@MOLECULE cyclohexyl hexanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.6052 -0.2411 0.3573 C.3 1 UNL111111111 -0.8043 2 C 5.3186 0.3420 -0.2264 C.3 1 UNL111111111 -0.0917 3 C 4.0854 -0.3883 0.3235 C.3 1 UNL111111111 -0.4074 4 C 2.8026 0.2234 -0.2490 C.3 1 UNL111111111 -0.4008 5 C 1.5663 -0.4828 0.3132 C.3 1 UNL111111111 -0.3304 6 C 0.3213 0.1499 -0.2339 C.2 1 UNL111111111 0.4031 7 O 0.2258 1.1589 -0.8836 O.2 1 UNL111111111 -0.4211 8 O -0.7514 -0.5992 0.1157 O.3 1 UNL111111111 -0.3791 9 C -2.0501 -0.1513 -0.3120 C.3 1 UNL111111111 0.2684 10 C -2.9222 -1.4034 -0.1625 C.3 1 UNL111111111 -0.4576 11 C -4.3842 -1.0418 -0.4450 C.3 1 UNL111111111 -0.3739 12 C -4.8552 0.0880 0.4815 C.3 1 UNL111111111 -0.3365 13 C -3.9656 1.3285 0.3219 C.3 1 UNL111111111 -0.3539 14 C -2.5019 0.9824 0.6129 C.3 1 UNL111111111 -0.4692 15 H 6.6267 -0.1524 1.4491 H 1 UNL111111111 0.2435 16 H 6.7132 -1.3029 0.1104 H 1 UNL111111111 0.2412 17 H 7.4886 0.2777 -0.0312 H 1 UNL111111111 0.2143 18 H 5.2549 1.4221 0.0068 H 1 UNL111111111 0.1198 19 H 5.3385 0.2723 -1.3307 H 1 UNL111111111 0.1166 20 H 4.1421 -1.4644 0.0747 H 1 UNL111111111 0.1971 21 H 4.0772 -0.3321 1.4280 H 1 UNL111111111 0.2009 22 H 2.7556 1.3076 -0.0205 H 1 UNL111111111 0.1879 23 H 2.8058 0.1619 -1.3554 H 1 UNL111111111 0.1819 24 H 1.5831 -1.5666 0.0710 H 1 UNL111111111 0.2226 25 H 1.5504 -0.4318 1.4229 H 1 UNL111111111 0.2178 26 H -1.9790 0.1836 -1.3693 H 1 UNL111111111 0.1034 27 H -2.5724 -2.1963 -0.8482 H 1 UNL111111111 0.1802 28 H -2.8127 -1.8182 0.8579 H 1 UNL111111111 0.2546 29 H -4.5035 -0.7373 -1.5020 H 1 UNL111111111 0.1885 30 H -5.0242 -1.9337 -0.3125 H 1 UNL111111111 0.1794 31 H -5.9074 0.3444 0.2619 H 1 UNL111111111 0.1483 32 H -4.8369 -0.2545 1.5330 H 1 UNL111111111 0.2069 33 H -4.0621 1.7360 -0.7027 H 1 UNL111111111 0.1824 34 H -4.3059 2.1320 1.0010 H 1 UNL111111111 0.1614 35 H -2.3746 0.6828 1.6695 H 1 UNL111111111 0.2328 36 H -1.8556 1.8696 0.4647 H 1 UNL111111111 0.1725 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 9 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 5 24 1 25 5 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1