@MOLECULE 2-methyl-3-ethylpentane 26 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.1397 0.0859 0.3065 C.3 1 UNL1 -0.1168 2 C 1.3630 0.4729 0.3333 C.3 1 UNL1 -0.0809 3 C -0.4444 -1.0252 -0.7184 C.3 1 UNL1 -0.2591 4 C -0.9853 1.3478 0.0347 C.3 1 UNL1 -0.2664 5 C 2.1994 -0.6681 0.9286 C.3 1 UNL1 -0.4546 6 C 1.9020 0.8569 -1.0488 C.3 1 UNL1 -0.4514 7 C -1.3625 -2.1031 -0.1381 C.3 1 UNL1 -0.4415 8 C -2.4673 1.1270 0.3370 C.3 1 UNL1 -0.4377 9 H -0.3987 -0.2889 1.3267 H 1 UNL1 0.1369 10 H 1.4697 1.3618 1.0054 H 1 UNL1 0.1275 11 H -0.9005 -0.5917 -1.6274 H 1 UNL1 0.1355 12 H 0.4948 -1.5002 -1.0612 H 1 UNL1 0.1367 13 H -0.6078 2.1869 0.6505 H 1 UNL1 0.1320 14 H -0.8592 1.6684 -1.0162 H 1 UNL1 0.1352 15 H 2.1396 -1.5748 0.3169 H 1 UNL1 0.1459 16 H 3.2557 -0.3881 0.9993 H 1 UNL1 0.1421 17 H 1.8572 -0.9292 1.9354 H 1 UNL1 0.1408 18 H 1.3320 1.6843 -1.4840 H 1 UNL1 0.1419 19 H 2.9493 1.1728 -0.9877 H 1 UNL1 0.1415 20 H 1.8543 0.0194 -1.7524 H 1 UNL1 0.1446 21 H -2.3033 -1.6767 0.2265 H 1 UNL1 0.1436 22 H -1.6114 -2.8577 -0.8917 H 1 UNL1 0.1386 23 H -0.8870 -2.6198 0.7029 H 1 UNL1 0.1409 24 H -2.6188 0.7657 1.3599 H 1 UNL1 0.1413 25 H -3.0351 2.0572 0.2265 H 1 UNL1 0.1384 26 H -2.9072 0.3891 -0.3439 H 1 UNL1 0.1449 @BOND 1 20 6 1 2 11 3 1 3 18 6 1 4 12 3 1 5 6 19 1 6 6 2 1 7 14 4 1 8 22 7 1 9 3 7 1 10 3 1 1 11 26 8 1 12 7 21 1 13 7 23 1 14 4 1 1 15 4 8 1 16 4 13 1 17 25 8 1 18 1 2 1 19 1 9 1 20 15 5 1 21 2 5 1 22 2 10 1 23 8 24 1 24 5 16 1 25 5 17 1