@MOLECULE 3,3-dimethylbutyl hexanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.8999 -0.6147 -0.0080 C.3 1 UNL11111111 -0.4428 2 C 5.6618 0.2816 0.0004 C.3 1 UNL11111111 -0.2480 3 C 4.3785 -0.5604 -0.0007 C.3 1 UNL11111111 -0.2699 4 C 3.1421 0.3444 -0.0027 C.3 1 UNL11111111 -0.2573 5 C 1.8602 -0.4921 0.0099 C.3 1 UNL11111111 -0.3508 6 C 0.6601 0.4055 0.0043 C.2 1 UNL11111111 0.6112 7 O 0.6264 1.6088 -0.0027 O.2 1 UNL11111111 -0.5147 8 O -0.4657 -0.3505 0.0082 O.3 1 UNL11111111 -0.4510 9 C -1.7116 0.3651 0.0064 C.3 1 UNL11111111 -0.0024 10 C -2.7608 -0.7425 -0.0114 C.3 1 UNL11111111 -0.3295 11 C -4.2064 -0.2001 -0.0026 C.3 1 UNL11111111 0.1347 12 C -4.4680 0.6635 -1.2457 C.3 1 UNL11111111 -0.4678 13 C -5.1634 -1.4067 -0.0200 C.3 1 UNL11111111 -0.4681 14 C -4.4681 0.6278 1.2643 C.3 1 UNL11111111 -0.4677 15 H 6.9446 -1.2451 0.8869 H 1 UNL11111111 0.1418 16 H 6.9101 -1.2780 -0.8798 H 1 UNL11111111 0.1420 17 H 7.8202 -0.0207 -0.0370 H 1 UNL11111111 0.1415 18 H 5.6804 0.9423 0.8881 H 1 UNL11111111 0.1362 19 H 5.6756 0.9538 -0.8785 H 1 UNL11111111 0.1363 20 H 4.3666 -1.2269 -0.8833 H 1 UNL11111111 0.1369 21 H 4.3655 -1.2250 0.8832 H 1 UNL11111111 0.1369 22 H 3.1596 1.0259 0.8714 H 1 UNL11111111 0.1531 23 H 3.1522 1.0116 -0.8878 H 1 UNL11111111 0.1531 24 H 1.8234 -1.1760 -0.8649 H 1 UNL11111111 0.1768 25 H 1.8299 -1.1568 0.8998 H 1 UNL11111111 0.1768 26 H -1.7526 0.9901 0.9147 H 1 UNL11111111 0.1350 27 H -1.7426 1.0106 -0.8877 H 1 UNL11111111 0.1356 28 H -2.6049 -1.3827 -0.9019 H 1 UNL11111111 0.1538 29 H -2.6049 -1.4102 0.8591 H 1 UNL11111111 0.1541 30 H -4.2298 0.1206 -2.1662 H 1 UNL11111111 0.1460 31 H -5.5195 0.9650 -1.3041 H 1 UNL11111111 0.1466 32 H -3.8703 1.5810 -1.2368 H 1 UNL11111111 0.1469 33 H -5.0125 -2.0505 0.8524 H 1 UNL11111111 0.1446 34 H -6.2095 -1.0838 -0.0120 H 1 UNL11111111 0.1460 35 H -5.0167 -2.0205 -0.9145 H 1 UNL11111111 0.1446 36 H -3.8674 1.5431 1.2835 H 1 UNL11111111 0.1469 37 H -5.5189 0.9311 1.3273 H 1 UNL11111111 0.1466 38 H -4.2352 0.0581 2.1700 H 1 UNL11111111 0.1460 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 14 38 1