@MOLECULE ethyl cyclohexyl ketone 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7376 -0.3652 0.0541 C.3 1 UNL11111111111 -0.4148 2 C 2.3883 -0.4322 0.7597 C.3 1 UNL11111111111 -0.3654 3 C 1.3138 0.2526 -0.0509 C.2 1 UNL11111111111 0.4562 4 O 1.5696 0.9536 -0.9960 O.2 1 UNL11111111111 -0.4507 5 C -0.1173 0.0039 0.3929 C.3 1 UNL11111111111 -0.2185 6 C -0.9545 1.2731 0.1763 C.3 1 UNL11111111111 -0.2589 7 C -2.4190 1.0159 0.5471 C.3 1 UNL11111111111 -0.2626 8 C -2.9839 -0.1486 -0.2770 C.3 1 UNL11111111111 -0.2628 9 C -2.1451 -1.4163 -0.0688 C.3 1 UNL11111111111 -0.2598 10 C -0.6797 -1.1595 -0.4423 C.3 1 UNL11111111111 -0.2607 11 H 4.0183 0.6747 -0.1636 H 1 UNL11111111111 0.1599 12 H 4.5337 -0.8108 0.6580 H 1 UNL11111111111 0.1388 13 H 3.7117 -0.8864 -0.9110 H 1 UNL11111111111 0.1513 14 H 2.1065 -1.4851 0.9557 H 1 UNL11111111111 0.1584 15 H 2.4517 0.0517 1.7560 H 1 UNL11111111111 0.1634 16 H -0.1477 -0.2721 1.4721 H 1 UNL11111111111 0.1490 17 H -0.5453 2.1080 0.7730 H 1 UNL11111111111 0.1347 18 H -0.8770 1.5960 -0.8821 H 1 UNL11111111111 0.1596 19 H -2.5060 0.7933 1.6265 H 1 UNL11111111111 0.1333 20 H -3.0178 1.9290 0.3742 H 1 UNL11111111111 0.1327 21 H -4.0355 -0.3382 0.0025 H 1 UNL11111111111 0.1284 22 H -2.9958 0.1224 -1.3498 H 1 UNL11111111111 0.1400 23 H -2.2177 -1.7504 0.9824 H 1 UNL11111111111 0.1343 24 H -2.5508 -2.2434 -0.6794 H 1 UNL11111111111 0.1319 25 H -0.6021 -0.9188 -1.5215 H 1 UNL11111111111 0.1523 26 H -0.0799 -2.0737 -0.2856 H 1 UNL11111111111 0.1301 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 5 10 1 11 1 11 1 12 1 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 5 16 1 17 6 17 1 18 6 18 1 19 7 19 1 20 7 20 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1