@MOLECULE isopropoxycyclohexane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9803 1.1819 -0.5964 C.3 1 UNL111111111 -0.3005 2 C -2.4142 1.2160 -0.0611 C.3 1 UNL111111111 -0.2609 3 C -3.0627 -0.1714 -0.1624 C.3 1 UNL111111111 -0.2642 4 C -2.2407 -1.2107 0.6123 C.3 1 UNL111111111 -0.2599 5 C -0.8041 -1.2613 0.0841 C.3 1 UNL111111111 -0.3210 6 C -0.1606 0.1331 0.1730 C.3 1 UNL111111111 0.1331 7 O 1.0802 0.0940 -0.5168 O.3 1 UNL111111111 -0.4475 8 C 2.2096 -0.2375 0.2792 C.3 1 UNL111111111 0.1654 9 C 3.2103 -0.8067 -0.7295 C.3 1 UNL111111111 -0.4693 10 C 2.7352 1.0363 0.9470 C.3 1 UNL111111111 -0.4946 11 H -0.9674 0.9402 -1.6763 H 1 UNL111111111 0.1544 12 H -0.4990 2.1720 -0.5069 H 1 UNL111111111 0.1425 13 H -2.4195 1.5590 0.9905 H 1 UNL111111111 0.1340 14 H -3.0103 1.9552 -0.6271 H 1 UNL111111111 0.1335 15 H -4.0966 -0.1369 0.2251 H 1 UNL111111111 0.1290 16 H -3.1428 -0.4717 -1.2239 H 1 UNL111111111 0.1391 17 H -2.2412 -0.9657 1.6906 H 1 UNL111111111 0.1335 18 H -2.7110 -2.2075 0.5258 H 1 UNL111111111 0.1320 19 H -0.2041 -1.9953 0.6482 H 1 UNL111111111 0.1346 20 H -0.7868 -1.6047 -0.9677 H 1 UNL111111111 0.1545 21 H -0.0166 0.4406 1.2291 H 1 UNL111111111 0.1102 22 H 1.9317 -1.0012 1.0374 H 1 UNL111111111 0.1070 23 H 3.4084 -0.0850 -1.5322 H 1 UNL111111111 0.1602 24 H 4.1603 -1.0577 -0.2509 H 1 UNL111111111 0.1461 25 H 2.8109 -1.7093 -1.2071 H 1 UNL111111111 0.1542 26 H 1.9985 1.4576 1.6384 H 1 UNL111111111 0.1465 27 H 3.6551 0.8452 1.5060 H 1 UNL111111111 0.1476 28 H 2.9473 1.8072 0.1957 H 1 UNL111111111 0.1605 @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 1 9 8 9 1 10 8 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 10 28 1