@MOLECULE (2S,3R)-2-butyl-3-(2,2-dimethylpropyl)oxirane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5340 0.5401 -0.0015 C.3 1 UNL11111111 -0.4391 2 C 4.0653 0.9051 -0.2186 C.3 1 UNL11111111 -0.2495 3 C 3.1505 -0.2537 0.1997 C.3 1 UNL11111111 -0.2656 4 C 1.6755 0.1308 0.0314 C.3 1 UNL11111111 -0.2983 5 C 0.7676 -1.0089 0.4172 C.3 1 UNL11111111 -0.0031 6 H 1.2109 -1.7628 1.0757 H 1 UNL11111111 0.1489 7 O -0.0156 -1.5677 -0.6438 O.3 1 UNL11111111 -0.3663 8 C -0.7215 -0.8604 0.3831 C.3 1 UNL11111111 0.0094 9 H -1.3333 -1.5100 1.0174 H 1 UNL11111111 0.1499 10 C -1.3599 0.4373 -0.0342 C.3 1 UNL11111111 -0.3276 11 C -2.9062 0.4057 -0.0081 C.3 1 UNL11111111 0.1358 12 C -3.4155 0.2096 1.4281 C.3 1 UNL11111111 -0.4676 13 C -3.4198 1.7570 -0.5390 C.3 1 UNL11111111 -0.4692 14 C -3.4299 -0.7202 -0.9091 C.3 1 UNL11111111 -0.4655 15 H 6.1956 1.3646 -0.2881 H 1 UNL11111111 0.1395 16 H 5.7381 0.3040 1.0487 H 1 UNL11111111 0.1415 17 H 5.8211 -0.3337 -0.5976 H 1 UNL11111111 0.1446 18 H 3.8129 1.8152 0.3573 H 1 UNL11111111 0.1323 19 H 3.8929 1.1600 -1.2816 H 1 UNL11111111 0.1361 20 H 3.3780 -1.1528 -0.4050 H 1 UNL11111111 0.1448 21 H 3.3552 -0.5335 1.2500 H 1 UNL11111111 0.1361 22 H 1.4439 1.0252 0.6433 H 1 UNL11111111 0.1468 23 H 1.4806 0.4258 -1.0213 H 1 UNL11111111 0.1615 24 H -0.9994 1.2551 0.6211 H 1 UNL11111111 0.1488 25 H -1.0219 0.6999 -1.0596 H 1 UNL11111111 0.1632 26 H -3.0153 0.9736 2.1022 H 1 UNL11111111 0.1435 27 H -4.5083 0.2724 1.4711 H 1 UNL11111111 0.1463 28 H -3.1332 -0.7683 1.8302 H 1 UNL11111111 0.1436 29 H -3.0828 1.9383 -1.5647 H 1 UNL11111111 0.1459 30 H -4.5143 1.7877 -0.5458 H 1 UNL11111111 0.1464 31 H -3.0718 2.5901 0.0789 H 1 UNL11111111 0.1422 32 H -3.0700 -1.7017 -0.5807 H 1 UNL11111111 0.1507 33 H -4.5237 -0.7532 -0.9142 H 1 UNL11111111 0.1439 34 H -3.0951 -0.5900 -1.9445 H 1 UNL11111111 0.1502 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 8 9 1 9 5 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 10 24 1 25 10 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1