@MOLECULE (2S,3R)-2,3-diisopentyloxirane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7949 0.8994 -0.1355 C.3 1 UNL11111111 -0.0583 2 C 3.7535 1.3760 1.3211 C.3 1 UNL11111111 -0.4530 3 C 5.2513 0.7021 -0.5760 C.3 1 UNL11111111 -0.4569 4 C 3.0149 -0.4189 -0.3072 C.3 1 UNL11111111 -0.2828 5 C 1.5014 -0.1761 -0.2671 C.3 1 UNL11111111 -0.2973 6 C 0.7360 -1.4614 -0.4465 C.3 1 UNL11111111 0.0004 7 H 1.2347 -2.2254 -1.0512 H 1 UNL11111111 0.1481 8 O 0.1054 -1.9829 0.7287 O.3 1 UNL11111111 -0.3631 9 C -0.7542 -1.4943 -0.3081 C.3 1 UNL11111111 0.0015 10 H -1.3190 -2.2823 -0.8157 H 1 UNL11111111 0.1486 11 C -1.5301 -0.2456 0.0261 C.3 1 UNL11111111 -0.2977 12 C -3.0410 -0.4693 -0.1051 C.3 1 UNL11111111 -0.2841 13 C -3.8338 0.7963 0.2756 C.3 1 UNL11111111 -0.0565 14 C -3.6981 1.8772 -0.8034 C.3 1 UNL11111111 -0.4542 15 C -5.3132 0.4387 0.4700 C.3 1 UNL11111111 -0.4570 16 H 3.3303 1.6808 -0.7839 H 1 UNL11111111 0.1270 17 H 4.2916 2.3216 1.4447 H 1 UNL11111111 0.1409 18 H 2.7253 1.5345 1.6634 H 1 UNL11111111 0.1430 19 H 4.2133 0.6445 1.9948 H 1 UNL11111111 0.1475 20 H 5.7520 -0.0630 0.0269 H 1 UNL11111111 0.1465 21 H 5.3150 0.3928 -1.6242 H 1 UNL11111111 0.1404 22 H 5.8251 1.6291 -0.4713 H 1 UNL11111111 0.1421 23 H 3.2934 -0.8966 -1.2652 H 1 UNL11111111 0.1364 24 H 3.3053 -1.1368 0.4832 H 1 UNL11111111 0.1485 25 H 1.2228 0.2970 0.6983 H 1 UNL11111111 0.1616 26 H 1.2109 0.5462 -1.0561 H 1 UNL11111111 0.1465 27 H -1.2851 0.0780 1.0605 H 1 UNL11111111 0.1624 28 H -1.2116 0.5865 -0.6332 H 1 UNL11111111 0.1488 29 H -3.2970 -0.7757 -1.1356 H 1 UNL11111111 0.1388 30 H -3.3481 -1.3095 0.5476 H 1 UNL11111111 0.1444 31 H -3.4344 1.1959 1.2389 H 1 UNL11111111 0.1311 32 H -4.2511 2.7820 -0.5291 H 1 UNL11111111 0.1412 33 H -2.6526 2.1648 -0.9559 H 1 UNL11111111 0.1412 34 H -4.0892 1.5329 -1.7667 H 1 UNL11111111 0.1437 35 H -5.4448 -0.3018 1.2662 H 1 UNL11111111 0.1441 36 H -5.9012 1.3216 0.7423 H 1 UNL11111111 0.1424 37 H -5.7497 0.0228 -0.4440 H 1 UNL11111111 0.1439 @BOND 1 1 2 1 2 1 3 1 3 1 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 1 16 1 17 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 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