@MOLECULE hexanoyl cyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6297 1.3663 -0.7775 C.3 1 UNL11111111 -0.5641 2 C -5.0518 0.8587 -0.4222 C.3 1 UNL11111111 -0.3004 3 C -4.4781 0.1037 0.8053 C.3 1 UNL11111111 -0.5276 4 C -3.0568 0.6392 0.4745 C.3 1 UNL11111111 0.1887 5 C -2.0819 -0.4384 0.1232 C.2 1 UNL11111111 0.2760 6 O -2.2874 -1.5661 -0.2061 O.2 1 UNL11111111 -0.2618 7 O -0.8176 0.0997 0.2274 O.3 1 UNL11111111 -0.4516 8 C 0.3501 -0.5942 -0.0095 C.2 1 UNL11111111 0.4793 9 O 0.3811 -1.7547 -0.2811 O.2 1 UNL11111111 -0.3175 10 C 1.4823 0.3758 0.1497 C.3 1 UNL11111111 -0.3667 11 C 2.8195 -0.3501 -0.0215 C.3 1 UNL11111111 -0.3758 12 C 3.9858 0.6387 0.0771 C.3 1 UNL11111111 -0.3557 13 C 5.3261 -0.0921 -0.0810 C.3 1 UNL11111111 -0.1092 14 C 6.4950 0.8890 0.0040 C.3 1 UNL11111111 -0.8008 15 H -3.2461 1.0021 -1.7353 H 1 UNL11111111 0.2247 16 H -3.5095 2.4521 -0.7555 H 1 UNL11111111 0.2262 17 H -5.7677 1.6464 -0.1774 H 1 UNL11111111 0.1853 18 H -5.5041 0.2126 -1.1800 H 1 UNL11111111 0.1823 19 H -4.8679 0.4312 1.7716 H 1 UNL11111111 0.2018 20 H -4.5761 -0.9875 0.7489 H 1 UNL11111111 0.2404 21 H -2.6459 1.3277 1.2346 H 1 UNL11111111 0.1359 22 H 1.3781 1.1988 -0.5899 H 1 UNL11111111 0.1924 23 H 1.4234 0.8711 1.1426 H 1 UNL11111111 0.2286 24 H 2.9226 -1.1455 0.7437 H 1 UNL11111111 0.2145 25 H 2.8455 -0.8795 -0.9956 H 1 UNL11111111 0.1574 26 H 3.8917 1.4217 -0.6984 H 1 UNL11111111 0.1898 27 H 3.9595 1.1682 1.0477 H 1 UNL11111111 0.1611 28 H 5.4286 -0.8695 0.6999 H 1 UNL11111111 0.1193 29 H 5.3543 -0.6294 -1.0483 H 1 UNL11111111 0.1413 30 H 7.4551 0.3741 -0.1152 H 1 UNL11111111 0.2261 31 H 6.4348 1.6544 -0.7776 H 1 UNL11111111 0.2237 32 H 6.5174 1.4046 0.9705 H 1 UNL11111111 0.2364 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 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 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1