@MOLECULE ethyl-[(1S)-1-methylpropyl]phosphane 22 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.6650 1.4155 0.4344 C.3 1 UNL1 -0.4445 2 C 2.3030 0.0809 -0.2185 C.3 1 UNL1 -0.2357 3 C 0.9463 -0.5077 0.2654 C.3 1 UNL1 -0.0872 4 H 0.8847 -0.3443 1.3821 H 1 UNL1 0.1629 5 C 0.9647 -2.0333 0.0235 C.3 1 UNL1 -0.4244 6 P -0.5942 0.3486 -0.5736 P.3 1 UNL1 -0.5749 7 C -2.0909 -0.2806 0.4411 C.3 1 UNL1 -0.2580 8 C -3.4039 0.4877 0.2063 C.3 1 UNL1 -0.4004 9 H 3.7378 1.6219 0.3149 H 1 UNL1 0.1543 10 H 2.1429 2.2681 -0.0122 H 1 UNL1 0.1469 11 H 2.4579 1.4188 1.5103 H 1 UNL1 0.1455 12 H 2.3639 0.1664 -1.3239 H 1 UNL1 0.1588 13 H 3.0938 -0.6604 0.0372 H 1 UNL1 0.1491 14 H 1.1319 -2.3006 -1.0319 H 1 UNL1 0.1674 15 H 1.7903 -2.4850 0.5945 H 1 UNL1 0.1539 16 H 0.0533 -2.5530 0.3484 H 1 UNL1 0.1506 17 H -0.4447 1.7548 -0.1071 H 1 UNL1 0.2012 18 H -2.2636 -1.3622 0.1711 H 1 UNL1 0.1911 19 H -1.8685 -0.2816 1.5398 H 1 UNL1 0.1710 20 H -4.2171 -0.0099 0.7578 H 1 UNL1 0.1538 21 H -3.3776 1.5259 0.5648 H 1 UNL1 0.1527 22 H -3.7207 0.5108 -0.8490 H 1 UNL1 0.1661 @BOND 1 12 2 1 2 14 5 1 3 22 8 1 4 6 17 1 5 6 3 1 6 6 7 1 7 2 13 1 8 2 3 1 9 2 1 1 10 10 1 1 11 5 3 1 12 5 16 1 13 5 15 1 14 18 7 1 15 8 7 1 16 8 21 1 17 8 20 1 18 3 4 1 19 9 1 1 20 1 11 1 21 7 19 1