@MOLECULE 2,2-dimethylpropanoyl 3,3-dimethylpentanoate 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5234 0.4334 0.2388 C.3 1 UNL11111111 -0.4576 2 C 3.3010 -0.4667 0.0369 C.3 1 UNL11111111 0.0556 3 C 3.4818 -1.3607 -1.1947 C.3 1 UNL11111111 -0.4563 4 C 3.0485 -1.3076 1.2895 C.3 1 UNL11111111 -0.4491 5 C 2.1075 0.4354 -0.2489 C.2 1 UNL11111111 0.6120 6 O 2.1041 1.5318 -0.7217 O.2 1 UNL11111111 -0.4393 7 O 0.9416 -0.2408 0.0271 O.3 1 UNL11111111 -0.5594 8 C -0.2643 0.3991 0.2476 C.2 1 UNL11111111 0.6489 9 O -0.3081 1.5494 0.5631 O.2 1 UNL11111111 -0.4369 10 C -1.3380 -0.6328 0.1111 C.3 1 UNL11111111 -0.3867 11 C -2.7672 -0.0341 0.0120 C.3 1 UNL11111111 0.1378 12 C -3.1148 0.6938 1.3138 C.3 1 UNL11111111 -0.4733 13 C -2.8334 0.9341 -1.1736 C.3 1 UNL11111111 -0.4731 14 C -3.7257 -1.2328 -0.2120 C.3 1 UNL11111111 -0.2790 15 C -5.1998 -0.8368 -0.2826 C.3 1 UNL11111111 -0.4322 16 H 4.6801 1.1007 -0.6204 H 1 UNL11111111 0.1658 17 H 4.4139 1.0736 1.1231 H 1 UNL11111111 0.1574 18 H 5.4348 -0.1596 0.3695 H 1 UNL11111111 0.1525 19 H 4.3325 -2.0397 -1.0655 H 1 UNL11111111 0.1552 20 H 2.5939 -1.9791 -1.3770 H 1 UNL11111111 0.1571 21 H 3.6692 -0.7713 -2.1012 H 1 UNL11111111 0.1572 22 H 2.8235 -0.6797 2.1601 H 1 UNL11111111 0.1539 23 H 2.1987 -1.9894 1.1538 H 1 UNL11111111 0.1603 24 H 3.9239 -1.9178 1.5390 H 1 UNL11111111 0.1501 25 H -1.1328 -1.2647 -0.7809 H 1 UNL11111111 0.1799 26 H -1.2771 -1.3240 0.9799 H 1 UNL11111111 0.1788 27 H -2.4008 1.5027 1.5263 H 1 UNL11111111 0.1714 28 H -4.1042 1.1609 1.2580 H 1 UNL11111111 0.1502 29 H -3.1158 0.0161 2.1721 H 1 UNL11111111 0.1412 30 H -2.5819 0.4410 -2.1174 H 1 UNL11111111 0.1439 31 H -3.8348 1.3648 -1.2822 H 1 UNL11111111 0.1509 32 H -2.1422 1.7784 -1.0419 H 1 UNL11111111 0.1676 33 H -3.4448 -1.7546 -1.1466 H 1 UNL11111111 0.1347 34 H -3.5876 -1.9701 0.6020 H 1 UNL11111111 0.1332 35 H -5.5443 -0.3885 0.6562 H 1 UNL11111111 0.1447 36 H -5.3883 -0.1144 -1.0849 H 1 UNL11111111 0.1456 37 H -5.8315 -1.7112 -0.4764 H 1 UNL11111111 0.1369 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 4 24 1 24 10 25 1 25 10 26 1 26 12 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 15 35 1 35 15 36 1 36 15 37 1