@MOLECULE 3,3-dimethylpentanoyl cyclobutanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6426 1.3336 -0.7194 C.3 1 UNL11111111 -0.2570 2 C -5.0465 0.7418 -0.4269 C.3 1 UNL11111111 -0.2698 3 C -4.4688 -0.0358 0.7848 C.3 1 UNL11111111 -0.2613 4 C -3.0669 0.5772 0.5136 C.3 1 UNL11111111 -0.2044 5 C -2.0312 -0.4350 0.1387 C.2 1 UNL11111111 0.6240 6 O -2.1744 -1.5666 -0.2113 O.2 1 UNL11111111 -0.4225 7 O -0.8031 0.1746 0.2515 O.3 1 UNL11111111 -0.5625 8 C 0.4091 -0.4412 -0.0073 C.2 1 UNL11111111 0.6434 9 O 0.4891 -1.5925 -0.3052 O.2 1 UNL11111111 -0.4247 10 C 1.4586 0.6102 0.1754 C.3 1 UNL11111111 -0.3850 11 C 2.9083 0.0864 -0.0084 C.3 1 UNL11111111 0.1355 12 C 3.1938 -1.0174 1.0148 C.3 1 UNL11111111 -0.4726 13 C 3.0843 -0.4505 -1.4323 C.3 1 UNL11111111 -0.4728 14 C 3.8419 1.3015 0.2324 C.3 1 UNL11111111 -0.2792 15 C 5.3278 0.9771 0.0865 C.3 1 UNL11111111 -0.4321 16 H -3.2156 1.0355 -1.6816 H 1 UNL11111111 0.1505 17 H -3.5777 2.4218 -0.6440 H 1 UNL11111111 0.1447 18 H -5.8070 1.4831 -0.1723 H 1 UNL11111111 0.1394 19 H -5.4441 0.1050 -1.2223 H 1 UNL11111111 0.1477 20 H -4.8977 0.2342 1.7522 H 1 UNL11111111 0.1433 21 H -4.5139 -1.1272 0.6828 H 1 UNL11111111 0.1642 22 H -2.7065 1.2467 1.3151 H 1 UNL11111111 0.1722 23 H 1.2643 1.4402 -0.5388 H 1 UNL11111111 0.1798 24 H 1.3467 1.0638 1.1846 H 1 UNL11111111 0.1802 25 H 2.5171 -1.8733 0.8822 H 1 UNL11111111 0.1686 26 H 4.2124 -1.4068 0.9072 H 1 UNL11111111 0.1507 27 H 3.0834 -0.6606 2.0427 H 1 UNL11111111 0.1422 28 H 2.9019 0.3213 -2.1855 H 1 UNL11111111 0.1420 29 H 4.0976 -0.8354 -1.5912 H 1 UNL11111111 0.1504 30 H 2.3981 -1.2851 -1.6349 H 1 UNL11111111 0.1697 31 H 3.5771 2.1110 -0.4746 H 1 UNL11111111 0.1339 32 H 3.6582 1.7081 1.2455 H 1 UNL11111111 0.1340 33 H 5.9413 1.8694 0.2547 H 1 UNL11111111 0.1372 34 H 5.6505 0.2192 0.8091 H 1 UNL11111111 0.1449 35 H 5.5657 0.6021 -0.9151 H 1 UNL11111111 0.1452 @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 11 13 1 14 11 14 1 15 14 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 10 23 1 24 10 24 1 25 12 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1