@MOLECULE butyl(isobutyl)phosphane 28 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.1586 0.0475 -0.0440 C.3 1 UNL1 -0.4342 2 C 3.8031 -0.5852 -0.3554 C.3 1 UNL1 -0.2544 3 C 2.6643 0.2686 0.2297 C.3 1 UNL1 -0.2318 4 C 1.3145 -0.3804 -0.1619 C.3 1 UNL1 -0.2843 5 P -0.2319 0.6280 0.3162 P.3 1 UNL1 -0.5551 6 C -1.6845 -0.5209 -0.1352 C.3 1 UNL1 -0.3009 7 C -3.1090 -0.0251 0.2635 C.3 1 UNL1 -0.0144 8 C -3.6065 1.1100 -0.6380 C.3 1 UNL1 -0.4527 9 C -4.0580 -1.2284 0.1324 C.3 1 UNL1 -0.4628 10 H 5.3243 0.1334 1.0360 H 1 UNL1 0.1449 11 H 5.9796 -0.5511 -0.4548 H 1 UNL1 0.1433 12 H 5.2416 1.0537 -0.4717 H 1 UNL1 0.1470 13 H 3.6798 -0.6871 -1.4506 H 1 UNL1 0.1383 14 H 3.7616 -1.6119 0.0541 H 1 UNL1 0.1358 15 H 2.7914 0.3398 1.3289 H 1 UNL1 0.1458 16 H 2.7609 1.3064 -0.1559 H 1 UNL1 0.1601 17 H 1.3070 -0.5170 -1.2819 H 1 UNL1 0.1922 18 H 1.2821 -1.4166 0.2633 H 1 UNL1 0.1729 19 H -0.2193 0.5808 1.8040 H 1 UNL1 0.1984 20 H -1.6817 -0.6768 -1.2511 H 1 UNL1 0.1933 21 H -1.5340 -1.5413 0.3045 H 1 UNL1 0.1739 22 H -3.1416 0.3187 1.3272 H 1 UNL1 0.1379 23 H -3.5026 0.8653 -1.7010 H 1 UNL1 0.1492 24 H -4.6666 1.3212 -0.4526 H 1 UNL1 0.1497 25 H -3.0682 2.0511 -0.4684 H 1 UNL1 0.1595 26 H -3.7727 -2.0487 0.7992 H 1 UNL1 0.1441 27 H -5.0854 -0.9449 0.3918 H 1 UNL1 0.1545 28 H -4.0797 -1.6181 -0.8910 H 1 UNL1 0.1497 @BOND 1 23 8 1 2 13 2 1 3 17 4 1 4 20 6 1 5 28 9 1 6 8 25 1 7 8 24 1 8 8 7 1 9 12 1 1 10 11 1 1 11 2 1 1 12 2 14 1 13 2 3 1 14 4 3 1 15 4 18 1 16 4 5 1 17 16 3 1 18 6 7 1 19 6 21 1 20 6 5 1 21 1 10 1 22 9 7 1 23 9 27 1 24 9 26 1 25 3 15 1 26 7 22 1 27 5 19 1