RE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C9 | sing | 1.51Å | 1.55Å | |
| C1 | C16 | sing | 1.53Å | 1.51Å | |
| C1 | C17 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.52Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.47Å | 1.45Å | |
| C5 | C9 | doub | 1.33Å | 1.37Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C18 | doub | 1.33Å | 1.35Å | |
| C7 | C8 | sing | 1.54Å | 1.55Å | |
| C7 | C10 | sing | 1.53Å | 1.57Å | |
| C7 | C19 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.33Å | 1.36Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.46Å | 1.48Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.35Å | 1.33Å | |
| C13 | C20 | sing | 1.51Å | 1.47Å | |
| C14 | C15 | sing | 1.42Å | 1.46Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | O1 | doub | 1.22Å | 1.24Å | |
| C15 | O2 | sing | 1.35Å | 1.25Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C18 | H182 | sing | 1.08Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C9 | 108.7° | 108.8° |
| C2 | C1 | C16 | 110.0° | 109.6° |
| C2 | C1 | C17 | 111.2° | 109.6° |
| C1 | C2 | C3 | 112.0° | 109.1° |
| C1 | C2 | H21 | 111.3° | 109.5° |
| C1 | C2 | H22 | 111.3° | 109.6° |
| C9 | C1 | C16 | 110.4° | 109.6° |
| C9 | C1 | C17 | 110.0° | 109.6° |
| C1 | C9 | C5 | 123.6° | 124.4° |
| C1 | C9 | C8 | 125.0° | 124.9° |
| C16 | C1 | C17 | 106.6° | 109.7° |
| C1 | C16 | H161 | 110.0° | 109.5° |
| C1 | C16 | H162 | 112.1° | 109.4° |
| C1 | C16 | H163 | 112.0° | 109.5° |
| C1 | C17 | H171 | 111.2° | 109.5° |
| C1 | C17 | H172 | 111.6° | 109.4° |
| C1 | C17 | H173 | 111.6° | 109.5° |
| C3 | C2 | H21 | 111.3° | 109.5° |
| C3 | C2 | H22 | 111.3° | 109.6° |
| C2 | C3 | C4 | 112.8° | 109.2° |
| C2 | C3 | H31 | 111.0° | 109.5° |
| C2 | C3 | H32 | 111.0° | 109.5° |
| H21 | C2 | H22 | 99.0° | 109.6° |
| C4 | C3 | H31 | 111.0° | 109.5° |
| C4 | C3 | H32 | 111.0° | 109.5° |
| C3 | C4 | C5 | 110.3° | 108.8° |
| C3 | C4 | H41 | 111.9° | 109.6° |
| C3 | C4 | H42 | 111.9° | 109.6° |
| H31 | C3 | H32 | 99.4° | 109.5° |
| C5 | C4 | H41 | 111.9° | 109.6° |
| C5 | C4 | H42 | 111.9° | 109.6° |
| C4 | C5 | C6 | 124.0° | 124.4° |
| C4 | C5 | C9 | 125.2° | 123.8° |
| H41 | C4 | H42 | 98.5° | 109.6° |
| C6 | C5 | C9 | 110.8° | 111.8° |
| C5 | C6 | C7 | 108.7° | 107.5° |
| C5 | C6 | C18 | 125.8° | 126.2° |
| C5 | C9 | C8 | 111.4° | 110.7° |
| C7 | C6 | C18 | 125.5° | 126.3° |
| C6 | C7 | C8 | 104.0° | 104.2° |
| C6 | C7 | C10 | 108.7° | 110.6° |
| C6 | C7 | C19 | 116.3° | 110.5° |
| C6 | C18 | H181 | 125.5° | 120.0° |
| C6 | C18 | H182 | 125.8° | 120.1° |
| C8 | C7 | C10 | 112.2° | 110.5° |
| C8 | C7 | C19 | 106.5° | 110.5° |
| C7 | C8 | C9 | 105.0° | 105.8° |
| C7 | C8 | H81 | 113.9° | 110.1° |
| C7 | C8 | H82 | 113.9° | 110.1° |
| C10 | C7 | C19 | 109.1° | 110.4° |
| C7 | C10 | C11 | 106.7° | 109.5° |
| C7 | C10 | H101 | 113.3° | 109.5° |
| C7 | C10 | H102 | 113.3° | 109.5° |
| C7 | C19 | H191 | 116.3° | 109.5° |
| C7 | C19 | H192 | 109.7° | 109.4° |
| C7 | C19 | H193 | 109.7° | 109.5° |
| C9 | C8 | H81 | 113.9° | 110.2° |
| C9 | C8 | H82 | 113.9° | 110.2° |
| H81 | C8 | H82 | 96.5° | 110.2° |
| C11 | C10 | H101 | 113.2° | 109.4° |
| C11 | C10 | H102 | 113.2° | 109.4° |
| C10 | C11 | C12 | 122.3° | 120.0° |
| C10 | C11 | H11 | 124.1° | 120.0° |
| H101 | C10 | H102 | 97.2° | 109.5° |
| C12 | C11 | H11 | 113.6° | 120.0° |
| C11 | C12 | C13 | 127.2° | 120.0° |
| C11 | C12 | H12 | 111.8° | 120.0° |
| C13 | C12 | H12 | 120.9° | 119.9° |
| C12 | C13 | C14 | 116.4° | 120.0° |
| C12 | C13 | C20 | 119.0° | 120.0° |
| C14 | C13 | C20 | 124.5° | 120.0° |
| C13 | C14 | C15 | 128.2° | 120.0° |
| C13 | C14 | H14 | 110.6° | 120.0° |
| C13 | C20 | H201 | 119.1° | 109.5° |
| C13 | C20 | H202 | 108.8° | 109.5° |
| C13 | C20 | H203 | 108.8° | 109.5° |
| C15 | C14 | H14 | 121.2° | 120.1° |
| C14 | C15 | O1 | 120.1° | 120.0° |
| C14 | C15 | O2 | 118.1° | 120.0° |
| O1 | C15 | O2 | 121.8° | 120.0° |
| C15 | O2 | HO2 | 118.1° | 106.7° |
| H161 | C16 | H162 | 112.0° | 109.5° |
| H161 | C16 | H163 | 111.9° | 109.5° |
| H162 | C16 | H163 | 98.4° | 109.4° |
| H171 | C17 | H172 | 111.6° | 109.5° |
| H171 | C17 | H173 | 111.6° | 109.5° |
| H172 | C17 | H173 | 98.9° | 109.5° |
| H181 | C18 | H182 | 108.7° | 120.0° |
| H191 | C19 | H192 | 109.7° | 109.5° |
| H191 | C19 | H193 | 109.7° | 109.5° |
| H192 | C19 | H193 | 100.5° | 109.4° |
| H201 | C20 | H202 | 108.8° | 109.4° |
| H201 | C20 | H203 | 108.7° | 109.5° |
| H202 | C20 | H203 | 101.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C9 | C16 | 120.7° | 119.8° |
| C2 | C1 | C9 | C17 | 122.0° | 119.8° |
| C2 | C1 | C16 | C17 | 120.6° | 120.3° |
| C1 | C2 | C3 | H21 | 125.2° | 119.8° |
| C1 | C2 | C3 | H22 | 125.3° | 119.9° |
| C1 | C2 | H21 | H22 | 117.2° | 120.2° |
| C1 | C2 | C3 | C4 | 62.4° | 69.8° |
| C1 | C2 | C3 | H31 | 172.4° | 170.3° |
| C1 | C2 | C3 | H32 | 62.8° | 50.2° |
| C2 | C1 | C9 | C5 | 17.4° | 16.6° |
| C2 | C1 | C9 | C8 | 162.0° | 163.5° |
| C2 | C1 | C16 | H161 | 180.0° | 59.9° |
| C2 | C1 | C16 | H162 | 54.7° | 60.1° |
| C2 | C1 | C16 | H163 | 54.8° | 180.0° |
| C2 | C1 | C17 | H171 | 180.0° | 60.0° |
| C2 | C1 | C17 | H172 | 54.8° | 180.0° |
| C2 | C1 | C17 | H173 | 54.8° | 60.1° |
| C9 | C1 | C16 | C17 | 119.4° | 120.4° |
| C9 | C1 | C2 | C3 | 46.2° | 49.7° |
| C9 | C1 | C2 | H21 | 79.0° | 70.1° |
| C9 | C1 | C2 | H22 | 171.5° | 169.7° |
| C1 | C9 | C5 | C4 | 0.7° | 0.1° |
| C1 | C9 | C5 | C6 | 179.6° | 180.0° |
| C1 | C9 | C5 | C8 | 179.5° | 180.0° |
| C1 | C9 | C8 | C7 | 178.0° | 179.9° |
| C1 | C9 | C8 | H81 | 56.7° | 60.9° |
| C1 | C9 | C8 | H82 | 52.8° | 61.0° |
| C9 | C1 | C16 | H161 | 60.0° | 179.2° |
| C9 | C1 | C16 | H162 | 174.7° | 59.2° |
| C9 | C1 | C16 | H163 | 65.2° | 60.7° |
| C9 | C1 | C17 | H171 | 59.5° | 179.3° |
| C9 | C1 | C17 | H172 | 65.7° | 60.7° |
| C9 | C1 | C17 | H173 | 175.2° | 59.2° |
| C16 | C1 | C2 | C3 | 167.2° | 70.1° |
| C16 | C1 | C2 | H21 | 41.9° | 170.1° |
| C16 | C1 | C2 | H22 | 67.5° | 49.8° |
| C16 | C1 | C9 | C5 | 138.1° | 103.2° |
| C16 | C1 | C9 | C8 | 41.3° | 76.8° |
| C1 | C16 | H161 | H162 | 125.3° | 120.0° |
| C1 | C16 | H161 | H163 | 125.2° | 120.1° |
| C1 | C16 | H162 | H163 | 118.0° | 120.0° |
| C16 | C1 | C17 | H171 | 60.1° | 60.3° |
| C16 | C1 | C17 | H172 | 174.6° | 59.7° |
| C16 | C1 | C17 | H173 | 65.1° | 179.6° |
| C17 | C1 | C2 | C3 | 75.0° | 169.5° |
| C17 | C1 | C2 | H21 | 159.7° | 49.7° |
| C17 | C1 | C2 | H22 | 50.3° | 70.5° |
| C17 | C1 | C9 | C5 | 104.6° | 136.3° |
| C17 | C1 | C9 | C8 | 76.0° | 43.7° |
| C17 | C1 | C16 | H161 | 59.4° | 60.4° |
| C17 | C1 | C16 | H162 | 65.9° | 179.6° |
| C17 | C1 | C16 | H163 | 175.4° | 59.7° |
| C1 | C17 | H171 | H172 | 125.2° | 120.0° |
| C1 | C17 | H171 | H173 | 125.2° | 120.0° |
| C1 | C17 | H172 | H173 | 117.5° | 120.0° |
| C3 | C2 | H21 | H22 | 117.2° | 120.2° |
| C2 | C3 | C4 | H31 | 125.2° | 119.9° |
| C2 | C3 | C4 | H32 | 125.2° | 119.9° |
| C2 | C3 | H31 | H32 | 116.9° | 120.2° |
| C2 | C3 | C4 | C5 | 42.5° | 50.2° |
| C2 | C3 | C4 | H41 | 82.7° | 69.6° |
| C2 | C3 | C4 | H42 | 167.7° | 170.0° |
| H21 | C2 | C3 | C4 | 62.8° | 50.0° |
| H21 | C2 | C3 | H31 | 62.4° | 69.9° |
| H21 | C2 | C3 | H32 | 171.9° | 169.9° |
| H22 | C2 | C3 | C4 | 172.3° | 170.3° |
| H22 | C2 | C3 | H31 | 47.1° | 50.4° |
| H22 | C2 | C3 | H32 | 62.5° | 69.8° |
| C4 | C3 | H31 | H32 | 116.9° | 120.1° |
| C3 | C4 | C5 | H41 | 125.3° | 119.8° |
| C3 | C4 | C5 | H42 | 125.3° | 119.8° |
| C3 | C4 | H41 | H42 | 117.9° | 120.4° |
| C3 | C4 | C5 | C6 | 167.4° | 163.1° |
| C3 | C4 | C5 | C9 | 13.0° | 16.9° |
| H31 | C3 | C4 | C5 | 167.7° | 170.1° |
| H31 | C3 | C4 | H41 | 42.5° | 50.3° |
| H31 | C3 | C4 | H42 | 67.0° | 70.1° |
| H32 | C3 | C4 | C5 | 82.8° | 69.8° |
| H32 | C3 | C4 | H41 | 152.0° | 170.4° |
| H32 | C3 | C4 | H42 | 42.5° | 50.1° |
| C5 | C4 | H41 | H42 | 117.8° | 120.3° |
| C4 | C5 | C6 | C9 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 179.2° | 179.9° |
| C4 | C5 | C6 | C18 | 1.6° | 0.0° |
| C4 | C5 | C9 | C8 | 178.8° | 179.9° |
| H41 | C4 | C5 | C6 | 67.4° | 77.1° |
| H41 | C4 | C5 | C9 | 112.2° | 102.9° |
| H42 | C4 | C5 | C6 | 42.1° | 43.3° |
| H42 | C4 | C5 | C9 | 138.3° | 136.7° |
| C5 | C6 | C7 | C18 | 179.2° | 179.8° |
| C5 | C6 | C7 | C8 | 2.6° | 0.2° |
| C5 | C6 | C7 | C10 | 122.2° | 118.6° |
| C5 | C6 | C7 | C19 | 114.2° | 118.8° |
| C6 | C5 | C9 | C8 | 0.9° | 0.1° |
| C5 | C6 | C18 | H181 | 0.9° | 5.1° |
| C5 | C6 | C18 | H182 | 180.0° | 175.0° |
| C9 | C5 | C6 | C7 | 1.1° | 0.1° |
| C9 | C5 | C6 | C18 | 178.1° | 180.0° |
| C5 | C9 | C8 | C7 | 2.5° | 0.0° |
| C5 | C9 | C8 | H81 | 122.7° | 119.1° |
| C5 | C9 | C8 | H82 | 127.8° | 119.0° |
| C6 | C7 | C8 | C10 | 117.3° | 118.8° |
| C6 | C7 | C8 | C19 | 123.4° | 118.7° |
| C6 | C7 | C10 | C19 | 127.8° | 122.6° |
| C6 | C7 | C8 | C9 | 2.9° | 0.1° |
| C6 | C7 | C8 | H81 | 122.4° | 119.2° |
| C6 | C7 | C8 | H82 | 128.3° | 119.0° |
| C6 | C7 | C10 | C11 | 174.2° | 179.9° |
| C6 | C7 | C10 | H101 | 60.6° | 60.1° |
| C6 | C7 | C10 | H102 | 48.9° | 60.0° |
| C7 | C6 | C18 | H181 | 179.9° | 175.1° |
| C7 | C6 | C18 | H182 | 0.9° | 4.8° |
| C6 | C7 | C19 | H191 | 180.0° | 63.3° |
| C6 | C7 | C19 | H192 | 54.8° | 56.7° |
| C6 | C7 | C19 | H193 | 54.8° | 176.6° |
| C18 | C6 | C7 | C8 | 176.6° | 180.0° |
| C18 | C6 | C7 | C10 | 57.0° | 61.2° |
| C18 | C6 | C7 | C19 | 66.6° | 61.3° |
| C6 | C18 | H181 | H182 | 179.3° | 179.9° |
| C8 | C7 | C10 | C19 | 117.8° | 122.6° |
| C7 | C8 | C9 | H81 | 125.2° | 119.0° |
| C7 | C8 | C9 | H82 | 125.3° | 119.0° |
| C7 | C8 | H81 | H82 | 119.7° | 121.7° |
| C8 | C7 | C10 | C11 | 71.4° | 65.1° |
| C8 | C7 | C10 | H101 | 53.8° | 174.9° |
| C8 | C7 | C10 | H102 | 163.3° | 54.9° |
| C8 | C7 | C19 | H191 | 64.7° | 178.1° |
| C8 | C7 | C19 | H192 | 170.1° | 58.1° |
| C8 | C7 | C19 | H193 | 60.6° | 61.8° |
| C10 | C7 | C8 | C9 | 120.2° | 118.7° |
| C10 | C7 | C8 | H81 | 5.1° | 0.5° |
| C10 | C7 | C8 | H82 | 114.5° | 122.2° |
| C7 | C10 | C11 | H101 | 125.3° | 120.0° |
| C7 | C10 | C11 | H102 | 125.3° | 120.0° |
| C7 | C10 | H101 | H102 | 119.2° | 120.1° |
| C7 | C10 | C11 | C12 | 120.9° | 124.4° |
| C7 | C10 | C11 | H11 | 59.1° | 55.7° |
| C10 | C7 | C19 | H191 | 56.6° | 59.3° |
| C10 | C7 | C19 | H192 | 68.6° | 179.3° |
| C10 | C7 | C19 | H193 | 178.1° | 60.8° |
| C19 | C7 | C8 | C9 | 120.5° | 118.8° |
| C19 | C7 | C8 | H81 | 114.2° | 122.1° |
| C19 | C7 | C8 | H82 | 4.8° | 0.3° |
| C19 | C7 | C10 | C11 | 46.4° | 57.5° |
| C19 | C7 | C10 | H101 | 171.6° | 62.5° |
| C19 | C7 | C10 | H102 | 78.9° | 177.4° |
| C7 | C19 | H191 | H192 | 125.2° | 120.0° |
| C7 | C19 | H191 | H193 | 125.3° | 120.1° |
| C7 | C19 | H192 | H193 | 115.5° | 119.9° |
| C9 | C8 | H81 | H82 | 119.8° | 121.9° |
| C11 | C10 | H101 | H102 | 119.1° | 119.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 175.2° | 180.0° |
| C10 | C11 | C12 | H12 | 4.8° | 0.0° |
| H101 | C10 | C11 | C12 | 113.8° | 115.6° |
| H101 | C10 | C11 | H11 | 66.2° | 64.3° |
| H102 | C10 | C11 | C12 | 4.4° | 4.4° |
| H102 | C10 | C11 | H11 | 175.6° | 175.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.7° | 180.0° |
| C11 | C12 | C13 | C20 | 0.5° | 0.1° |
| H11 | C11 | C12 | C13 | 4.8° | 0.1° |
| H11 | C11 | C12 | H12 | 175.2° | 179.9° |
| C12 | C13 | C14 | C20 | 179.1° | 179.9° |
| C12 | C13 | C14 | C15 | 179.2° | 163.0° |
| C12 | C13 | C14 | H14 | 0.8° | 17.0° |
| C12 | C13 | C20 | H201 | 180.0° | 173.2° |
| C12 | C13 | C20 | H202 | 54.8° | 53.3° |
| C12 | C13 | C20 | H203 | 54.8° | 66.8° |
| H12 | C12 | C13 | C14 | 0.3° | 0.1° |
| H12 | C12 | C13 | C20 | 179.4° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | O1 | 43.6° | 6.8° |
| C13 | C14 | C15 | O2 | 136.8° | 173.2° |
| C14 | C13 | C20 | H201 | 0.9° | 6.7° |
| C14 | C13 | C20 | H202 | 126.1° | 126.6° |
| C14 | C13 | C20 | H203 | 124.3° | 113.3° |
| C20 | C13 | C14 | C15 | 0.0° | 17.1° |
| C20 | C13 | C14 | H14 | 180.0° | 162.9° |
| C13 | C20 | H201 | H202 | 125.3° | 120.0° |
| C13 | C20 | H201 | H203 | 125.2° | 120.0° |
| C13 | C20 | H202 | H203 | 114.5° | 120.0° |
| C14 | C15 | O1 | O2 | 179.7° | 180.0° |
| C14 | C15 | O2 | HO2 | 180.0° | 180.0° |
| H14 | C14 | C15 | O1 | 136.4° | 173.2° |
| H14 | C14 | C15 | O2 | 43.2° | 6.8° |
| O1 | C15 | O2 | HO2 | 0.4° | 0.0° |
| H161 | C16 | H162 | H163 | 117.8° | 120.0° |
| H171 | C17 | H172 | H173 | 117.5° | 120.0° |
| H191 | C19 | H192 | H193 | 115.5° | 120.1° |
| H201 | C20 | H202 | H203 | 114.4° | 120.0° |
