.1958 -0.0801 H 1 UNL11111111 0.1520 31 H -3.8631 -1.5338 -0.2752 H 1 UNL11111111 0.1440 32 H -2.6628 -1.3426 -1.5611 H 1 UNL11111111 0.1485 33 H -2.3791 0.9603 2.1025 H 1 UNL11111111 0.1433 34 H -3.7840 -0.0634 1.7883 H 1 UNL11111111 0.1465 35 H -2.2393 -0.7994 2.1952 H 1 UNL11111111 0.1428 36 H -2.6234 2.1219 -0.1398 H 1 UNL11111111 0.1330 37 H -2.6483 1.1884 -1.6408 H 1 UNL11111111 0.1361 38 H -4.9273 2.0346 -1.0883 H 1 UNL11111111 0.1367 39 H -4.9233 0.2692 -1.0406 H 1 UNL11111111 0.1449 40 H -4.9053 1.1961 0.4650 H 1 UNL11111111 0.1410 @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 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 12 14 1 15 12 15 1 16 15 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1