@MOLECULE isohexyl-[(1S)-1-methylpropyl]phosphane 34 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.5436 1.3269 0.8436 C.3 1 UNL1 -0.4447 2 C 4.2625 0.1092 -0.0378 C.3 1 UNL1 -0.2365 3 C 2.8708 -0.5397 0.2103 C.3 1 UNL1 -0.0860 4 H 2.7032 -0.5637 1.3283 H 1 UNL1 0.1628 5 C 2.9251 -2.0042 -0.2794 C.3 1 UNL1 -0.4243 6 P 1.4056 0.4509 -0.6159 P.3 1 UNL1 -0.5732 7 C -0.1597 -0.3016 0.1759 C.3 1 UNL1 -0.2822 8 C -1.4794 0.4422 -0.1417 C.3 1 UNL1 -0.2324 9 C -2.6456 -0.3724 0.4422 C.3 1 UNL1 -0.2925 10 C -3.9929 0.3478 0.2368 C.3 1 UNL1 -0.0524 11 C -4.3987 0.3551 -1.2410 C.3 1 UNL1 -0.4521 12 C -5.0773 -0.3502 1.0687 C.3 1 UNL1 -0.4553 13 H 5.6212 1.5433 0.8649 H 1 UNL1 0.1540 14 H 4.0602 2.2405 0.4811 H 1 UNL1 0.1468 15 H 4.2300 1.1675 1.8814 H 1 UNL1 0.1456 16 H 4.4330 0.3611 -1.1056 H 1 UNL1 0.1582 17 H 5.0312 -0.6666 0.1807 H 1 UNL1 0.1485 18 H 3.7204 -2.5420 0.2588 H 1 UNL1 0.1530 19 H 2.0022 -2.5718 -0.0996 H 1 UNL1 0.1510 20 H 3.1596 -2.0946 -1.3516 H 1 UNL1 0.1672 21 H 1.5207 1.7746 0.0568 H 1 UNL1 0.1998 22 H -0.2601 -1.3621 -0.1960 H 1 UNL1 0.1930 23 H -0.0580 -0.3855 1.2890 H 1 UNL1 0.1728 24 H -1.4962 1.4638 0.2889 H 1 UNL1 0.1454 25 H -1.6381 0.5677 -1.2350 H 1 UNL1 0.1609 26 H -2.6837 -1.3745 -0.0234 H 1 UNL1 0.1432 27 H -2.4816 -0.5438 1.5230 H 1 UNL1 0.1381 28 H -3.8958 1.4027 0.5901 H 1 UNL1 0.1303 29 H -3.6815 0.9113 -1.8546 H 1 UNL1 0.1450 30 H -4.4619 -0.6605 -1.6463 H 1 UNL1 0.1458 31 H -5.3784 0.8253 -1.3796 H 1 UNL1 0.1423 32 H -4.8296 -0.3478 2.1352 H 1 UNL1 0.1409 33 H -6.0453 0.1503 0.9564 H 1 UNL1 0.1424 34 H -5.2099 -1.3924 0.7597 H 1 UNL1 0.1447 @BOND 1 29 11 1 2 30 11 1 3 31 11 1 4 20 5 1 5 11 10 1 6 25 8 1 7 16 2 1 8 6 21 1 9 6 7 1 10 6 3 1 11 5 19 1 12 5 3 1 13 5 18 1 14 22 7 1 15 8 7 1 16 8 24 1 17 8 9 1 18 2 17 1 19 2 3 1 20 2 1 1 21 26 9 1 22 7 23 1 23 3 4 1 24 10 9 1 25 10 28 1 26 10 12 1 27 9 27 1 28 14 1 1 29 34 12 1 30 1 13 1 31 1 15 1 32 33 12 1 33 12 32 1