TRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.34Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C11 | sing | 1.51Å | 1.56Å | |
| C5 | C | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C | C6 | sing | 1.47Å | 1.41Å | |
| C9 | C10 | sing | 1.54Å | 1.42Å | |
| C9 | C16 | sing | 1.53Å | 1.57Å | |
| C9 | C17 | sing | 1.53Å | 1.47Å | |
| C10 | C11 | sing | 1.54Å | 1.59Å | |
| C10 | C15 | sing | 1.53Å | 1.44Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | C13 | sing | 1.53Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| C8 | C18 | sing | 1.53Å | 1.49Å | |
| C8 | C6 | sing | 1.51Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | O2 | doub | 1.21Å | 1.27Å | |
| C19 | O3 | sing | 1.34Å | 1.27Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | O | doub | 1.21Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 117.9° | 119.7° |
| C2 | C1 | C7 | 116.9° | 120.1° |
| C1 | C2 | C3 | 119.4° | 120.5° |
| C1 | C2 | H2 | 120.3° | 119.7° |
| C | C1 | C7 | 125.1° | 120.2° |
| C1 | C | C5 | 120.1° | 119.6° |
| C1 | C | C6 | 121.5° | 120.2° |
| C1 | C7 | H71 | 116.9° | 109.5° |
| C1 | C7 | H72 | 109.5° | 109.5° |
| C1 | C7 | H73 | 109.5° | 109.5° |
| C3 | C2 | H2 | 120.3° | 119.8° |
| C2 | C3 | C4 | 119.9° | 120.1° |
| C2 | C3 | C9 | 124.7° | 130.2° |
| C4 | C3 | C9 | 111.1° | 109.8° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C3 | C4 | C11 | 106.9° | 109.6° |
| C3 | C9 | C10 | 110.3° | 105.2° |
| C3 | C9 | C16 | 117.5° | 110.3° |
| C3 | C9 | C17 | 117.1° | 110.4° |
| C5 | C4 | C11 | 129.7° | 130.4° |
| C4 | C5 | C | 119.1° | 120.2° |
| C4 | C5 | H5 | 120.4° | 119.9° |
| C4 | C11 | C10 | 104.1° | 105.3° |
| C4 | C11 | C13 | 112.4° | 110.3° |
| C4 | C11 | H11 | 110.7° | 110.3° |
| C | C5 | H5 | 120.5° | 119.9° |
| C5 | C | C6 | 118.3° | 120.3° |
| C | C6 | C8 | 123.0° | 120.0° |
| C | C6 | O | 118.8° | 120.0° |
| C10 | C9 | C16 | 97.5° | 110.3° |
| C10 | C9 | C17 | 114.9° | 110.3° |
| C9 | C10 | C11 | 103.6° | 102.4° |
| C9 | C10 | C15 | 108.9° | 111.0° |
| C9 | C10 | H10 | 115.1° | 110.8° |
| C16 | C9 | C17 | 97.6° | 110.3° |
| C9 | C16 | H161 | 117.5° | 109.4° |
| C9 | C16 | H162 | 109.4° | 109.4° |
| C9 | C16 | H163 | 109.3° | 109.4° |
| C9 | C17 | H171 | 117.1° | 109.5° |
| C9 | C17 | H172 | 109.4° | 109.5° |
| C9 | C17 | H173 | 109.4° | 109.5° |
| C11 | C10 | C15 | 113.8° | 110.8° |
| C11 | C10 | H10 | 110.5° | 110.8° |
| C10 | C11 | C13 | 108.2° | 110.3° |
| C10 | C11 | H11 | 114.8° | 110.3° |
| C15 | C10 | H10 | 105.2° | 110.7° |
| C10 | C15 | H151 | 108.9° | 109.5° |
| C10 | C15 | H152 | 112.4° | 109.5° |
| C10 | C15 | H153 | 112.4° | 109.5° |
| C13 | C11 | H11 | 106.7° | 110.2° |
| C11 | C13 | C12 | 111.0° | 109.5° |
| C11 | C13 | C14 | 112.4° | 109.5° |
| C11 | C13 | H13 | 104.8° | 109.4° |
| C12 | C13 | C14 | 103.9° | 109.5° |
| C12 | C13 | H13 | 113.2° | 109.5° |
| C13 | C12 | H121 | 111.0° | 109.4° |
| C13 | C12 | H122 | 111.6° | 109.4° |
| C13 | C12 | H123 | 111.6° | 109.4° |
| C14 | C13 | H13 | 111.8° | 109.4° |
| C13 | C14 | H141 | 112.4° | 109.4° |
| C13 | C14 | H142 | 111.2° | 109.5° |
| C13 | C14 | H143 | 111.2° | 109.4° |
| H121 | C12 | H122 | 111.6° | 109.5° |
| H121 | C12 | H123 | 111.6° | 109.5° |
| H122 | C12 | H123 | 98.8° | 109.5° |
| H141 | C14 | H142 | 111.1° | 109.5° |
| H141 | C14 | H143 | 111.1° | 109.5° |
| H142 | C14 | H143 | 99.2° | 109.5° |
| H151 | C15 | H152 | 112.4° | 109.5° |
| H151 | C15 | H153 | 112.4° | 109.5° |
| H152 | C15 | H153 | 98.0° | 109.4° |
| H161 | C16 | H162 | 109.2° | 109.5° |
| H161 | C16 | H163 | 109.3° | 109.5° |
| H162 | C16 | H163 | 100.8° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.3° |
| H172 | C17 | H173 | 100.8° | 109.5° |
| H71 | C7 | H72 | 109.6° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 100.6° | 109.5° |
| C18 | C8 | C6 | 110.4° | 109.5° |
| C18 | C8 | H81 | 111.9° | 109.4° |
| C18 | C8 | H82 | 111.8° | 109.4° |
| C8 | C18 | C19 | 110.0° | 109.5° |
| C8 | C18 | H181 | 112.0° | 109.5° |
| C8 | C18 | H182 | 112.0° | 109.5° |
| C6 | C8 | H81 | 111.8° | 109.6° |
| C6 | C8 | H82 | 111.9° | 109.4° |
| C8 | C6 | O | 117.7° | 120.0° |
| H81 | C8 | H82 | 98.6° | 109.5° |
| C19 | C18 | H181 | 112.0° | 109.4° |
| C19 | C18 | H182 | 112.0° | 109.5° |
| C18 | C19 | O2 | 120.3° | 120.0° |
| C18 | C19 | O3 | 118.7° | 120.0° |
| H181 | C18 | H182 | 98.4° | 109.5° |
| O2 | C19 | O3 | 121.0° | 120.0° |
| C19 | O3 | HO3 | 118.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | C7 | 178.2° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 16.4° | 0.0° |
| C1 | C2 | C3 | C9 | 171.1° | 180.0° |
| C2 | C1 | C | C5 | 4.2° | 0.1° |
| C2 | C1 | C | C6 | 175.5° | 180.0° |
| C2 | C1 | C7 | H71 | 179.9° | 96.8° |
| C2 | C1 | C7 | H72 | 54.7° | 143.3° |
| C2 | C1 | C7 | H73 | 54.7° | 23.2° |
| C | C1 | C2 | C3 | 8.9° | 0.0° |
| C | C1 | C2 | H2 | 171.2° | 180.0° |
| C1 | C | C5 | C4 | 6.5° | 0.1° |
| C1 | C | C5 | C6 | 179.7° | 179.9° |
| C1 | C | C5 | H5 | 173.5° | 180.0° |
| C | C1 | C7 | H71 | 1.8° | 83.2° |
| C | C1 | C7 | H72 | 123.5° | 36.7° |
| C | C1 | C7 | H73 | 127.0° | 156.8° |
| C1 | C | C6 | C8 | 158.6° | 174.4° |
| C1 | C | C6 | O | 30.1° | 5.7° |
| C7 | C1 | C2 | C3 | 172.8° | 180.0° |
| C7 | C1 | C2 | H2 | 7.2° | 0.0° |
| C7 | C1 | C | C5 | 177.6° | 179.9° |
| C7 | C1 | C | C6 | 2.8° | 0.0° |
| C1 | C7 | H71 | H72 | 125.3° | 120.0° |
| C1 | C7 | H71 | H73 | 125.2° | 120.0° |
| C1 | C7 | H72 | H73 | 115.3° | 120.0° |
| C2 | C3 | C4 | C9 | 157.8° | 180.0° |
| C2 | C3 | C4 | C5 | 19.1° | 0.1° |
| C2 | C3 | C4 | C11 | 177.5° | 180.0° |
| C2 | C3 | C9 | C10 | 177.9° | 162.8° |
| C2 | C3 | C9 | C16 | 71.7° | 43.9° |
| C2 | C3 | C9 | C17 | 44.0° | 78.3° |
| H2 | C2 | C3 | C4 | 163.6° | 180.0° |
| H2 | C2 | C3 | C9 | 8.9° | 0.0° |
| C3 | C4 | C5 | C11 | 159.3° | 179.9° |
| C3 | C4 | C5 | C | 14.1° | 0.1° |
| C3 | C4 | C5 | H5 | 165.9° | 180.0° |
| C4 | C3 | C9 | C10 | 21.4° | 17.2° |
| C4 | C3 | C9 | C16 | 131.8° | 136.2° |
| C4 | C3 | C9 | C17 | 112.5° | 101.7° |
| C3 | C4 | C11 | C10 | 11.4° | 17.3° |
| C3 | C4 | C11 | C13 | 105.5° | 101.7° |
| C3 | C4 | C11 | H11 | 135.2° | 136.3° |
| C9 | C3 | C4 | C5 | 176.9° | 179.9° |
| C9 | C3 | C4 | C11 | 19.7° | 0.0° |
| C3 | C9 | C10 | C16 | 123.0° | 118.9° |
| C3 | C9 | C10 | C17 | 135.0° | 119.0° |
| C3 | C9 | C16 | C17 | 126.0° | 122.2° |
| C3 | C9 | C10 | C11 | 12.2° | 26.4° |
| C3 | C9 | C10 | C15 | 133.6° | 91.9° |
| C3 | C9 | C10 | H10 | 108.5° | 144.7° |
| C3 | C9 | C16 | H161 | 180.0° | 64.3° |
| C3 | C9 | C16 | H162 | 54.7° | 55.8° |
| C3 | C9 | C16 | H163 | 54.7° | 175.7° |
| C3 | C9 | C17 | H171 | 180.0° | 71.9° |
| C3 | C9 | C17 | H172 | 54.8° | 168.1° |
| C3 | C9 | C17 | H173 | 54.8° | 48.0° |
| C4 | C5 | C | H5 | 180.0° | 179.8° |
| C4 | C5 | C | C6 | 173.2° | 179.9° |
| C5 | C4 | C11 | C10 | 172.9° | 162.9° |
| C5 | C4 | C11 | C13 | 56.0° | 78.1° |
| C5 | C4 | C11 | H11 | 63.3° | 43.8° |
| C11 | C4 | C5 | C | 173.4° | 180.0° |
| C11 | C4 | C5 | H5 | 6.6° | 0.2° |
| C4 | C11 | C10 | C9 | 0.9° | 26.5° |
| C4 | C11 | C10 | C13 | 119.8° | 119.0° |
| C4 | C11 | C10 | H11 | 121.2° | 119.0° |
| C4 | C11 | C10 | C15 | 119.0° | 91.9° |
| C4 | C11 | C10 | H10 | 122.9° | 144.7° |
| C4 | C11 | C13 | H11 | 121.6° | 122.1° |
| C4 | C11 | C13 | C12 | 66.4° | 177.1° |
| C4 | C11 | C13 | C14 | 177.8° | 57.1° |
| C4 | C11 | C13 | H13 | 56.1° | 62.8° |
| C5 | C | C6 | C8 | 21.7° | 5.7° |
| C5 | C | C6 | O | 149.6° | 174.2° |
| H5 | C5 | C | C6 | 6.9° | 0.1° |
| C | C6 | C8 | C18 | 93.7° | 180.0° |
| C | C6 | C8 | O | 171.4° | 179.9° |
| C | C6 | C8 | H81 | 141.0° | 59.9° |
| C | C6 | C8 | H82 | 31.5° | 60.1° |
| C10 | C9 | C16 | C17 | 116.4° | 122.0° |
| C9 | C10 | C11 | C15 | 118.1° | 118.4° |
| C9 | C10 | C11 | H10 | 123.8° | 118.2° |
| C9 | C10 | C15 | H10 | 124.0° | 123.5° |
| C9 | C10 | C11 | C13 | 120.7° | 92.6° |
| C9 | C10 | C11 | H11 | 120.2° | 145.5° |
| C9 | C10 | C15 | H151 | 180.0° | 174.6° |
| C9 | C10 | C15 | H152 | 54.8° | 65.4° |
| C9 | C10 | C15 | H153 | 54.7° | 54.5° |
| C10 | C9 | C16 | H161 | 62.4° | 180.0° |
| C10 | C9 | C16 | H162 | 62.9° | 60.0° |
| C10 | C9 | C16 | H163 | 172.3° | 60.0° |
| C10 | C9 | C17 | H171 | 48.2° | 172.4° |
| C10 | C9 | C17 | H172 | 173.3° | 52.4° |
| C10 | C9 | C17 | H173 | 77.1° | 67.8° |
| C16 | C9 | C10 | C11 | 135.2° | 145.4° |
| C16 | C9 | C10 | C15 | 103.3° | 27.0° |
| C16 | C9 | C10 | H10 | 14.5° | 96.4° |
| C9 | C16 | H161 | H162 | 125.3° | 120.0° |
| C9 | C16 | H161 | H163 | 125.3° | 120.0° |
| C9 | C16 | H162 | H163 | 115.1° | 120.0° |
| C16 | C9 | C17 | H171 | 53.8° | 50.3° |
| C16 | C9 | C17 | H172 | 71.4° | 69.7° |
| C16 | C9 | C17 | H173 | 179.0° | 170.2° |
| C17 | C9 | C10 | C11 | 122.8° | 92.6° |
| C17 | C9 | C10 | C15 | 1.4° | 149.1° |
| C17 | C9 | C10 | H10 | 116.5° | 25.6° |
| C17 | C9 | C16 | H161 | 54.1° | 58.0° |
| C17 | C9 | C16 | H162 | 179.3° | 178.0° |
| C17 | C9 | C16 | H163 | 71.2° | 62.0° |
| C9 | C17 | H171 | H172 | 125.2° | 120.0° |
| C9 | C17 | H171 | H173 | 125.2° | 120.0° |
| C9 | C17 | H172 | H173 | 115.2° | 120.1° |
| C11 | C10 | C15 | H10 | 121.0° | 123.4° |
| C10 | C11 | C13 | H11 | 124.0° | 122.0° |
| C10 | C11 | C13 | C12 | 179.2° | 66.9° |
| C10 | C11 | C13 | C14 | 63.4° | 173.0° |
| C10 | C11 | C13 | H13 | 58.3° | 53.1° |
| C11 | C10 | C15 | H151 | 65.0° | 61.5° |
| C11 | C10 | C15 | H152 | 169.8° | 178.5° |
| C11 | C10 | C15 | H153 | 60.3° | 58.6° |
| C15 | C10 | C11 | C13 | 121.2° | 149.0° |
| C15 | C10 | C11 | H11 | 2.1° | 27.1° |
| C10 | C15 | H151 | H152 | 125.2° | 120.0° |
| C10 | C15 | H151 | H153 | 125.3° | 120.0° |
| C10 | C15 | H152 | H153 | 118.4° | 120.0° |
| H10 | C10 | C11 | C13 | 3.1° | 25.6° |
| H10 | C10 | C11 | H11 | 115.9° | 96.3° |
| H10 | C10 | C15 | H151 | 56.0° | 62.0° |
| H10 | C10 | C15 | H152 | 69.2° | 58.1° |
| H10 | C10 | C15 | H153 | 178.7° | 178.0° |
| C11 | C13 | C12 | C14 | 121.0° | 120.0° |
| C11 | C13 | C12 | H13 | 117.5° | 120.0° |
| C11 | C13 | C14 | H13 | 117.5° | 119.9° |
| C11 | C13 | C12 | H121 | 180.0° | 180.0° |
| C11 | C13 | C12 | H122 | 54.8° | 60.0° |
| C11 | C13 | C12 | H123 | 54.8° | 60.1° |
| C11 | C13 | C14 | H141 | 180.0° | 60.0° |
| C11 | C13 | C14 | H142 | 54.8° | 59.9° |
| C11 | C13 | C14 | H143 | 54.7° | 180.0° |
| H11 | C11 | C13 | C12 | 55.2° | 55.1° |
| H11 | C11 | C13 | C14 | 60.6° | 64.9° |
| H11 | C11 | C13 | H13 | 177.7° | 175.1° |
| C12 | C13 | C14 | H13 | 122.4° | 120.0° |
| C13 | C12 | H121 | H122 | 125.2° | 119.9° |
| C13 | C12 | H121 | H123 | 125.3° | 120.0° |
| C13 | C12 | H122 | H123 | 117.6° | 120.0° |
| C12 | C13 | C14 | H141 | 59.9° | 60.0° |
| C12 | C13 | C14 | H142 | 174.9° | 180.0° |
| C12 | C13 | C14 | H143 | 65.4° | 60.0° |
| C14 | C13 | C12 | H121 | 59.0° | 60.0° |
| C14 | C13 | C12 | H122 | 66.2° | 180.0° |
| C14 | C13 | C12 | H123 | 175.8° | 60.0° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.0° |
| C13 | C14 | H142 | H143 | 117.1° | 120.0° |
| H13 | C13 | C12 | H121 | 62.5° | 60.0° |
| H13 | C13 | C12 | H122 | 172.3° | 60.0° |
| H13 | C13 | C12 | H123 | 62.7° | 180.0° |
| H13 | C13 | C14 | H141 | 62.4° | 180.0° |
| H13 | C13 | C14 | H142 | 62.8° | 60.0° |
| H13 | C13 | C14 | H143 | 172.3° | 60.1° |
| H121 | C12 | H122 | H123 | 117.5° | 120.1° |
| H141 | C14 | H142 | H143 | 116.9° | 120.1° |
| H151 | C15 | H152 | H153 | 118.3° | 120.0° |
| H161 | C16 | H162 | H163 | 115.0° | 120.1° |
| H171 | C17 | H172 | H173 | 115.3° | 119.9° |
| H71 | C7 | H72 | H73 | 115.3° | 119.9° |
| C18 | C8 | C6 | H81 | 125.3° | 120.0° |
| C18 | C8 | C6 | H82 | 125.2° | 120.0° |
| C18 | C8 | H81 | H82 | 117.7° | 119.9° |
| C8 | C18 | C19 | H181 | 125.3° | 120.0° |
| C8 | C18 | C19 | H182 | 125.3° | 120.1° |
| C8 | C18 | H181 | H182 | 117.9° | 120.0° |
| C8 | C18 | C19 | O2 | 143.3° | 0.1° |
| C8 | C18 | C19 | O3 | 37.1° | 180.0° |
| C18 | C8 | C6 | O | 94.9° | 0.1° |
| C6 | C8 | H81 | H82 | 117.8° | 120.0° |
| C6 | C8 | C18 | C19 | 100.8° | 179.9° |
| C6 | C8 | C18 | H181 | 24.4° | 60.0° |
| C6 | C8 | C18 | H182 | 133.9° | 60.1° |
| H81 | C8 | C18 | C19 | 24.4° | 60.0° |
| H81 | C8 | C18 | H181 | 149.7° | 179.9° |
| H81 | C8 | C18 | H182 | 100.9° | 60.1° |
| H81 | C8 | C6 | O | 30.4° | 120.0° |
| H82 | C8 | C18 | C19 | 133.9° | 60.0° |
| H82 | C8 | C18 | H181 | 100.8° | 60.0° |
| H82 | C8 | C18 | H182 | 8.6° | 180.0° |
| H82 | C8 | C6 | O | 139.9° | 120.0° |
| C19 | C18 | H181 | H182 | 117.9° | 120.0° |
| C18 | C19 | O2 | O3 | 179.6° | 179.9° |
| C18 | C19 | O3 | HO3 | 179.9° | 180.0° |
| H181 | C18 | C19 | O2 | 91.5° | 120.1° |
| H181 | C18 | C19 | O3 | 88.1° | 60.0° |
| H182 | C18 | C19 | O2 | 18.0° | 120.0° |
| H182 | C18 | C19 | O3 | 162.4° | 59.9° |
| O2 | C19 | O3 | HO3 | 0.3° | 0.1° |
