EOT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N3 | sing | 1.40Å | 1.34Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.48Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| N3 | C18 | sing | 1.35Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C18 | S1 | doub | 1.71Å | 1.67Å | |
| C18 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C19 | sing | 1.46Å | 1.47Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | O9 | sing | 1.43Å | 1.42Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C11 | C1 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | O7 | doub | 1.21Å | 1.35Å | |
| C10 | O8 | sing | 1.34Å | 1.23Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | O5 | doub | 1.21Å | 1.35Å | |
| C8 | O6 | sing | 1.34Å | 1.23Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N2 | C5 | sing | 1.47Å | 1.48Å | |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | O3 | doub | 1.21Å | 1.34Å | |
| C6 | O4 | sing | 1.34Å | 1.23Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | O1 | doub | 1.21Å | 1.35Å | |
| C4 | O2 | sing | 1.34Å | 1.23Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 118.4° | 119.9° |
| C16 | C15 | N3 | 124.0° | 120.1° |
| C15 | C16 | C17 | 121.3° | 119.9° |
| C15 | C16 | H16 | 119.6° | 120.1° |
| C14 | C15 | N3 | 117.6° | 120.1° |
| C15 | C14 | C13 | 120.6° | 119.9° |
| C15 | C14 | H14 | 119.7° | 120.1° |
| C15 | N3 | C18 | 124.3° | 120.0° |
| C15 | N3 | HN3 | 106.9° | 120.0° |
| C17 | C16 | H16 | 119.1° | 120.0° |
| C16 | C17 | C12 | 119.6° | 120.0° |
| C16 | C17 | H17 | 120.2° | 119.9° |
| C12 | C17 | H17 | 120.2° | 120.0° |
| C17 | C12 | C13 | 119.4° | 120.2° |
| C17 | C12 | C11 | 120.5° | 119.9° |
| C13 | C12 | C11 | 120.1° | 119.9° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C12 | C11 | C1 | 116.7° | 109.5° |
| C12 | C11 | H111 | 109.6° | 109.5° |
| C12 | C11 | H112 | 109.6° | 109.5° |
| C14 | C13 | H13 | 119.6° | 119.9° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C18 | N3 | HN3 | 107.0° | 120.0° |
| N3 | C18 | S1 | 123.0° | 120.0° |
| N3 | C18 | N4 | 116.5° | 120.0° |
| S1 | C18 | N4 | 120.5° | 120.0° |
| C18 | N4 | C19 | 121.5° | 120.0° |
| C18 | N4 | HN4 | 114.0° | 120.0° |
| C19 | N4 | HN4 | 124.5° | 120.0° |
| N4 | C19 | C20 | 109.3° | 109.5° |
| N4 | C19 | H191 | 112.3° | 109.4° |
| N4 | C19 | H192 | 112.2° | 109.5° |
| C20 | C19 | H191 | 112.3° | 109.5° |
| C20 | C19 | H192 | 112.3° | 109.5° |
| C19 | C20 | O9 | 108.4° | 109.5° |
| C19 | C20 | H201 | 112.6° | 109.5° |
| C19 | C20 | H202 | 112.6° | 109.5° |
| H191 | C19 | H192 | 98.2° | 109.5° |
| O9 | C20 | H201 | 112.6° | 109.4° |
| O9 | C20 | H202 | 112.6° | 109.5° |
| C20 | O9 | HO9 | 108.4° | 106.8° |
| H201 | C20 | H202 | 97.8° | 109.4° |
| C1 | C11 | H111 | 109.6° | 109.5° |
| C1 | C11 | H112 | 109.6° | 109.5° |
| C11 | C1 | C2 | 110.0° | 109.5° |
| C11 | C1 | N1 | 111.5° | 109.5° |
| C11 | C1 | H1 | 107.5° | 109.5° |
| H111 | C11 | H112 | 100.6° | 109.4° |
| C2 | C1 | N1 | 108.8° | 109.5° |
| C2 | C1 | H1 | 110.3° | 109.5° |
| C1 | C2 | N2 | 115.1° | 109.5° |
| C1 | C2 | H21 | 110.2° | 109.5° |
| C1 | C2 | H22 | 110.1° | 109.5° |
| N1 | C1 | H1 | 108.8° | 109.4° |
| C1 | N1 | C9 | 114.0° | 106.7° |
| C1 | N1 | C7 | 111.0° | 106.7° |
| N2 | C2 | H21 | 110.1° | 109.5° |
| N2 | C2 | H22 | 110.1° | 109.4° |
| C2 | N2 | C5 | 107.6° | 106.7° |
| C2 | N2 | C3 | 113.1° | 106.7° |
| H21 | C2 | H22 | 100.1° | 109.5° |
| C9 | N1 | C7 | 114.0° | 106.7° |
| N1 | C9 | C10 | 112.0° | 109.5° |
| N1 | C9 | H91 | 111.3° | 109.5° |
| N1 | C9 | H92 | 111.3° | 109.5° |
| N1 | C7 | C8 | 109.2° | 109.5° |
| N1 | C7 | H71 | 112.3° | 109.5° |
| N1 | C7 | H72 | 112.3° | 109.5° |
| C10 | C9 | H91 | 111.3° | 109.5° |
| C10 | C9 | H92 | 111.3° | 109.5° |
| C9 | C10 | O7 | 114.9° | 119.9° |
| C9 | C10 | O8 | 121.3° | 120.0° |
| H91 | C9 | H92 | 99.1° | 109.5° |
| O7 | C10 | O8 | 123.7° | 120.0° |
| C10 | O8 | HO8 | 121.3° | 120.1° |
| C8 | C7 | H71 | 112.3° | 109.4° |
| C8 | C7 | H72 | 112.3° | 109.4° |
| C7 | C8 | O5 | 114.2° | 120.0° |
| C7 | C8 | O6 | 121.3° | 120.0° |
| H71 | C7 | H72 | 98.2° | 109.5° |
| O5 | C8 | O6 | 124.4° | 119.9° |
| C8 | O6 | HO6 | 121.3° | 120.0° |
| C5 | N2 | C3 | 110.4° | 106.7° |
| N2 | C5 | C6 | 113.9° | 109.5° |
| N2 | C5 | H51 | 110.6° | 109.5° |
| N2 | C5 | H52 | 110.6° | 109.5° |
| N2 | C3 | C4 | 111.6° | 109.4° |
| N2 | C3 | H31 | 111.4° | 109.5° |
| N2 | C3 | H32 | 111.4° | 109.5° |
| C6 | C5 | H51 | 110.6° | 109.4° |
| C6 | C5 | H52 | 110.6° | 109.5° |
| C5 | C6 | O3 | 115.9° | 120.0° |
| C5 | C6 | O4 | 121.4° | 120.0° |
| H51 | C5 | H52 | 99.7° | 109.5° |
| O3 | C6 | O4 | 122.7° | 120.0° |
| C6 | O4 | HO4 | 121.4° | 120.0° |
| C4 | C3 | H31 | 111.4° | 109.5° |
| C4 | C3 | H32 | 111.4° | 109.5° |
| C3 | C4 | O1 | 114.0° | 120.1° |
| C3 | C4 | O2 | 122.3° | 120.0° |
| H31 | C3 | H32 | 99.0° | 109.5° |
| O1 | C4 | O2 | 123.7° | 120.0° |
| C4 | O2 | HO2 | 122.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | N3 | 179.5° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.7° | 179.9° |
| C16 | C15 | C14 | C13 | 0.3° | 0.5° |
| C16 | C15 | C14 | H14 | 179.7° | 179.9° |
| C16 | C15 | N3 | C18 | 55.7° | 44.0° |
| C16 | C15 | N3 | HN3 | 69.6° | 135.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C14 | C15 | C16 | H16 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.4° | 0.5° |
| C15 | C14 | C13 | H14 | 180.0° | 179.6° |
| C15 | C14 | C13 | H13 | 179.7° | 179.7° |
| C14 | C15 | N3 | C18 | 124.9° | 136.3° |
| C14 | C15 | N3 | HN3 | 109.8° | 43.8° |
| N3 | C15 | C16 | C17 | 179.5° | 180.0° |
| N3 | C15 | C16 | H16 | 0.5° | 0.0° |
| N3 | C15 | C14 | C13 | 179.8° | 179.7° |
| N3 | C15 | C14 | H14 | 0.1° | 0.1° |
| C15 | N3 | C18 | HN3 | 125.3° | 179.9° |
| C15 | N3 | C18 | S1 | 5.3° | 1.3° |
| C15 | N3 | C18 | N4 | 175.3° | 178.7° |
| C16 | C17 | C12 | H17 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 0.2° | 0.1° |
| C16 | C17 | C12 | C11 | 179.9° | 180.0° |
| H16 | C16 | C17 | C12 | 179.8° | 179.9° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| C17 | C12 | C13 | C11 | 179.8° | 179.9° |
| C17 | C12 | C13 | C14 | 0.1° | 0.2° |
| C17 | C12 | C13 | H13 | 179.9° | 180.0° |
| C17 | C12 | C11 | C1 | 78.6° | 94.9° |
| C17 | C12 | C11 | H111 | 156.1° | 145.1° |
| C17 | C12 | C11 | H112 | 46.6° | 25.1° |
| H17 | C17 | C12 | C13 | 179.8° | 180.0° |
| H17 | C17 | C12 | C11 | 0.0° | 0.1° |
| C12 | C13 | C14 | H13 | 179.9° | 179.8° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C13 | C12 | C11 | C1 | 101.1° | 85.0° |
| C13 | C12 | C11 | H111 | 24.1° | 35.0° |
| C13 | C12 | C11 | H112 | 133.6° | 155.0° |
| C11 | C12 | C13 | C14 | 179.6° | 179.7° |
| C11 | C12 | C13 | H13 | 0.3° | 0.0° |
| C12 | C11 | C1 | H111 | 125.3° | 120.0° |
| C12 | C11 | C1 | H112 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 115.4° | 120.0° |
| C12 | C11 | C1 | C2 | 74.9° | 174.3° |
| C12 | C11 | C1 | N1 | 164.3° | 65.7° |
| C12 | C11 | C1 | H1 | 45.2° | 54.2° |
| H13 | C13 | C14 | H14 | 0.4° | 0.2° |
| N3 | C18 | S1 | N4 | 179.4° | 180.0° |
| N3 | C18 | N4 | C19 | 177.4° | 180.0° |
| N3 | C18 | N4 | HN4 | 2.6° | 0.0° |
| HN3 | N3 | C18 | S1 | 130.6° | 178.6° |
| HN3 | N3 | C18 | N4 | 50.0° | 1.4° |
| S1 | C18 | N4 | C19 | 3.2° | 0.0° |
| S1 | C18 | N4 | HN4 | 176.8° | 180.0° |
| C18 | N4 | C19 | HN4 | 180.0° | 180.0° |
| C18 | N4 | C19 | C20 | 145.6° | 180.0° |
| C18 | N4 | C19 | H191 | 20.4° | 60.0° |
| C18 | N4 | C19 | H192 | 89.2° | 60.0° |
| N4 | C19 | C20 | H191 | 125.2° | 119.9° |
| N4 | C19 | C20 | H192 | 125.2° | 120.0° |
| N4 | C19 | H191 | H192 | 118.2° | 120.0° |
| N4 | C19 | C20 | O9 | 178.3° | 60.0° |
| N4 | C19 | C20 | H201 | 53.1° | 60.0° |
| N4 | C19 | C20 | H202 | 56.4° | 180.0° |
| HN4 | N4 | C19 | C20 | 34.4° | 0.0° |
| HN4 | N4 | C19 | H191 | 159.7° | 120.0° |
| HN4 | N4 | C19 | H192 | 90.8° | 120.0° |
| C20 | C19 | H191 | H192 | 118.2° | 120.0° |
| C19 | C20 | O9 | H201 | 125.3° | 120.0° |
| C19 | C20 | O9 | H202 | 125.3° | 120.1° |
| C19 | C20 | H201 | H202 | 118.5° | 120.0° |
| C19 | C20 | O9 | HO9 | 180.0° | 180.0° |
| H191 | C19 | C20 | O9 | 56.4° | 180.0° |
| H191 | C19 | C20 | H201 | 178.3° | 60.0° |
| H191 | C19 | C20 | H202 | 68.9° | 60.0° |
| H192 | C19 | C20 | O9 | 53.1° | 60.0° |
| H192 | C19 | C20 | H201 | 72.1° | 180.0° |
| H192 | C19 | C20 | H202 | 178.4° | 60.0° |
| O9 | C20 | H201 | H202 | 118.5° | 120.0° |
| H201 | C20 | O9 | HO9 | 54.7° | 60.0° |
| H202 | C20 | O9 | HO9 | 54.7° | 59.9° |
| C1 | C11 | H111 | H112 | 115.4° | 120.0° |
| C11 | C1 | C2 | N1 | 122.4° | 120.0° |
| C11 | C1 | C2 | H1 | 118.4° | 120.0° |
| C11 | C1 | N1 | H1 | 118.4° | 120.0° |
| C11 | C1 | C2 | N2 | 179.4° | 68.4° |
| C11 | C1 | C2 | H21 | 55.3° | 51.6° |
| C11 | C1 | C2 | H22 | 54.2° | 171.6° |
| C11 | C1 | N1 | C9 | 77.0° | 150.9° |
| C11 | C1 | N1 | C7 | 53.4° | 95.3° |
| H111 | C11 | C1 | C2 | 50.3° | 54.2° |
| H111 | C11 | C1 | N1 | 70.4° | 174.2° |
| H111 | C11 | C1 | H1 | 170.4° | 65.8° |
| H112 | C11 | C1 | C2 | 159.8° | 65.7° |
| H112 | C11 | C1 | N1 | 39.1° | 54.3° |
| H112 | C11 | C1 | H1 | 80.1° | 174.3° |
| C2 | C1 | N1 | H1 | 120.1° | 120.0° |
| C1 | C2 | N2 | H21 | 125.3° | 120.0° |
| C1 | C2 | N2 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.0° | 120.0° |
| C2 | C1 | N1 | C9 | 161.6° | 89.1° |
| C2 | C1 | N1 | C7 | 68.1° | 24.7° |
| C1 | C2 | N2 | C5 | 155.2° | 165.2° |
| C1 | C2 | N2 | C3 | 82.6° | 81.1° |
| N1 | C1 | C2 | N2 | 57.1° | 171.5° |
| N1 | C1 | C2 | H21 | 177.7° | 68.4° |
| N1 | C1 | C2 | H22 | 68.2° | 51.6° |
| C1 | N1 | C9 | C7 | 128.9° | 113.8° |
| C1 | N1 | C9 | C10 | 68.3° | 75.2° |
| C1 | N1 | C9 | H91 | 166.4° | 44.8° |
| C1 | N1 | C9 | H92 | 56.9° | 164.8° |
| C1 | N1 | C7 | C8 | 167.4° | 79.6° |
| C1 | N1 | C7 | H71 | 42.2° | 160.4° |
| C1 | N1 | C7 | H72 | 67.3° | 40.4° |
| H1 | C1 | C2 | N2 | 62.1° | 51.6° |
| H1 | C1 | C2 | H21 | 63.1° | 171.6° |
| H1 | C1 | C2 | H22 | 172.6° | 68.3° |
| H1 | C1 | N1 | C9 | 41.4° | 30.9° |
| H1 | C1 | N1 | C7 | 171.8° | 144.7° |
| N2 | C2 | H21 | H22 | 116.0° | 119.9° |
| C2 | N2 | C5 | C3 | 123.8° | 113.8° |
| C2 | N2 | C5 | C6 | 124.3° | 168.0° |
| C2 | N2 | C5 | H51 | 110.5° | 48.0° |
| C2 | N2 | C5 | H52 | 1.0° | 72.0° |
| C2 | N2 | C3 | C4 | 164.1° | 120.6° |
| C2 | N2 | C3 | H31 | 38.8° | 119.4° |
| C2 | N2 | C3 | H32 | 70.7° | 0.6° |
| H21 | C2 | N2 | C5 | 79.5° | 45.1° |
| H21 | C2 | N2 | C3 | 42.6° | 158.9° |
| H22 | C2 | N2 | C5 | 30.0° | 74.8° |
| H22 | C2 | N2 | C3 | 152.1° | 38.9° |
| N1 | C9 | C10 | H91 | 125.3° | 120.0° |
| N1 | C9 | C10 | H92 | 125.3° | 120.0° |
| N1 | C9 | H91 | H92 | 117.1° | 120.0° |
| N1 | C9 | C10 | O7 | 34.0° | 0.0° |
| N1 | C9 | C10 | O8 | 142.7° | 180.0° |
| C9 | N1 | C7 | C8 | 62.2° | 166.6° |
| C9 | N1 | C7 | H71 | 172.6° | 46.7° |
| C9 | N1 | C7 | H72 | 63.1° | 73.4° |
| C7 | N1 | C9 | C10 | 162.8° | 171.0° |
| C7 | N1 | C9 | H91 | 37.5° | 69.0° |
| C7 | N1 | C9 | H92 | 72.0° | 51.0° |
| N1 | C7 | C8 | H71 | 125.2° | 120.0° |
| N1 | C7 | C8 | H72 | 125.3° | 120.0° |
| N1 | C7 | H71 | H72 | 118.2° | 120.0° |
| N1 | C7 | C8 | O5 | 29.5° | 12.7° |
| N1 | C7 | C8 | O6 | 146.9° | 167.3° |
| C10 | C9 | H91 | H92 | 117.2° | 120.0° |
| C9 | C10 | O7 | O8 | 176.6° | 179.9° |
| C9 | C10 | O8 | HO8 | 180.0° | 180.0° |
| H91 | C9 | C10 | O7 | 91.3° | 120.0° |
| H91 | C9 | C10 | O8 | 92.0° | 60.0° |
| H92 | C9 | C10 | O7 | 159.2° | 119.9° |
| H92 | C9 | C10 | O8 | 17.5° | 60.0° |
| O7 | C10 | O8 | HO8 | 3.6° | 0.1° |
| C8 | C7 | H71 | H72 | 118.2° | 120.0° |
| C7 | C8 | O5 | O6 | 176.2° | 180.0° |
| C7 | C8 | O6 | HO6 | 180.0° | 180.0° |
| H71 | C7 | C8 | O5 | 95.7° | 107.2° |
| H71 | C7 | C8 | O6 | 87.9° | 72.7° |
| H72 | C7 | C8 | O5 | 154.7° | 132.7° |
| H72 | C7 | C8 | O6 | 21.6° | 47.3° |
| O5 | C8 | O6 | HO6 | 4.0° | 0.0° |
| N2 | C5 | C6 | H51 | 125.2° | 120.0° |
| N2 | C5 | C6 | H52 | 125.3° | 120.1° |
| N2 | C5 | H51 | H52 | 116.5° | 120.1° |
| N2 | C5 | C6 | O3 | 23.4° | 5.2° |
| N2 | C5 | C6 | O4 | 158.4° | 174.9° |
| C5 | N2 | C3 | C4 | 75.3° | 125.6° |
| C5 | N2 | C3 | H31 | 159.4° | 5.6° |
| C5 | N2 | C3 | H32 | 49.9° | 114.4° |
| C3 | N2 | C5 | C6 | 111.9° | 78.2° |
| C3 | N2 | C5 | H51 | 13.3° | 161.8° |
| C3 | N2 | C5 | H52 | 122.8° | 41.8° |
| N2 | C3 | C4 | H31 | 125.3° | 120.0° |
| N2 | C3 | C4 | H32 | 125.2° | 119.9° |
| N2 | C3 | H31 | H32 | 117.3° | 120.0° |
| N2 | C3 | C4 | O1 | 20.6° | 4.5° |
| N2 | C3 | C4 | O2 | 157.4° | 175.5° |
| C6 | C5 | H51 | H52 | 116.5° | 120.0° |
| C5 | C6 | O3 | O4 | 178.2° | 180.0° |
| C5 | C6 | O4 | HO4 | 180.0° | 180.0° |
| H51 | C5 | C6 | O3 | 148.7° | 114.8° |
| H51 | C5 | C6 | O4 | 33.1° | 65.2° |
| H52 | C5 | C6 | O3 | 101.9° | 125.2° |
| H52 | C5 | C6 | O4 | 76.3° | 54.8° |
| O3 | C6 | O4 | HO4 | 2.0° | 0.1° |
| C4 | C3 | H31 | H32 | 117.3° | 120.0° |
| C3 | C4 | O1 | O2 | 178.0° | 180.0° |
| C3 | C4 | O2 | HO2 | 180.0° | 180.0° |
| H31 | C3 | C4 | O1 | 104.7° | 115.4° |
| H31 | C3 | C4 | O2 | 77.3° | 64.5° |
| H32 | C3 | C4 | O1 | 145.8° | 124.5° |
| H32 | C3 | C4 | O2 | 32.2° | 55.6° |
| O1 | C4 | O2 | HO2 | 2.2° | 0.0° |
