0M8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C7 | N1 | sing | 1.47Å | 1.44Å | |
| O2 | P1 | doub | 1.48Å | 1.48Å | |
| O1 | P1 | sing | 1.61Å | 1.52Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | P1 | sing | 1.82Å | 1.82Å | |
| C9 | P2 | sing | 1.82Å | 1.84Å | |
| P1 | O3 | sing | 1.61Å | 1.52Å | |
| O5 | P2 | doub | 1.48Å | 1.51Å | |
| P2 | O6 | sing | 1.61Å | 1.52Å | |
| P2 | O4 | sing | 1.61Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| O6 | H5 | sing | 0.97Å | 0.95Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.7° | 109.5° |
| C1 | C2 | H20 | 108.6° | 109.5° |
| C1 | C2 | H21 | 108.7° | 109.4° |
| C2 | C1 | H22 | 109.5° | 109.4° |
| C2 | C1 | H23 | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C3 | C4 | 113.4° | 109.5° |
| C2 | C3 | H18 | 108.5° | 109.5° |
| C2 | C3 | H19 | 108.5° | 109.4° |
| C3 | C2 | H20 | 108.7° | 109.5° |
| C3 | C2 | H21 | 108.7° | 109.4° |
| C3 | C4 | C5 | 113.1° | 109.5° |
| C3 | C4 | H16 | 108.6° | 109.4° |
| C3 | C4 | H17 | 108.6° | 109.4° |
| C4 | C3 | H18 | 108.5° | 109.5° |
| C4 | C3 | H19 | 108.5° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.5° |
| C4 | C5 | H14 | 109.1° | 109.5° |
| C4 | C5 | H15 | 109.1° | 109.5° |
| C5 | C4 | H16 | 108.6° | 109.5° |
| C5 | C4 | H17 | 108.6° | 109.5° |
| C5 | C6 | C7 | 110.8° | 109.5° |
| C5 | C6 | H12 | 109.1° | 109.4° |
| C5 | C6 | H13 | 109.1° | 109.5° |
| C6 | C5 | H14 | 109.1° | 109.4° |
| C6 | C5 | H15 | 109.1° | 109.5° |
| C6 | C7 | N1 | 110.0° | 109.5° |
| C6 | C7 | H10 | 109.3° | 109.5° |
| C6 | C7 | H11 | 109.3° | 109.5° |
| C7 | C6 | H12 | 109.1° | 109.5° |
| C7 | C6 | H13 | 109.1° | 109.5° |
| C7 | N1 | C8 | 125.5° | 111.0° |
| C7 | N1 | H8 | 105.3° | 111.0° |
| N1 | C7 | H10 | 109.4° | 109.4° |
| N1 | C7 | H11 | 109.3° | 109.5° |
| O2 | P1 | O1 | 115.5° | 109.5° |
| O2 | P1 | C9 | 95.9° | 109.5° |
| O2 | P1 | O3 | 115.3° | 109.4° |
| O1 | P1 | C9 | 106.7° | 109.5° |
| O1 | P1 | O3 | 112.3° | 109.5° |
| P1 | O1 | H1 | 109.5° | 114.0° |
| N1 | C8 | C9 | 107.6° | 109.5° |
| N1 | C8 | H6 | 109.9° | 109.5° |
| N1 | C8 | H7 | 110.0° | 109.4° |
| C8 | N1 | H8 | 105.3° | 111.0° |
| C8 | C9 | P1 | 118.9° | 109.5° |
| C8 | C9 | P2 | 115.5° | 109.5° |
| C8 | C9 | H3 | 104.8° | 109.5° |
| C9 | C8 | H6 | 109.9° | 109.5° |
| C9 | C8 | H7 | 109.9° | 109.5° |
| P1 | C9 | P2 | 110.3° | 109.4° |
| C9 | P1 | O3 | 109.3° | 109.5° |
| P1 | C9 | H3 | 102.5° | 109.5° |
| C9 | P2 | O5 | 88.8° | 109.5° |
| C9 | P2 | O6 | 113.1° | 109.5° |
| C9 | P2 | O4 | 117.4° | 109.5° |
| P2 | C9 | H3 | 102.4° | 109.5° |
| P1 | O3 | H2 | 109.5° | 114.0° |
| O5 | P2 | O6 | 115.4° | 109.5° |
| O5 | P2 | O4 | 112.4° | 109.4° |
| O6 | P2 | O4 | 108.9° | 109.5° |
| P2 | O6 | H5 | 109.5° | 114.0° |
| P2 | O4 | H4 | 109.5° | 114.0° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
| H16 | C4 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H24 | 109.4° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H20 | 120.4° | 120.1° |
| C1 | C2 | C3 | H21 | 120.5° | 120.0° |
| C1 | C2 | C3 | C4 | 179.4° | 180.0° |
| C1 | C2 | C3 | H18 | 60.0° | 59.9° |
| C1 | C2 | C3 | H19 | 58.8° | 60.0° |
| C1 | C2 | H20 | H21 | 118.5° | 120.0° |
| C2 | C1 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | H22 | H24 | 120.0° | 120.0° |
| C2 | C1 | H23 | H24 | 120.0° | 120.0° |
| C2 | C3 | C4 | H18 | 120.6° | 120.0° |
| C2 | C3 | C4 | H19 | 120.6° | 120.0° |
| C2 | C3 | C4 | C5 | 166.3° | 180.0° |
| C2 | C3 | C4 | H16 | 45.8° | 60.0° |
| C2 | C3 | C4 | H17 | 73.1° | 60.0° |
| C2 | C3 | H18 | H19 | 118.2° | 119.9° |
| C3 | C2 | H20 | H21 | 118.6° | 120.0° |
| C3 | C2 | C1 | H22 | 180.0° | 60.1° |
| C3 | C2 | C1 | H23 | 60.0° | 180.0° |
| C3 | C2 | C1 | H24 | 60.0° | 60.0° |
| C3 | C4 | C5 | H16 | 120.5° | 120.0° |
| C3 | C4 | C5 | H17 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 150.5° | 180.0° |
| C3 | C4 | C5 | H14 | 30.3° | 60.0° |
| C3 | C4 | C5 | H15 | 89.4° | 60.0° |
| C3 | C4 | H16 | H17 | 118.4° | 119.9° |
| C4 | C3 | H18 | H19 | 118.2° | 120.0° |
| C4 | C3 | C2 | H20 | 58.9° | 60.0° |
| C4 | C3 | C2 | H21 | 60.1° | 60.0° |
| C4 | C5 | C6 | H14 | 120.2° | 120.0° |
| C4 | C5 | C6 | H15 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 66.1° | 180.0° |
| C4 | C5 | C6 | H12 | 54.1° | 60.0° |
| C4 | C5 | C6 | H13 | 173.7° | 60.0° |
| C4 | C5 | H14 | H15 | 119.4° | 120.0° |
| C5 | C4 | H16 | H17 | 118.4° | 120.1° |
| C5 | C4 | C3 | H18 | 73.1° | 60.0° |
| C5 | C4 | C3 | H19 | 45.8° | 60.0° |
| C5 | C6 | C7 | H12 | 120.2° | 119.9° |
| C5 | C6 | C7 | H13 | 120.2° | 120.0° |
| C5 | C6 | C7 | N1 | 172.4° | 180.0° |
| C5 | C6 | C7 | H10 | 52.3° | 60.1° |
| C5 | C6 | C7 | H11 | 67.5° | 60.0° |
| C5 | C6 | H12 | H13 | 119.4° | 120.0° |
| C6 | C5 | H14 | H15 | 119.3° | 120.0° |
| C6 | C5 | C4 | H16 | 89.0° | 60.0° |
| C6 | C5 | C4 | H17 | 29.9° | 60.0° |
| C6 | C7 | N1 | H10 | 120.1° | 120.0° |
| C6 | C7 | N1 | H11 | 120.1° | 120.0° |
| C6 | C7 | N1 | C8 | 157.9° | 180.0° |
| C6 | C7 | N1 | H8 | 80.0° | 56.0° |
| C6 | C7 | H10 | H11 | 119.8° | 120.0° |
| C7 | C6 | H12 | H13 | 119.4° | 120.0° |
| C7 | C6 | C5 | H14 | 173.7° | 60.0° |
| C7 | C6 | C5 | H15 | 54.1° | 60.0° |
| C7 | N1 | C8 | H8 | 122.1° | 124.0° |
| C7 | N1 | C8 | C9 | 112.2° | 180.0° |
| C7 | N1 | C8 | H6 | 128.1° | 60.0° |
| C7 | N1 | C8 | H7 | 7.5° | 60.0° |
| N1 | C7 | H10 | H11 | 119.8° | 120.0° |
| N1 | C7 | C6 | H12 | 67.4° | 60.1° |
| N1 | C7 | C6 | H13 | 52.2° | 60.0° |
| O2 | P1 | O1 | C9 | 105.1° | 120.0° |
| O2 | P1 | O1 | O3 | 135.1° | 120.0° |
| O2 | P1 | C9 | C8 | 131.1° | 60.0° |
| O2 | P1 | C9 | O3 | 119.5° | 120.0° |
| O2 | P1 | C9 | P2 | 92.3° | 60.0° |
| O2 | P1 | O1 | H1 | 0.0° | 60.0° |
| O2 | P1 | O3 | H2 | 0.0° | 60.0° |
| O2 | P1 | C9 | H3 | 16.2° | 180.0° |
| O1 | P1 | C9 | C8 | 12.3° | 180.0° |
| O1 | P1 | C9 | O3 | 121.7° | 120.0° |
| O1 | P1 | C9 | P2 | 148.9° | 60.0° |
| O1 | P1 | O3 | H2 | 135.2° | 180.0° |
| O1 | P1 | C9 | H3 | 102.7° | 60.0° |
| N1 | C8 | C9 | H6 | 119.7° | 120.0° |
| N1 | C8 | C9 | H7 | 119.7° | 119.9° |
| N1 | C8 | C9 | P1 | 175.3° | 60.0° |
| N1 | C8 | C9 | P2 | 50.2° | 60.0° |
| N1 | C8 | C9 | H3 | 61.6° | 180.0° |
| N1 | C8 | H6 | H7 | 120.9° | 119.9° |
| C8 | N1 | C7 | H10 | 37.8° | 60.0° |
| C8 | N1 | C7 | H11 | 82.0° | 60.0° |
| C8 | C9 | P1 | P2 | 136.6° | 120.0° |
| C8 | C9 | P1 | H3 | 114.9° | 120.0° |
| C8 | C9 | P2 | H3 | 113.3° | 120.0° |
| C8 | C9 | P1 | O3 | 109.5° | 60.0° |
| C8 | C9 | P2 | O5 | 133.4° | 60.0° |
| C8 | C9 | P2 | O6 | 16.3° | 60.0° |
| C8 | C9 | P2 | O4 | 111.8° | 180.0° |
| C9 | C8 | H6 | H7 | 120.8° | 120.1° |
| C9 | C8 | N1 | H8 | 9.9° | 56.0° |
| P1 | C9 | P2 | H3 | 108.5° | 120.0° |
| P1 | C9 | P2 | O5 | 88.3° | 180.0° |
| P1 | C9 | P2 | O6 | 154.5° | 60.0° |
| P1 | C9 | P2 | O4 | 26.4° | 60.0° |
| C9 | P1 | O1 | H1 | 105.1° | 60.0° |
| C9 | P1 | O3 | H2 | 106.6° | 60.0° |
| P1 | C9 | C8 | H6 | 65.0° | 60.0° |
| P1 | C9 | C8 | H7 | 55.6° | 180.0° |
| P2 | C9 | P1 | O3 | 27.2° | 180.0° |
| C9 | P2 | O5 | O6 | 115.1° | 120.0° |
| C9 | P2 | O5 | O4 | 119.2° | 120.0° |
| C9 | P2 | O6 | O4 | 132.4° | 120.1° |
| C9 | P2 | O4 | H4 | 100.8° | 180.0° |
| C9 | P2 | O6 | H5 | 100.2° | 60.0° |
| P2 | C9 | C8 | H6 | 69.5° | 180.0° |
| P2 | C9 | C8 | H7 | 170.0° | 60.0° |
| O3 | P1 | O1 | H1 | 135.1° | 179.9° |
| O3 | P1 | C9 | H3 | 135.6° | 60.0° |
| O5 | P2 | O6 | O4 | 127.5° | 120.0° |
| O5 | P2 | C9 | H3 | 20.2° | 60.0° |
| O5 | P2 | O4 | H4 | 0.0° | 60.0° |
| O5 | P2 | O6 | H5 | 0.0° | 180.0° |
| O6 | P2 | C9 | H3 | 97.0° | 180.0° |
| O6 | P2 | O4 | H4 | 129.1° | 60.0° |
| O4 | P2 | C9 | H3 | 134.9° | 60.0° |
| O4 | P2 | O6 | H5 | 127.5° | 60.0° |
| H3 | C9 | C8 | H6 | 178.7° | 60.0° |
| H3 | C9 | C8 | H7 | 58.1° | 60.0° |
| H6 | C8 | N1 | H8 | 109.8° | 64.0° |
| H7 | C8 | N1 | H8 | 129.6° | 176.0° |
| H8 | N1 | C7 | H10 | 159.9° | 64.0° |
| H8 | N1 | C7 | H11 | 40.1° | 176.0° |
| H10 | C7 | C6 | H12 | 172.5° | 180.0° |
| H10 | C7 | C6 | H13 | 67.9° | 60.0° |
| H11 | C7 | C6 | H12 | 52.7° | 60.0° |
| H11 | C7 | C6 | H13 | 172.3° | 180.0° |
| H12 | C6 | C5 | H14 | 66.1° | 180.0° |
| H12 | C6 | C5 | H15 | 174.3° | 60.0° |
| H13 | C6 | C5 | H14 | 53.5° | 60.0° |
| H13 | C6 | C5 | H15 | 66.1° | 180.0° |
| H14 | C5 | C4 | H16 | 150.8° | 180.0° |
| H14 | C5 | C4 | H17 | 90.3° | 60.0° |
| H15 | C5 | C4 | H16 | 31.2° | 60.0° |
| H15 | C5 | C4 | H17 | 150.1° | 180.0° |
| H16 | C4 | C3 | H18 | 166.4° | 180.0° |
| H16 | C4 | C3 | H19 | 74.8° | 60.0° |
| H17 | C4 | C3 | H18 | 47.5° | 60.0° |
| H17 | C4 | C3 | H19 | 166.3° | 180.0° |
| H18 | C3 | C2 | H20 | 179.5° | 180.0° |
| H18 | C3 | C2 | H21 | 60.4° | 60.0° |
| H19 | C3 | C2 | H20 | 61.7° | 60.0° |
| H19 | C3 | C2 | H21 | 179.3° | 180.0° |
| H20 | C2 | C1 | H22 | 59.5° | 60.0° |
| H20 | C2 | C1 | H23 | 60.5° | 60.0° |
| H20 | C2 | C1 | H24 | 179.5° | 180.0° |
| H21 | C2 | C1 | H22 | 59.5° | 180.0° |
| H21 | C2 | C1 | H23 | 179.5° | 60.0° |
| H21 | C2 | C1 | H24 | 60.5° | 60.0° |
| H22 | C1 | H23 | H24 | 120.0° | 120.1° |
