@MOLECULE (2S)-2-[(E)-3,3-dimethylhex-1-enyl]-1,1-dimethyl-cyclobutane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7712 1.8151 0.1681 C.3 1 UNL11111111 -0.4416 2 C 4.0437 0.5210 -0.2009 C.3 1 UNL11111111 -0.2470 3 C 2.5900 0.5657 0.2844 C.3 1 UNL11111111 -0.2908 4 C 1.7978 -0.7412 0.0248 C.3 1 UNL11111111 0.1009 5 C 1.7708 -1.0568 -1.4772 C.3 1 UNL11111111 -0.4590 6 C 2.4241 -1.9275 0.7811 C.3 1 UNL11111111 -0.4567 7 C 0.4167 -0.5309 0.5962 C.2 1 UNL11111111 -0.1973 8 C -0.7312 -0.6985 -0.0650 C.2 1 UNL11111111 -0.1609 9 C -2.0529 -0.4611 0.5662 C.3 1 UNL11111111 -0.1509 10 H -1.9768 -0.3952 1.6661 H 1 UNL11111111 0.1422 11 C -2.8800 0.7431 -0.0361 C.3 1 UNL11111111 0.1040 12 C -3.3241 1.7349 1.0281 C.3 1 UNL11111111 -0.4665 13 C -2.2232 1.4623 -1.2011 C.3 1 UNL11111111 -0.4601 14 C -3.9963 -0.2626 -0.4639 C.3 1 UNL11111111 -0.3107 15 C -3.1757 -1.4409 0.1119 C.3 1 UNL11111111 -0.2827 16 H 5.8043 1.8064 -0.1952 H 1 UNL11111111 0.1389 17 H 4.2758 2.6902 -0.2667 H 1 UNL11111111 0.1424 18 H 4.8045 1.9601 1.2535 H 1 UNL11111111 0.1417 19 H 4.0785 0.3710 -1.2961 H 1 UNL11111111 0.1341 20 H 4.5690 -0.3453 0.2428 H 1 UNL11111111 0.1344 21 H 2.5743 0.7921 1.3675 H 1 UNL11111111 0.1378 22 H 2.0621 1.4052 -0.2071 H 1 UNL11111111 0.1408 23 H 2.7778 -1.2461 -1.8632 H 1 UNL11111111 0.1446 24 H 1.1740 -1.9518 -1.6849 H 1 UNL11111111 0.1461 25 H 1.3481 -0.2254 -2.0512 H 1 UNL11111111 0.1459 26 H 2.5636 -1.6972 1.8419 H 1 UNL11111111 0.1438 27 H 1.7835 -2.8143 0.7142 H 1 UNL11111111 0.1484 28 H 3.4009 -2.1955 0.3679 H 1 UNL11111111 0.1433 29 H 0.4223 -0.2246 1.6426 H 1 UNL11111111 0.1434 30 H -0.7681 -1.0119 -1.1066 H 1 UNL11111111 0.1487 31 H -2.4682 2.2906 1.4297 H 1 UNL11111111 0.1497 32 H -4.0320 2.4658 0.6207 H 1 UNL11111111 0.1465 33 H -3.8187 1.2370 1.8696 H 1 UNL11111111 0.1458 34 H -1.9619 0.7737 -2.0128 H 1 UNL11111111 0.1478 35 H -2.8859 2.2269 -1.6215 H 1 UNL11111111 0.1448 36 H -1.2968 1.9588 -0.8861 H 1 UNL11111111 0.1525 37 H -4.9601 -0.1000 0.0215 H 1 UNL11111111 0.1387 38 H -4.1682 -0.3128 -1.5405 H 1 UNL11111111 0.1400 39 H -2.8603 -2.1786 -0.6293 H 1 UNL11111111 0.1403 40 H -3.6588 -1.9745 0.9328 H 1 UNL11111111 0.1367 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 5 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 6 28 1 29 7 29 1 30 8 30 1 31 12 31 1 32 12 32 1 33 12 33 1 34 13 34 1 35 13 35 1 36 13 36 1 37 14 37 1 38 14 38 1 39 15 39 1 40 15 40 1