T25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | O2 | sing | 1.34Å | 1.26Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | doub | 1.31Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O3 | sing | 1.43Å | 1.43Å | |
| C13 | O3 | sing | 1.43Å | 1.44Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 111.2° | 109.5° |
| C2 | C3 | C4 | 114.3° | 109.5° |
| C3 | C2 | H21 | 108.9° | 109.4° |
| C3 | C2 | H22 | 108.5° | 109.4° |
| C2 | C3 | H31 | 107.9° | 109.5° |
| C2 | C3 | H32 | 106.8° | 109.5° |
| C2 | C1 | O1 | 117.8° | 120.0° |
| C2 | C1 | O2 | 118.1° | 120.0° |
| C1 | C2 | H21 | 108.9° | 109.5° |
| C1 | C2 | H22 | 108.5° | 109.5° |
| C3 | C4 | C5 | 112.8° | 109.5° |
| C4 | C3 | H31 | 107.9° | 109.5° |
| C4 | C3 | H32 | 106.8° | 109.5° |
| C3 | C4 | H41 | 108.4° | 109.5° |
| C3 | C4 | H42 | 107.6° | 109.5° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | H41 | 108.4° | 109.5° |
| C5 | C4 | H42 | 107.6° | 109.5° |
| C4 | C5 | H51 | 108.7° | 109.4° |
| C4 | C5 | H52 | 108.2° | 109.4° |
| C5 | C6 | C7 | 112.7° | 109.5° |
| C6 | C5 | H51 | 108.7° | 109.5° |
| C6 | C5 | H52 | 108.1° | 109.6° |
| C5 | C6 | H61 | 108.4° | 109.5° |
| C5 | C6 | H62 | 107.7° | 109.6° |
| O1 | C1 | O2 | 124.2° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C6 | C7 | C8 | 107.9° | 109.5° |
| C7 | C6 | H61 | 108.4° | 109.4° |
| C7 | C6 | H62 | 107.7° | 109.5° |
| C6 | C7 | H71 | 110.0° | 109.5° |
| C6 | C7 | H72 | 110.3° | 109.5° |
| C18 | C17 | C16 | 112.0° | 109.5° |
| C18 | C17 | H171 | 108.6° | 109.5° |
| C18 | C17 | H172 | 108.1° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C7 | C8 | C9 | 109.0° | 109.5° |
| C8 | C7 | H71 | 110.0° | 109.5° |
| C8 | C7 | H72 | 110.3° | 109.5° |
| C7 | C8 | H81 | 109.6° | 109.5° |
| C7 | C8 | H82 | 109.7° | 109.5° |
| C17 | C16 | C15 | 110.6° | 109.4° |
| C17 | C16 | H161 | 109.1° | 109.5° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C16 | C17 | H171 | 108.6° | 109.5° |
| C16 | C17 | H172 | 108.0° | 109.5° |
| C8 | C9 | C10 | 115.5° | 120.0° |
| C9 | C8 | H81 | 109.6° | 109.5° |
| C9 | C8 | H82 | 109.7° | 109.4° |
| C8 | C9 | H9 | 122.3° | 120.0° |
| C16 | C15 | C14 | 108.5° | 109.4° |
| C16 | C15 | H151 | 109.8° | 109.4° |
| C16 | C15 | H152 | 110.0° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.4° |
| C15 | C16 | H162 | 108.9° | 109.5° |
| C9 | C10 | C11 | 116.4° | 119.9° |
| C10 | C9 | H9 | 122.3° | 119.9° |
| C9 | C10 | H10 | 121.8° | 120.0° |
| C15 | C14 | C13 | 114.0° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.5° |
| C15 | C14 | H142 | 106.9° | 109.5° |
| C14 | C15 | H151 | 109.8° | 109.5° |
| C14 | C15 | H152 | 110.0° | 109.5° |
| C10 | C11 | C12 | 108.1° | 109.4° |
| C11 | C10 | H10 | 121.8° | 120.0° |
| C10 | C11 | H111 | 109.9° | 109.5° |
| C10 | C11 | H112 | 110.2° | 109.5° |
| C11 | C12 | C13 | 115.5° | 117.8° |
| C11 | C12 | O3 | 112.7° | 117.8° |
| C12 | C11 | H111 | 109.9° | 109.5° |
| C12 | C11 | H112 | 110.3° | 109.4° |
| C11 | C12 | H12 | 96.8° | 115.7° |
| C14 | C13 | C12 | 115.5° | 117.8° |
| C14 | C13 | O3 | 108.9° | 117.8° |
| C14 | C13 | H13 | 98.8° | 115.8° |
| C13 | C14 | H141 | 108.0° | 109.5° |
| C13 | C14 | H142 | 107.0° | 109.4° |
| C13 | C12 | O3 | 57.8° | 57.7° |
| C12 | C13 | O3 | 57.6° | 57.6° |
| C13 | C12 | H12 | 135.0° | 117.8° |
| C12 | C13 | H13 | 133.6° | 117.8° |
| C12 | O3 | C13 | 64.6° | 64.7° |
| O3 | C12 | H12 | 137.3° | 117.8° |
| O3 | C13 | H13 | 139.2° | 117.7° |
| H21 | C2 | H22 | 110.8° | 109.5° |
| H31 | C3 | H32 | 113.3° | 109.5° |
| H41 | C4 | H42 | 112.1° | 109.5° |
| H51 | C5 | H52 | 111.3° | 109.5° |
| H61 | C6 | H62 | 112.1° | 109.4° |
| H71 | C7 | H72 | 108.3° | 109.5° |
| H81 | C8 | H82 | 109.1° | 109.5° |
| H111 | C11 | H112 | 108.4° | 109.5° |
| H141 | C14 | H142 | 113.1° | 109.5° |
| H151 | C15 | H152 | 108.7° | 109.5° |
| H161 | C16 | H162 | 110.3° | 109.5° |
| H171 | C17 | H172 | 111.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H21 | 120.0° | 119.9° |
| C3 | C2 | C1 | H22 | 119.3° | 120.0° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32 | 117.9° | 120.0° |
| C2 | C3 | C4 | C5 | 41.3° | 180.0° |
| C3 | C2 | C1 | O1 | 118.2° | 0.0° |
| C3 | C2 | C1 | O2 | 61.5° | 179.7° |
| C3 | C2 | H21 | H22 | 119.3° | 119.9° |
| C2 | C3 | H31 | H32 | 118.0° | 120.0° |
| C2 | C3 | C4 | H41 | 161.3° | 60.0° |
| C2 | C3 | C4 | H42 | 77.3° | 60.0° |
| C1 | C2 | C3 | C4 | 58.7° | 180.0° |
| C2 | C1 | O1 | O2 | 179.7° | 179.7° |
| C2 | C1 | O2 | HO2 | 179.6° | 179.7° |
| C1 | C2 | H21 | H22 | 119.3° | 120.1° |
| C1 | C2 | C3 | H31 | 178.7° | 60.0° |
| C1 | C2 | C3 | H32 | 59.2° | 60.0° |
| C3 | C4 | C5 | H41 | 120.0° | 120.0° |
| C3 | C4 | C5 | H42 | 118.5° | 120.0° |
| C3 | C4 | C5 | C6 | 166.8° | 180.0° |
| C4 | C3 | C2 | H21 | 178.7° | 60.0° |
| C4 | C3 | C2 | H22 | 60.6° | 60.0° |
| C4 | C3 | H31 | H32 | 118.0° | 120.0° |
| C3 | C4 | H41 | H42 | 118.6° | 120.0° |
| C3 | C4 | C5 | H51 | 73.2° | 60.0° |
| C3 | C4 | C5 | H52 | 47.8° | 60.0° |
| C4 | C5 | C6 | H51 | 120.0° | 119.9° |
| C4 | C5 | C6 | H52 | 119.0° | 120.0° |
| C4 | C5 | C6 | C7 | 97.8° | 180.0° |
| C5 | C4 | C3 | H31 | 78.7° | 60.0° |
| C5 | C4 | C3 | H32 | 159.2° | 60.0° |
| C5 | C4 | H41 | H42 | 118.6° | 120.0° |
| C4 | C5 | H51 | H52 | 119.0° | 119.9° |
| C4 | C5 | C6 | H61 | 142.2° | 60.0° |
| C4 | C5 | C6 | H62 | 20.8° | 60.0° |
| C5 | C6 | C7 | H61 | 120.0° | 120.0° |
| C5 | C6 | C7 | H62 | 118.6° | 120.1° |
| C5 | C6 | C7 | C8 | 131.2° | 180.0° |
| C6 | C5 | C4 | H41 | 46.8° | 60.0° |
| C6 | C5 | C4 | H42 | 74.7° | 60.0° |
| C6 | C5 | H51 | H52 | 119.0° | 120.1° |
| C5 | C6 | H61 | H62 | 118.7° | 120.1° |
| C5 | C6 | C7 | H71 | 11.2° | 60.1° |
| C5 | C6 | C7 | H72 | 108.2° | 59.9° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C1 | C2 | H21 | 121.8° | 120.0° |
| O1 | C1 | C2 | H22 | 1.1° | 120.0° |
| O2 | C1 | C2 | H21 | 58.5° | 60.3° |
| O2 | C1 | C2 | H22 | 179.2° | 59.7° |
| C6 | C7 | C8 | H71 | 120.0° | 120.0° |
| C6 | C7 | C8 | H72 | 120.6° | 120.1° |
| C6 | C7 | C8 | C9 | 169.3° | 180.0° |
| C7 | C6 | C5 | H51 | 22.2° | 60.1° |
| C7 | C6 | C5 | H52 | 143.2° | 60.0° |
| C7 | C6 | H61 | H62 | 118.7° | 120.0° |
| C6 | C7 | H71 | H72 | 120.6° | 120.0° |
| C6 | C7 | C8 | H81 | 70.7° | 60.0° |
| C6 | C7 | C8 | H82 | 49.1° | 60.0° |
| C18 | C17 | C16 | H171 | 120.0° | 120.0° |
| C18 | C17 | C16 | H172 | 118.9° | 119.9° |
| C18 | C17 | C16 | C15 | 131.5° | 179.9° |
| C18 | C17 | C16 | H161 | 11.4° | 60.0° |
| C18 | C17 | C16 | H162 | 109.0° | 60.0° |
| C18 | C17 | H171 | H172 | 119.0° | 119.9° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C7 | C8 | C9 | H81 | 120.0° | 120.0° |
| C7 | C8 | C9 | H82 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 144.7° | 127.6° |
| C8 | C7 | C6 | H61 | 108.8° | 60.0° |
| C8 | C7 | C6 | H62 | 12.6° | 59.9° |
| C8 | C7 | H71 | H72 | 120.6° | 120.0° |
| C7 | C8 | H81 | H82 | 120.2° | 120.0° |
| C7 | C8 | C9 | H9 | 35.3° | 52.4° |
| C17 | C16 | C15 | H161 | 120.0° | 120.0° |
| C17 | C16 | C15 | H162 | 119.5° | 120.0° |
| C17 | C16 | C15 | C14 | 82.5° | 180.0° |
| C17 | C16 | C15 | H151 | 37.5° | 60.0° |
| C17 | C16 | C15 | H152 | 157.1° | 60.0° |
| C17 | C16 | H161 | H162 | 119.5° | 120.0° |
| C16 | C17 | H171 | H172 | 118.9° | 120.1° |
| C16 | C17 | C18 | H181 | 43.5° | 60.0° |
| C16 | C17 | C18 | H182 | 163.5° | 180.0° |
| C16 | C17 | C18 | H183 | 76.5° | 60.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.0° | 7.5° |
| C9 | C8 | C7 | H71 | 49.3° | 60.0° |
| C9 | C8 | C7 | H72 | 70.1° | 60.0° |
| C9 | C8 | H81 | H82 | 120.2° | 120.0° |
| C8 | C9 | C10 | H10 | 179.0° | 172.4° |
| C16 | C15 | C14 | H151 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 137.3° | 179.9° |
| C16 | C15 | C14 | H141 | 17.3° | 60.0° |
| C16 | C15 | C14 | H142 | 104.7° | 60.0° |
| C16 | C15 | H151 | H152 | 120.4° | 120.0° |
| C15 | C16 | H161 | H162 | 119.5° | 120.0° |
| C15 | C16 | C17 | H171 | 108.5° | 60.0° |
| C15 | C16 | C17 | H172 | 12.6° | 60.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 176.2° | 126.3° |
| C10 | C9 | C8 | H81 | 95.3° | 7.6° |
| C10 | C9 | C8 | H82 | 24.5° | 112.4° |
| C9 | C10 | C11 | H111 | 56.2° | 113.7° |
| C9 | C10 | C11 | H112 | 63.2° | 6.4° |
| C15 | C14 | C13 | H141 | 120.0° | 120.0° |
| C15 | C14 | C13 | H142 | 118.0° | 120.0° |
| C15 | C14 | C13 | C12 | 96.0° | 175.0° |
| C15 | C14 | C13 | O3 | 158.4° | 119.0° |
| C15 | C14 | C13 | H13 | 52.0° | 28.0° |
| C15 | C14 | H141 | H142 | 118.1° | 120.1° |
| C14 | C15 | H151 | H152 | 120.4° | 120.0° |
| C14 | C15 | C16 | H161 | 157.5° | 60.0° |
| C14 | C15 | C16 | H162 | 37.0° | 60.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 178.5° | 175.0° |
| C10 | C11 | C12 | O3 | 117.7° | 119.0° |
| C11 | C10 | C9 | H9 | 179.0° | 172.5° |
| C10 | C11 | H111 | H112 | 120.5° | 120.0° |
| C10 | C11 | C12 | H12 | 30.8° | 28.0° |
| C11 | C12 | C13 | C14 | 4.8° | 0.0° |
| C11 | C12 | C13 | O3 | 101.8° | 106.8° |
| C11 | C12 | C13 | H12 | 131.4° | 146.3° |
| C11 | C12 | O3 | H12 | 130.0° | 146.3° |
| C12 | C11 | C10 | H10 | 3.8° | 53.7° |
| C12 | C11 | H111 | H112 | 120.6° | 120.0° |
| C11 | C12 | C13 | H13 | 128.9° | 146.4° |
| C14 | C13 | C12 | O3 | 97.0° | 106.8° |
| C14 | C13 | C12 | H13 | 133.6° | 146.4° |
| C14 | C13 | O3 | H13 | 130.1° | 146.3° |
| C14 | C13 | C12 | H12 | 136.2° | 146.3° |
| C13 | C14 | H141 | H142 | 118.2° | 119.9° |
| C13 | C14 | C15 | H151 | 102.8° | 60.0° |
| C13 | C14 | C15 | H152 | 16.9° | 60.0° |
| C13 | C12 | O3 | H12 | 123.3° | 106.9° |
| C12 | C13 | O3 | H13 | 121.1° | 106.8° |
| C13 | C12 | C11 | H111 | 61.5° | 65.0° |
| C13 | C12 | C11 | H112 | 57.9° | 55.0° |
| C12 | C13 | C14 | H141 | 24.0° | 65.0° |
| C12 | C13 | C14 | H142 | 146.0° | 55.0° |
| O3 | C12 | C11 | H111 | 2.3° | 1.1° |
| O3 | C12 | C11 | H112 | 121.8° | 121.1° |
| O3 | C13 | C14 | H141 | 38.4° | 1.0° |
| O3 | C13 | C14 | H142 | 83.6° | 121.0° |
| H21 | C2 | C3 | H31 | 61.3° | 180.0° |
| H21 | C2 | C3 | H32 | 60.8° | 60.0° |
| H22 | C2 | C3 | H31 | 59.4° | 60.0° |
| H22 | C2 | C3 | H32 | 178.5° | 180.0° |
| H31 | C3 | C4 | H41 | 41.2° | 180.0° |
| H31 | C3 | C4 | H42 | 162.7° | 60.0° |
| H32 | C3 | C4 | H41 | 80.9° | 60.0° |
| H32 | C3 | C4 | H42 | 40.6° | 180.0° |
| H41 | C4 | C5 | H51 | 166.8° | 180.0° |
| H41 | C4 | C5 | H52 | 72.2° | 60.0° |
| H42 | C4 | C5 | H51 | 45.3° | 60.0° |
| H42 | C4 | C5 | H52 | 166.4° | 180.0° |
| H51 | C5 | C6 | H61 | 97.8° | 180.0° |
| H51 | C5 | C6 | H62 | 140.8° | 60.0° |
| H52 | C5 | C6 | H61 | 23.2° | 59.9° |
| H52 | C5 | C6 | H62 | 98.2° | 179.9° |
| H61 | C6 | C7 | H71 | 131.2° | 180.0° |
| H61 | C6 | C7 | H72 | 11.8° | 60.0° |
| H62 | C6 | C7 | H71 | 107.4° | 60.1° |
| H62 | C6 | C7 | H72 | 133.2° | 180.0° |
| H71 | C7 | C8 | H81 | 169.3° | 180.0° |
| H71 | C7 | C8 | H82 | 70.9° | 60.0° |
| H72 | C7 | C8 | H81 | 49.9° | 60.0° |
| H72 | C7 | C8 | H82 | 169.7° | 179.9° |
| H81 | C8 | C9 | H9 | 84.7° | 172.4° |
| H82 | C8 | C9 | H9 | 155.5° | 67.6° |
| H9 | C9 | C10 | H10 | 1.0° | 7.5° |
| H10 | C10 | C11 | H111 | 123.9° | 66.3° |
| H10 | C10 | C11 | H112 | 116.7° | 173.6° |
| H111 | C11 | C12 | H12 | 150.8° | 148.0° |
| H112 | C11 | C12 | H12 | 89.8° | 91.9° |
| H12 | C12 | C13 | H13 | 2.5° | 0.1° |
| H13 | C13 | C14 | H141 | 172.0° | 148.0° |
| H13 | C13 | C14 | H142 | 66.0° | 92.0° |
| H141 | C14 | C15 | H151 | 137.2° | 180.0° |
| H141 | C14 | C15 | H152 | 103.1° | 60.0° |
| H142 | C14 | C15 | H151 | 15.2° | 59.9° |
| H142 | C14 | C15 | H152 | 134.9° | 180.0° |
| H151 | C15 | C16 | H161 | 82.6° | 180.0° |
| H151 | C15 | C16 | H162 | 157.0° | 60.0° |
| H152 | C15 | C16 | H161 | 37.1° | 60.0° |
| H152 | C15 | C16 | H162 | 83.4° | 180.0° |
| H161 | C16 | C17 | H171 | 131.4° | 180.0° |
| H161 | C16 | C17 | H172 | 107.5° | 59.9° |
| H162 | C16 | C17 | H171 | 11.0° | 60.0° |
| H162 | C16 | C17 | H172 | 132.1° | 180.0° |
| H171 | C17 | C18 | H181 | 163.5° | 60.0° |
| H171 | C17 | C18 | H182 | 76.5° | 60.0° |
| H171 | C17 | C18 | H183 | 43.5° | 180.0° |
| H172 | C17 | C18 | H181 | 75.3° | 180.0° |
| H172 | C17 | C18 | H182 | 44.6° | 60.0° |
| H172 | C17 | C18 | H183 | 164.7° | 60.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
