@MOLECULE 1-cyclohexyl-3,3-dimethyl-1-butanone 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6768 -1.1722 0.4240 C.3 1 UNL11111111 -0.2594 2 C -3.1207 -1.4631 -0.0062 C.3 1 UNL11111111 -0.2599 3 C -4.0005 -0.2211 0.1889 C.3 1 UNL11111111 -0.2638 4 C -3.4371 0.9662 -0.6033 C.3 1 UNL11111111 -0.2640 5 C -1.9926 1.2575 -0.1810 C.3 1 UNL11111111 -0.2570 6 C -1.1156 0.0127 -0.3804 C.3 1 UNL11111111 -0.2194 7 C 0.2971 0.2954 0.1135 C.2 1 UNL11111111 0.4693 8 O 0.4875 1.0442 1.0371 O.2 1 UNL11111111 -0.4602 9 C 1.3905 -0.4318 -0.6243 C.3 1 UNL11111111 -0.4183 10 C 2.8275 -0.1448 -0.1299 C.3 1 UNL11111111 0.1636 11 C 2.9867 -0.5733 1.3341 C.3 1 UNL11111111 -0.4721 12 C 3.7991 -0.9673 -1.0003 C.3 1 UNL11111111 -0.4755 13 C 3.1548 1.3460 -0.2845 C.3 1 UNL11111111 -0.4721 14 H -1.6456 -0.9389 1.5068 H 1 UNL11111111 0.1511 15 H -1.0491 -2.0699 0.2816 H 1 UNL11111111 0.1294 16 H -3.1450 -1.7805 -1.0651 H 1 UNL11111111 0.1343 17 H -3.5255 -2.3111 0.5755 H 1 UNL11111111 0.1310 18 H -5.0370 -0.4343 -0.1283 H 1 UNL11111111 0.1284 19 H -4.0557 0.0369 1.2634 H 1 UNL11111111 0.1396 20 H -3.4814 0.7530 -1.6872 H 1 UNL11111111 0.1331 21 H -4.0650 1.8615 -0.4426 H 1 UNL11111111 0.1321 22 H -1.5853 2.1075 -0.7575 H 1 UNL11111111 0.1352 23 H -1.9589 1.5739 0.8818 H 1 UNL11111111 0.1592 24 H -1.1017 -0.2524 -1.4624 H 1 UNL11111111 0.1489 25 H 1.1965 -1.5228 -0.5620 H 1 UNL11111111 0.1659 26 H 1.3246 -0.1791 -1.7029 H 1 UNL11111111 0.1655 27 H 2.7492 -1.6309 1.4760 H 1 UNL11111111 0.1386 28 H 4.0104 -0.4108 1.6859 H 1 UNL11111111 0.1436 29 H 2.3248 0.0083 1.9911 H 1 UNL11111111 0.1702 30 H 3.7269 -0.6901 -2.0560 H 1 UNL11111111 0.1417 31 H 4.8366 -0.8020 -0.6903 H 1 UNL11111111 0.1474 32 H 3.6024 -2.0404 -0.9191 H 1 UNL11111111 0.1417 33 H 2.5179 1.9603 0.3678 H 1 UNL11111111 0.1702 34 H 4.1929 1.5563 -0.0096 H 1 UNL11111111 0.1432 35 H 3.0062 1.6894 -1.3119 H 1 UNL11111111 0.1389 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 6 24 1 25 9 25 1 26 9 26 1 27 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 13 35 1