@MOLECULE 2,2,3,3-tetramethylhexane 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4336 -1.4045 -1.1258 C.3 1 UNL1111111 -0.4672 2 C -1.4192 -0.3633 0.0106 C.3 1 UNL1111111 0.1031 3 C -0.1032 0.4979 -0.0213 C.3 1 UNL1111111 0.0840 4 C -0.0861 1.4036 -1.2663 C.3 1 UNL1111111 -0.4634 5 C -0.0262 1.3965 1.2263 C.3 1 UNL1111111 -0.4624 6 C 1.1269 -0.4431 -0.0649 C.3 1 UNL1111111 -0.2995 7 C 2.4788 0.2691 0.0805 C.3 1 UNL1111111 -0.2469 8 C 3.6237 -0.7399 -0.0332 C.3 1 UNL1111111 -0.4407 9 C -2.6690 0.5237 -0.1543 C.3 1 UNL1111111 -0.4631 10 C -1.5515 -1.1172 1.3482 C.3 1 UNL1111111 -0.4661 11 H -0.6887 -2.1900 -0.9667 H 1 UNL1111111 0.1437 12 H -2.4098 -1.8971 -1.1922 H 1 UNL1111111 0.1440 13 H -1.2344 -0.9440 -2.0981 H 1 UNL1111111 0.1440 14 H -0.8806 2.1554 -1.2271 H 1 UNL1111111 0.1450 15 H 0.8627 1.9445 -1.3492 H 1 UNL1111111 0.1432 16 H -0.2128 0.8274 -2.1875 H 1 UNL1111111 0.1428 17 H 0.1880 0.8137 2.1278 H 1 UNL1111111 0.1448 18 H 0.7643 2.1476 1.1256 H 1 UNL1111111 0.1433 19 H -0.9627 1.9383 1.3922 H 1 UNL1111111 0.1435 20 H 1.0367 -1.2030 0.7341 H 1 UNL1111111 0.1380 21 H 1.1212 -1.0021 -1.0201 H 1 UNL1111111 0.1402 22 H 2.5871 1.0504 -0.6942 H 1 UNL1111111 0.1334 23 H 2.5362 0.7921 1.0529 H 1 UNL1111111 0.1347 24 H 3.5664 -1.4993 0.7543 H 1 UNL1111111 0.1413 25 H 3.6038 -1.2611 -0.9966 H 1 UNL1111111 0.1415 26 H 4.5970 -0.2456 0.0547 H 1 UNL1111111 0.1387 27 H -3.5841 -0.0605 -0.0091 H 1 UNL1111111 0.1418 28 H -2.6860 1.3409 0.5726 H 1 UNL1111111 0.1427 29 H -2.7214 0.9641 -1.1547 H 1 UNL1111111 0.1444 30 H -0.6643 -1.7195 1.5657 H 1 UNL1111111 0.1428 31 H -1.6991 -0.4279 2.1853 H 1 UNL1111111 0.1454 32 H -2.4104 -1.7965 1.3313 H 1 UNL1111111 0.1431 @BOND 1 16 4 1 2 13 1 1 3 15 4 1 4 4 14 1 5 4 3 1 6 12 1 1 7 29 9 1 8 1 11 1 9 1 2 1 10 21 6 1 11 25 8 1 12 22 7 1 13 9 27 1 14 9 2 1 15 9 28 1 16 6 3 1 17 6 7 1 18 6 20 1 19 8 26 1 20 8 7 1 21 8 24 1 22 3 2 1 23 3 5 1 24 2 10 1 25 7 23 1 26 18 5 1 27 5 19 1 28 5 17 1 29 32 10 1 30 10 30 1 31 10 31 1