MUP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | P | sing | 1.82Å | 1.65Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| CM | O2P | sing | 1.43Å | 1.46Å | |
| CM | HM1 | sing | 1.09Å | 1.12Å | |
| CM | HM2 | sing | 1.09Å | 1.11Å | |
| CM | HM3 | sing | 1.09Å | 1.11Å | |
| O1P | P | doub | 1.48Å | 1.59Å | |
| O2P | P | sing | 1.61Å | 1.67Å | |
| O3P | P | sing | 1.61Å | 1.60Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | P | 116.5° | 109.6° |
| C2 | C1 | H11 | 109.6° | 109.5° |
| C2 | C1 | H12 | 109.6° | 109.4° |
| C1 | C2 | C3 | 112.9° | 109.6° |
| C1 | C2 | H21 | 110.9° | 109.5° |
| C1 | C2 | H22 | 110.9° | 109.4° |
| P | C1 | H11 | 109.7° | 109.5° |
| P | C1 | H12 | 109.6° | 109.5° |
| C1 | P | O1P | 109.8° | 109.5° |
| C1 | P | O2P | 105.7° | 109.5° |
| C1 | P | O3P | 108.0° | 109.5° |
| H11 | C1 | H12 | 100.6° | 109.4° |
| C3 | C2 | H21 | 110.9° | 109.5° |
| C3 | C2 | H22 | 110.9° | 109.5° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C2 | C3 | H31 | 111.6° | 109.5° |
| C2 | C3 | H32 | 111.6° | 109.5° |
| H21 | C2 | H22 | 99.4° | 109.4° |
| C4 | C3 | H31 | 111.6° | 109.5° |
| C4 | C3 | H32 | 111.5° | 109.4° |
| C3 | C4 | C5 | 109.9° | 109.5° |
| C3 | C4 | H41 | 112.1° | 109.5° |
| C3 | C4 | H42 | 112.1° | 109.5° |
| H31 | C3 | H32 | 98.8° | 109.5° |
| C5 | C4 | H41 | 112.1° | 109.5° |
| C5 | C4 | H42 | 112.1° | 109.4° |
| C4 | C5 | C6 | 110.0° | 109.5° |
| C4 | C5 | H51 | 112.0° | 109.5° |
| C4 | C5 | H52 | 112.0° | 109.4° |
| H41 | C4 | H42 | 98.3° | 109.5° |
| C6 | C5 | H51 | 112.0° | 109.5° |
| C6 | C5 | H52 | 112.0° | 109.5° |
| C5 | C6 | C7 | 112.8° | 109.5° |
| C5 | C6 | H61 | 111.0° | 109.5° |
| C5 | C6 | H62 | 111.0° | 109.4° |
| H51 | C5 | H52 | 98.4° | 109.4° |
| C7 | C6 | H61 | 111.0° | 109.5° |
| C7 | C6 | H62 | 111.0° | 109.4° |
| C6 | C7 | C8 | 110.6° | 109.5° |
| C6 | C7 | H71 | 111.7° | 109.5° |
| C6 | C7 | H72 | 111.8° | 109.5° |
| H61 | C6 | H62 | 99.3° | 109.5° |
| C8 | C7 | H71 | 111.8° | 109.4° |
| C8 | C7 | H72 | 111.8° | 109.4° |
| C7 | C8 | C9 | 112.1° | 109.6° |
| C7 | C8 | H81 | 111.2° | 109.5° |
| C7 | C8 | H82 | 111.3° | 109.5° |
| H71 | C7 | H72 | 98.6° | 109.4° |
| C9 | C8 | H81 | 111.2° | 109.5° |
| C9 | C8 | H82 | 111.2° | 109.4° |
| C8 | C9 | C10 | 111.2° | 109.5° |
| C8 | C9 | H91 | 111.6° | 109.5° |
| C8 | C9 | H92 | 111.6° | 109.4° |
| H81 | C8 | H82 | 99.2° | 109.4° |
| C10 | C9 | H91 | 111.5° | 109.5° |
| C10 | C9 | H92 | 111.6° | 109.4° |
| C9 | C10 | C11 | 113.1° | 109.5° |
| C9 | C10 | H101 | 110.9° | 109.6° |
| C9 | C10 | H102 | 110.9° | 109.4° |
| H91 | C9 | H92 | 98.8° | 109.5° |
| C11 | C10 | H101 | 110.8° | 109.5° |
| C11 | C10 | H102 | 110.8° | 109.5° |
| C10 | C11 | H111 | 113.2° | 109.5° |
| C10 | C11 | H112 | 110.9° | 109.4° |
| C10 | C11 | H113 | 110.9° | 109.5° |
| H101 | C10 | H102 | 99.4° | 109.4° |
| H111 | C11 | H112 | 110.8° | 109.5° |
| H111 | C11 | H113 | 110.8° | 109.5° |
| H112 | C11 | H113 | 99.4° | 109.5° |
| O2P | CM | HM1 | 125.3° | 109.5° |
| O2P | CM | HM2 | 106.6° | 109.5° |
| O2P | CM | HM3 | 106.6° | 109.4° |
| CM | O2P | P | 125.3° | 106.8° |
| HM1 | CM | HM2 | 106.6° | 109.5° |
| HM1 | CM | HM3 | 106.7° | 109.3° |
| HM2 | CM | HM3 | 103.0° | 109.5° |
| O1P | P | O2P | 101.9° | 109.4° |
| O1P | P | O3P | 112.4° | 109.5° |
| O2P | P | O3P | 118.6° | 109.4° |
| P | O3P | HOP3 | 108.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | P | H11 | 125.3° | 120.1° |
| C2 | C1 | P | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H12 | 115.4° | 119.9° |
| C1 | C2 | C3 | H21 | 125.3° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.8° | 119.9° |
| C1 | C2 | C3 | C4 | 51.1° | 180.0° |
| C1 | C2 | C3 | H31 | 74.2° | 59.9° |
| C1 | C2 | C3 | H32 | 176.3° | 60.1° |
| C2 | C1 | P | O1P | 150.3° | 60.1° |
| C2 | C1 | P | O2P | 100.5° | 180.0° |
| C2 | C1 | P | O3P | 27.4° | 59.9° |
| P | C1 | H11 | H12 | 115.4° | 120.0° |
| P | C1 | C2 | C3 | 173.0° | 180.0° |
| P | C1 | C2 | H21 | 61.7° | 59.9° |
| P | C1 | C2 | H22 | 47.8° | 60.0° |
| C1 | P | O2P | CM | 163.3° | 180.0° |
| C1 | P | O1P | O2P | 111.7° | 120.0° |
| C1 | P | O1P | O3P | 120.3° | 120.0° |
| C1 | P | O2P | O3P | 121.3° | 120.1° |
| C1 | P | O3P | HOP3 | 180.0° | 60.0° |
| H11 | C1 | C2 | C3 | 61.7° | 59.8° |
| H11 | C1 | C2 | H21 | 63.6° | 180.0° |
| H11 | C1 | C2 | H22 | 173.0° | 60.2° |
| H11 | C1 | P | O1P | 25.0° | 60.0° |
| H11 | C1 | P | O2P | 134.2° | 59.9° |
| H11 | C1 | P | O3P | 97.9° | 179.9° |
| H12 | C1 | C2 | C3 | 47.8° | 60.0° |
| H12 | C1 | C2 | H21 | 173.1° | 60.2° |
| H12 | C1 | C2 | H22 | 77.5° | 180.0° |
| H12 | C1 | P | O1P | 84.5° | 180.0° |
| H12 | C1 | P | O2P | 24.7° | 60.0° |
| H12 | C1 | P | O3P | 152.6° | 60.0° |
| C3 | C2 | H21 | H22 | 116.8° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.5° | 120.0° |
| C2 | C3 | C4 | C5 | 162.1° | 180.0° |
| C2 | C3 | C4 | H41 | 72.6° | 60.0° |
| C2 | C3 | C4 | H42 | 36.8° | 60.1° |
| H21 | C2 | C3 | C4 | 176.4° | 59.9° |
| H21 | C2 | C3 | H31 | 51.1° | 180.0° |
| H21 | C2 | C3 | H32 | 58.4° | 60.0° |
| H22 | C2 | C3 | C4 | 74.2° | 60.0° |
| H22 | C2 | C3 | H31 | 160.6° | 60.0° |
| H22 | C2 | C3 | H32 | 51.1° | 180.0° |
| C4 | C3 | H31 | H32 | 117.4° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 118.0° | 120.0° |
| C3 | C4 | C5 | C6 | 162.5° | 180.0° |
| C3 | C4 | C5 | H51 | 72.2° | 59.9° |
| C3 | C4 | C5 | H52 | 37.3° | 60.0° |
| H31 | C3 | C4 | C5 | 36.9° | 60.0° |
| H31 | C3 | C4 | H41 | 162.1° | 180.0° |
| H31 | C3 | C4 | H42 | 88.4° | 59.9° |
| H32 | C3 | C4 | C5 | 72.6° | 60.0° |
| H32 | C3 | C4 | H41 | 52.7° | 60.0° |
| H32 | C3 | C4 | H42 | 162.1° | 179.9° |
| C5 | C4 | H41 | H42 | 118.0° | 119.9° |
| C4 | C5 | C6 | H51 | 125.2° | 120.1° |
| C4 | C5 | C6 | H52 | 125.2° | 119.9° |
| C4 | C5 | H51 | H52 | 117.9° | 119.9° |
| C4 | C5 | C6 | C7 | 108.1° | 180.0° |
| C4 | C5 | C6 | H61 | 126.7° | 59.9° |
| C4 | C5 | C6 | H62 | 17.2° | 60.1° |
| H41 | C4 | C5 | C6 | 37.2° | 59.9° |
| H41 | C4 | C5 | H51 | 162.5° | 180.0° |
| H41 | C4 | C5 | H52 | 88.0° | 60.1° |
| H42 | C4 | C5 | C6 | 72.2° | 60.1° |
| H42 | C4 | C5 | H51 | 53.0° | 60.1° |
| H42 | C4 | C5 | H52 | 162.6° | 180.0° |
| C6 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.1° |
| C5 | C6 | C7 | H62 | 125.3° | 119.9° |
| C5 | C6 | H61 | H62 | 116.8° | 119.9° |
| C5 | C6 | C7 | C8 | 117.6° | 180.0° |
| C5 | C6 | C7 | H71 | 117.1° | 59.9° |
| C5 | C6 | C7 | H72 | 7.7° | 60.0° |
| H51 | C5 | C6 | C7 | 17.2° | 59.9° |
| H51 | C5 | C6 | H61 | 108.1° | 180.0° |
| H51 | C5 | C6 | H62 | 142.5° | 60.0° |
| H52 | C5 | C6 | C7 | 126.7° | 60.1° |
| H52 | C5 | C6 | H61 | 1.4° | 60.1° |
| H52 | C5 | C6 | H62 | 108.0° | 180.0° |
| C7 | C6 | H61 | H62 | 116.9° | 120.0° |
| C6 | C7 | C8 | H71 | 125.2° | 120.1° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.7° | 120.0° |
| C6 | C7 | C8 | C9 | 92.6° | 180.0° |
| C6 | C7 | C8 | H81 | 142.2° | 59.9° |
| C6 | C7 | C8 | H82 | 32.6° | 60.0° |
| H61 | C6 | C7 | C8 | 7.7° | 60.0° |
| H61 | C6 | C7 | H71 | 117.6° | 180.0° |
| H61 | C6 | C7 | H72 | 133.0° | 60.1° |
| H62 | C6 | C7 | C8 | 117.1° | 60.1° |
| H62 | C6 | C7 | H71 | 8.2° | 60.0° |
| H62 | C6 | C7 | H72 | 117.6° | 179.9° |
| C8 | C7 | H71 | H72 | 117.7° | 119.9° |
| C7 | C8 | C9 | H81 | 125.2° | 120.1° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 117.2° | 120.0° |
| C7 | C8 | C9 | C10 | 88.5° | 180.0° |
| C7 | C8 | C9 | H91 | 36.8° | 59.9° |
| C7 | C8 | C9 | H92 | 146.3° | 60.0° |
| H71 | C7 | C8 | C9 | 32.6° | 59.9° |
| H71 | C7 | C8 | H81 | 92.6° | 180.0° |
| H71 | C7 | C8 | H82 | 157.9° | 60.1° |
| H72 | C7 | C8 | C9 | 142.1° | 60.0° |
| H72 | C7 | C8 | H81 | 16.9° | 60.1° |
| H72 | C7 | C8 | H82 | 92.6° | 179.9° |
| C9 | C8 | H81 | H82 | 117.1° | 119.9° |
| C8 | C9 | C10 | H91 | 125.3° | 120.1° |
| C8 | C9 | C10 | H92 | 125.3° | 119.9° |
| C8 | C9 | H91 | H92 | 117.5° | 120.0° |
| C8 | C9 | C10 | C11 | 119.6° | 180.0° |
| C8 | C9 | C10 | H101 | 115.2° | 59.9° |
| C8 | C9 | C10 | H102 | 5.7° | 60.0° |
| H81 | C8 | C9 | C10 | 146.3° | 59.9° |
| H81 | C8 | C9 | H91 | 88.5° | 180.0° |
| H81 | C8 | C9 | H92 | 21.0° | 60.0° |
| H82 | C8 | C9 | C10 | 36.8° | 60.0° |
| H82 | C8 | C9 | H91 | 162.0° | 60.1° |
| H82 | C8 | C9 | H92 | 88.5° | 179.9° |
| C10 | C9 | H91 | H92 | 117.4° | 119.9° |
| C9 | C10 | C11 | H101 | 125.3° | 120.2° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.8° | 119.9° |
| C9 | C10 | C11 | H111 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 54.7° | 60.0° |
| C9 | C10 | C11 | H113 | 54.8° | 59.9° |
| H91 | C9 | C10 | C11 | 5.7° | 59.9° |
| H91 | C9 | C10 | H101 | 119.5° | 180.0° |
| H91 | C9 | C10 | H102 | 131.0° | 60.1° |
| H92 | C9 | C10 | C11 | 115.2° | 60.1° |
| H92 | C9 | C10 | H101 | 10.1° | 60.1° |
| H92 | C9 | C10 | H102 | 119.6° | 180.0° |
| C11 | C10 | H101 | H102 | 116.7° | 119.9° |
| C10 | C11 | H111 | H112 | 125.3° | 119.9° |
| C10 | C11 | H111 | H113 | 125.3° | 120.0° |
| C10 | C11 | H112 | H113 | 116.8° | 119.9° |
| H101 | C10 | C11 | H111 | 54.7° | 59.9° |
| H101 | C10 | C11 | H112 | 180.0° | 60.1° |
| H101 | C10 | C11 | H113 | 70.6° | 179.9° |
| H102 | C10 | C11 | H111 | 54.7° | 60.0° |
| H102 | C10 | C11 | H112 | 70.6° | 180.0° |
| H102 | C10 | C11 | H113 | 179.9° | 60.0° |
| H111 | C11 | H112 | H113 | 116.6° | 120.0° |
| O2P | CM | HM1 | HM2 | 125.2° | 120.1° |
| O2P | CM | HM1 | HM3 | 125.3° | 119.9° |
| O2P | CM | HM2 | HM3 | 112.1° | 120.0° |
| CM | O2P | P | O1P | 48.6° | 60.0° |
| CM | O2P | P | O3P | 75.4° | 59.9° |
| HM1 | CM | HM2 | HM3 | 112.1° | 119.9° |
| HM1 | CM | O2P | P | 179.9° | 179.9° |
| HM2 | CM | O2P | P | 54.8° | 60.0° |
| HM3 | CM | O2P | P | 54.7° | 60.1° |
| O1P | P | O2P | O3P | 124.0° | 120.0° |
| O1P | P | O3P | HOP3 | 58.8° | 180.0° |
| O2P | P | O3P | HOP3 | 59.9° | 60.0° |
