@MOLECULE 5,5-dimethylhexanoyl 1-methylcyclopropanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.7581 -0.5678 -1.2457 C.3 1 UNL11111111 -0.2997 2 C -5.3683 -0.0716 0.0363 C.3 1 UNL11111111 -0.2963 3 C -3.9332 -0.5738 0.0325 C.3 1 UNL11111111 -0.0729 4 C -3.5846 -1.8708 0.7025 C.3 1 UNL11111111 -0.4201 5 C -2.8756 0.4751 0.1304 C.2 1 UNL11111111 0.6253 6 O -3.0219 1.6572 0.2207 O.2 1 UNL11111111 -0.4242 7 O -1.6433 -0.1320 0.0956 O.3 1 UNL11111111 -0.5404 8 C -0.4427 0.5499 0.1058 C.2 1 UNL11111111 0.6255 9 O -0.3606 1.7390 0.1184 O.2 1 UNL11111111 -0.4173 10 C 0.6473 -0.4793 0.0885 C.3 1 UNL11111111 -0.3483 11 C 2.0123 0.2119 0.0076 C.3 1 UNL11111111 -0.2517 12 C 3.1362 -0.8280 -0.0009 C.3 1 UNL11111111 -0.2986 13 C 4.5526 -0.2083 -0.0705 C.3 1 UNL11111111 0.1316 14 C 4.8160 0.6857 1.1502 C.3 1 UNL11111111 -0.4665 15 C 5.5735 -1.3629 -0.0729 C.3 1 UNL11111111 -0.4741 16 C 4.7276 0.6104 -1.3579 C.3 1 UNL11111111 -0.4665 17 H -5.0738 -1.5158 -1.6733 H 1 UNL11111111 0.1628 18 H -4.5203 0.1374 -2.0402 H 1 UNL11111111 0.1679 19 H -5.5593 0.9949 0.1669 H 1 UNL11111111 0.1786 20 H -6.1342 -0.6528 0.5420 H 1 UNL11111111 0.1619 21 H -4.4122 -2.5908 0.6693 H 1 UNL11111111 0.1514 22 H -2.7165 -2.3477 0.2215 H 1 UNL11111111 0.1646 23 H -3.3254 -1.7196 1.7604 H 1 UNL11111111 0.1583 24 H 0.5778 -1.1166 0.9959 H 1 UNL11111111 0.1781 25 H 0.5028 -1.1733 -0.7671 H 1 UNL11111111 0.1784 26 H 2.0636 0.8471 -0.8992 H 1 UNL11111111 0.1540 27 H 2.1353 0.9085 0.8610 H 1 UNL11111111 0.1556 28 H 3.0661 -1.4588 0.9057 H 1 UNL11111111 0.1374 29 H 3.0023 -1.5146 -0.8583 H 1 UNL11111111 0.1374 30 H 4.6445 0.1453 2.0866 H 1 UNL11111111 0.1435 31 H 5.8504 1.0451 1.1614 H 1 UNL11111111 0.1441 32 H 4.1677 1.5689 1.1522 H 1 UNL11111111 0.1501 33 H 5.4280 -2.0241 -0.9326 H 1 UNL11111111 0.1428 34 H 6.5997 -0.9839 -0.1224 H 1 UNL11111111 0.1468 35 H 5.4935 -1.9703 0.8337 H 1 UNL11111111 0.1429 36 H 4.0840 1.4969 -1.3637 H 1 UNL11111111 0.1499 37 H 5.7600 0.9597 -1.4670 H 1 UNL11111111 0.1442 38 H 4.4847 0.0177 -2.2453 H 1 UNL11111111 0.1433 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 3 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 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 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1