@MOLECULE (2-cyclobutylacetyl) 2,2-dimethylpentanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.0461 -0.3860 -0.2596 C.3 1 UNL11111111 -0.4400 2 C 4.8001 0.4996 -0.2137 C.3 1 UNL11111111 -0.2419 3 C 3.5394 -0.3610 -0.0793 C.3 1 UNL11111111 -0.2905 4 C 2.2390 0.4650 -0.0078 C.3 1 UNL11111111 0.0355 5 C 2.2207 1.3905 1.2116 C.3 1 UNL11111111 -0.4527 6 C 1.9998 1.2526 -1.2974 C.3 1 UNL11111111 -0.4511 7 C 1.0987 -0.5375 0.1603 C.2 1 UNL11111111 0.6021 8 O 1.1699 -1.7185 0.3106 O.2 1 UNL11111111 -0.4318 9 O -0.0945 0.1471 0.1432 O.3 1 UNL11111111 -0.5491 10 C -1.3348 -0.4536 0.1882 C.2 1 UNL11111111 0.6273 11 O -1.4950 -1.6341 0.1560 O.2 1 UNL11111111 -0.4145 12 C -2.3526 0.6472 0.2475 C.3 1 UNL11111111 -0.3635 13 C -3.7368 0.0754 0.5078 C.3 1 UNL11111111 -0.0895 14 C -4.8861 1.1213 0.4040 C.3 1 UNL11111111 -0.2907 15 C -5.5153 0.3167 -0.7638 C.3 1 UNL11111111 -0.2753 16 C -4.3629 -0.7159 -0.6782 C.3 1 UNL11111111 -0.2741 17 H 6.1464 -0.9855 0.6526 H 1 UNL11111111 0.1458 18 H 6.0144 -1.0803 -1.1072 H 1 UNL11111111 0.1457 19 H 6.9568 0.2141 -0.3601 H 1 UNL11111111 0.1386 20 H 4.8753 1.2079 0.6327 H 1 UNL11111111 0.1338 21 H 4.7471 1.1195 -1.1281 H 1 UNL11111111 0.1334 22 H 3.4797 -1.0712 -0.9292 H 1 UNL11111111 0.1547 23 H 3.6210 -1.0015 0.8231 H 1 UNL11111111 0.1574 24 H 2.9731 2.1825 1.1204 H 1 UNL11111111 0.1538 25 H 1.2463 1.8833 1.3273 H 1 UNL11111111 0.1603 26 H 2.4303 0.8447 2.1394 H 1 UNL11111111 0.1541 27 H 2.0000 0.5999 -2.1785 H 1 UNL11111111 0.1534 28 H 1.0367 1.7798 -1.2742 H 1 UNL11111111 0.1611 29 H 2.7767 2.0105 -1.4503 H 1 UNL11111111 0.1526 30 H -2.0797 1.3825 1.0356 H 1 UNL11111111 0.1797 31 H -2.3294 1.2225 -0.7044 H 1 UNL11111111 0.1821 32 H -3.7549 -0.4944 1.4534 H 1 UNL11111111 0.1480 33 H -5.5116 1.1897 1.2963 H 1 UNL11111111 0.1398 34 H -4.5680 2.1305 0.1375 H 1 UNL11111111 0.1375 35 H -6.5056 -0.0912 -0.5499 H 1 UNL11111111 0.1381 36 H -5.5706 0.8581 -1.7102 H 1 UNL11111111 0.1362 37 H -3.7348 -0.7807 -1.5689 H 1 UNL11111111 0.1447 38 H -4.6739 -1.7318 -0.4203 H 1 UNL11111111 0.1489 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 13 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 6 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1