@MOLECULE [(1S)-1-methylbutyl]-propyl-phosphane 28 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.6065 -0.0869 0.4075 C.3 1 UNL1 -0.4434 2 C 3.3587 -0.7021 -0.2318 C.3 1 UNL1 -0.2108 3 C 2.1174 0.0764 0.2699 C.3 1 UNL1 -0.2797 4 P 0.4433 -0.5650 -0.3800 P.3 1 UNL1 -0.5784 5 C -0.8608 0.7400 0.2333 C.3 1 UNL1 -0.0907 6 H -0.8733 0.6528 1.3667 H 1 UNL1 0.1817 7 C -0.5422 2.2107 -0.1110 C.3 1 UNL1 -0.4400 8 C -2.3055 0.4354 -0.2615 C.3 1 UNL1 -0.2506 9 C -2.9674 -0.7592 0.4435 C.3 1 UNL1 -0.2497 10 C -4.4643 -0.7908 0.1296 C.3 1 UNL1 -0.4366 11 H 4.5705 -0.1392 1.5017 H 1 UNL1 0.1482 12 H 5.5121 -0.6179 0.0879 H 1 UNL1 0.1524 13 H 4.7317 0.9648 0.1273 H 1 UNL1 0.1456 14 H 3.4620 -0.6645 -1.3356 H 1 UNL1 0.1438 15 H 3.3087 -1.7808 0.0327 H 1 UNL1 0.1574 16 H 2.1040 0.0184 1.3961 H 1 UNL1 0.1927 17 H 2.2618 1.1626 0.0319 H 1 UNL1 0.1746 18 H 0.5230 -0.2928 -1.8407 H 1 UNL1 0.2024 19 H -1.2716 2.8698 0.3871 H 1 UNL1 0.1580 20 H 0.4427 2.5497 0.2342 H 1 UNL1 0.1497 21 H -0.6143 2.4310 -1.1846 H 1 UNL1 0.1560 22 H -2.9191 1.3422 -0.0591 H 1 UNL1 0.1491 23 H -2.3665 0.3070 -1.3597 H 1 UNL1 0.1464 24 H -2.5115 -1.7194 0.1306 H 1 UNL1 0.1526 25 H -2.8128 -0.6976 1.5374 H 1 UNL1 0.1383 26 H -4.9468 -1.6556 0.6001 H 1 UNL1 0.1457 27 H -4.9741 0.1070 0.4949 H 1 UNL1 0.1410 28 H -4.6460 -0.8623 -0.9488 H 1 UNL1 0.1446 @BOND 1 18 4 1 2 23 8 1 3 14 2 1 4 21 7 1 5 28 10 1 6 4 5 1 7 4 3 1 8 8 22 1 9 8 5 1 10 8 9 1 11 2 15 1 12 2 3 1 13 2 1 1 14 7 5 1 15 7 20 1 16 7 19 1 17 17 3 1 18 12 1 1 19 13 1 1 20 10 9 1 21 10 27 1 22 10 26 1 23 24 9 1 24 5 6 1 25 3 16 1 26 1 11 1 27 9 25 1