1D4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | sing | 1.43Å | 1.44Å | |
| C12 | C5 | sing | 1.53Å | 1.53Å | |
| C12 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | O2 | sing | 1.43Å | 1.46Å | |
| C5 | O1 | sing | 1.43Å | 1.44Å | |
| O2 | C6 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| N | C10 | sing | 1.47Å | 1.46Å | |
| N | C11 | sing | 1.47Å | 1.46Å | |
| O1 | C4 | sing | 1.43Å | 1.46Å | |
| C4 | C13 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | 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 | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | C5 | 110.8° | 109.5° |
| O3 | C12 | C9 | 105.6° | 109.5° |
| C12 | O3 | H3 | 109.5° | 114.0° |
| O3 | C12 | H12 | 111.9° | 109.6° |
| C5 | C12 | C9 | 111.6° | 109.2° |
| C12 | C5 | O2 | 112.0° | 109.4° |
| C12 | C5 | O1 | 110.8° | 109.5° |
| C5 | C12 | H12 | 106.0° | 109.5° |
| C12 | C5 | H5 | 106.9° | 109.5° |
| C12 | C9 | C8 | 111.9° | 109.0° |
| C12 | C9 | N | 107.2° | 109.5° |
| C9 | C12 | H12 | 111.1° | 109.6° |
| C12 | C9 | H9 | 111.1° | 109.6° |
| O2 | C5 | O1 | 109.7° | 109.5° |
| C5 | O2 | C6 | 116.1° | 114.1° |
| O2 | C5 | H5 | 108.0° | 109.5° |
| C5 | O1 | C4 | 123.3° | 114.0° |
| O1 | C5 | H5 | 109.4° | 109.5° |
| O2 | C6 | C7 | 110.7° | 109.5° |
| O2 | C6 | C8 | 111.5° | 109.4° |
| O2 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | C8 | 113.1° | 109.5° |
| C7 | C6 | H6 | 106.8° | 109.5° |
| C6 | C7 | H71C | 109.5° | 109.5° |
| C6 | C7 | H72C | 109.5° | 109.5° |
| C6 | C7 | H73C | 109.4° | 109.5° |
| C6 | C8 | C9 | 107.1° | 109.2° |
| C8 | C6 | H6 | 105.9° | 109.5° |
| C6 | C8 | H81C | 110.3° | 109.5° |
| C6 | C8 | H82C | 110.8° | 109.6° |
| C8 | C9 | N | 114.1° | 109.6° |
| C8 | C9 | H9 | 103.7° | 109.5° |
| C9 | C8 | H81C | 110.3° | 109.5° |
| C9 | C8 | H82C | 110.8° | 109.5° |
| C9 | N | C10 | 116.3° | 111.0° |
| C9 | N | C11 | 106.4° | 111.0° |
| N | C9 | H9 | 108.8° | 109.6° |
| C10 | N | C11 | 103.5° | 111.0° |
| N | C10 | H101 | 109.5° | 109.5° |
| N | C10 | H102 | 109.5° | 109.5° |
| N | C10 | H103 | 109.5° | 109.5° |
| N | C11 | H111 | 109.5° | 109.5° |
| N | C11 | H112 | 109.5° | 109.4° |
| N | C11 | H113 | 109.5° | 109.5° |
| O1 | C4 | C13 | 116.6° | 109.5° |
| O1 | C4 | C3 | 108.4° | 109.7° |
| O1 | C4 | H4 | 103.9° | 109.2° |
| C13 | C4 | C3 | 104.7° | 109.8° |
| C4 | C13 | C14 | 111.7° | 109.6° |
| C13 | C4 | H4 | 107.7° | 109.2° |
| C4 | C13 | H131 | 108.7° | 109.4° |
| C4 | C13 | H132 | 108.3° | 109.6° |
| C4 | C3 | C2 | 115.7° | 109.9° |
| C3 | C4 | H4 | 116.0° | 109.4° |
| C4 | C3 | H31C | 107.5° | 109.4° |
| C4 | C3 | H32C | 106.0° | 109.5° |
| C13 | C14 | C15 | 112.4° | 109.5° |
| C14 | C13 | H131 | 108.8° | 109.4° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C14 | H141 | 108.5° | 109.5° |
| C13 | C14 | H142 | 107.8° | 109.4° |
| C14 | C15 | C16 | 111.7° | 109.7° |
| C15 | C14 | H141 | 108.5° | 109.7° |
| C15 | C14 | H142 | 107.8° | 109.4° |
| C14 | C15 | H151 | 108.7° | 109.4° |
| C14 | C15 | H152 | 108.2° | 109.4° |
| C15 | C16 | C17 | 113.5° | 109.5° |
| C16 | C15 | H151 | 108.7° | 109.5° |
| C16 | C15 | H152 | 108.2° | 109.5° |
| C15 | C16 | H161 | 108.1° | 109.6° |
| C15 | C16 | H162 | 107.2° | 109.4° |
| C16 | C17 | C18 | 114.1° | 109.6° |
| C17 | C16 | H161 | 108.1° | 109.6° |
| C17 | C16 | H162 | 107.2° | 109.4° |
| C16 | C17 | H171 | 108.0° | 109.4° |
| C16 | C17 | H172 | 106.9° | 109.5° |
| C17 | C18 | C19 | 114.3° | 109.6° |
| C18 | C17 | H171 | 108.0° | 109.4° |
| C18 | C17 | H172 | 106.9° | 109.6° |
| C17 | C18 | H181 | 107.9° | 109.6° |
| C17 | C18 | H182 | 106.8° | 109.4° |
| C18 | C19 | C20 | 115.3° | 109.5° |
| C19 | C18 | H181 | 107.9° | 109.6° |
| C19 | C18 | H182 | 106.8° | 109.4° |
| C18 | C19 | H191 | 107.6° | 109.4° |
| C18 | C19 | H192 | 106.3° | 109.6° |
| C19 | C20 | C21 | 106.4° | 109.6° |
| C20 | C19 | H191 | 107.6° | 109.4° |
| C20 | C19 | H192 | 106.3° | 109.6° |
| C19 | C20 | H201 | 110.5° | 109.5° |
| C19 | C20 | H202 | 111.2° | 109.5° |
| C20 | C21 | C1 | 110.5° | 109.5° |
| C21 | C20 | H201 | 110.5° | 109.5° |
| C21 | C20 | H202 | 111.2° | 109.4° |
| C20 | C21 | H211 | 109.1° | 109.3° |
| C20 | C21 | H212 | 108.9° | 109.6° |
| C21 | C1 | C2 | 110.4° | 109.6° |
| C1 | C21 | H211 | 109.1° | 109.4° |
| C1 | C21 | H212 | 108.9° | 109.6° |
| C21 | C1 | H11C | 109.1° | 109.6° |
| C21 | C1 | H12C | 109.0° | 109.4° |
| C1 | C2 | C3 | 112.2° | 109.4° |
| C2 | C1 | H11C | 109.2° | 109.5° |
| C2 | C1 | H12C | 108.9° | 109.4° |
| C1 | C2 | H21C | 108.6° | 109.2° |
| C1 | C2 | H22C | 107.9° | 109.4° |
| C2 | C3 | H31C | 107.4° | 109.4° |
| C2 | C3 | H32C | 106.0° | 109.4° |
| C3 | C2 | H21C | 108.6° | 109.6° |
| C3 | C2 | H22C | 107.9° | 109.6° |
| H71C | C7 | H72C | 109.5° | 109.4° |
| H71C | C7 | H73C | 109.5° | 109.4° |
| H72C | C7 | H73C | 109.5° | 109.5° |
| H81C | C8 | H82C | 107.7° | 109.6° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H131 | C13 | H132 | 111.2° | 109.3° |
| H31C | C3 | H32C | 114.5° | 109.2° |
| H141 | C14 | H142 | 111.8° | 109.3° |
| H151 | C15 | H152 | 111.3° | 109.3° |
| H161 | C16 | H162 | 112.7° | 109.3° |
| H171 | C17 | H172 | 113.2° | 109.3° |
| H181 | C18 | H182 | 113.3° | 109.3° |
| H191 | C19 | H192 | 114.1° | 109.3° |
| H201 | C20 | H202 | 107.1° | 109.4° |
| H211 | C21 | H212 | 110.3° | 109.3° |
| H11C | C1 | H12C | 110.2° | 109.4° |
| H21C | C2 | H22C | 111.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | C5 | C9 | 117.4° | 119.9° |
| O3 | C12 | C5 | H12 | 121.6° | 120.2° |
| O3 | C12 | C9 | H12 | 121.6° | 120.2° |
| O3 | C12 | C5 | O2 | 164.9° | 177.5° |
| O3 | C12 | C5 | O1 | 72.3° | 62.5° |
| O3 | C12 | C9 | C8 | 174.1° | 176.8° |
| O3 | C12 | C9 | N | 60.1° | 63.3° |
| O3 | C12 | C5 | H5 | 46.7° | 57.5° |
| O3 | C12 | C9 | H9 | 58.6° | 57.0° |
| C5 | C12 | C9 | H12 | 118.0° | 119.9° |
| C12 | C5 | O2 | O1 | 123.4° | 120.0° |
| C12 | C5 | O2 | H5 | 117.5° | 120.0° |
| C12 | C5 | O1 | H5 | 117.5° | 120.0° |
| C12 | C5 | O2 | C6 | 50.2° | 61.2° |
| C5 | C12 | C9 | C8 | 53.7° | 57.0° |
| C5 | C12 | C9 | N | 179.5° | 176.9° |
| C12 | C5 | O1 | C4 | 48.2° | 175.0° |
| C5 | C12 | O3 | H3 | 17.8° | 60.1° |
| C5 | C12 | C9 | H9 | 61.8° | 62.9° |
| C9 | C12 | C5 | O2 | 47.5° | 57.6° |
| C9 | C12 | C5 | O1 | 170.3° | 177.6° |
| C12 | C9 | C8 | C6 | 57.4° | 57.0° |
| C12 | C9 | C8 | N | 121.9° | 119.9° |
| C12 | C9 | C8 | H9 | 119.9° | 119.9° |
| C12 | C9 | N | H9 | 120.2° | 120.3° |
| C12 | C9 | N | C10 | 23.6° | 67.9° |
| C12 | C9 | N | C11 | 91.0° | 168.2° |
| C9 | C12 | O3 | H3 | 138.7° | 179.7° |
| C9 | C12 | C5 | H5 | 70.6° | 62.4° |
| C12 | C9 | C8 | H81C | 62.6° | 62.9° |
| C12 | C9 | C8 | H82C | 178.4° | 176.9° |
| O2 | C5 | O1 | H5 | 118.3° | 120.0° |
| C5 | O2 | C6 | C7 | 176.8° | 178.9° |
| C5 | O2 | C6 | C8 | 56.3° | 61.2° |
| O2 | C5 | O1 | C4 | 172.3° | 65.1° |
| O2 | C5 | C12 | H12 | 73.5° | 62.3° |
| C5 | O2 | C6 | H6 | 59.9° | 58.8° |
| O1 | C5 | O2 | C6 | 173.6° | 178.8° |
| C5 | O1 | C4 | C13 | 58.5° | 150.0° |
| C5 | O1 | C4 | C3 | 176.3° | 89.5° |
| O1 | C5 | C12 | H12 | 49.3° | 57.6° |
| C5 | O1 | C4 | H4 | 59.8° | 30.4° |
| O2 | C6 | C7 | C8 | 126.0° | 119.9° |
| O2 | C6 | C7 | H6 | 117.9° | 120.0° |
| O2 | C6 | C8 | H6 | 117.9° | 120.0° |
| O2 | C6 | C8 | C9 | 57.6° | 57.6° |
| C6 | O2 | C5 | H5 | 67.3° | 58.8° |
| O2 | C6 | C7 | H71C | 143.8° | 60.0° |
| O2 | C6 | C7 | H72C | 23.8° | 180.0° |
| O2 | C6 | C7 | H73C | 96.2° | 59.9° |
| O2 | C6 | C8 | H81C | 62.4° | 62.3° |
| O2 | C6 | C8 | H82C | 178.5° | 177.5° |
| C7 | C6 | C8 | H6 | 116.6° | 120.1° |
| C7 | C6 | C8 | C9 | 176.8° | 177.6° |
| C6 | C7 | H71C | H72C | 120.0° | 120.0° |
| C6 | C7 | H71C | H73C | 120.0° | 120.0° |
| C6 | C7 | H72C | H73C | 120.0° | 120.1° |
| C7 | C6 | C8 | H81C | 63.2° | 57.7° |
| C7 | C6 | C8 | H82C | 55.9° | 62.5° |
| C6 | C8 | C9 | H81C | 120.0° | 119.9° |
| C6 | C8 | C9 | H82C | 120.9° | 120.0° |
| C6 | C8 | C9 | N | 179.3° | 176.9° |
| C6 | C8 | C9 | H9 | 62.4° | 62.9° |
| C8 | C6 | C7 | H71C | 17.8° | 179.9° |
| C8 | C6 | C7 | H72C | 102.2° | 60.1° |
| C8 | C6 | C7 | H73C | 137.8° | 60.0° |
| C6 | C8 | H81C | H82C | 120.9° | 120.2° |
| C8 | C9 | N | H9 | 115.3° | 120.2° |
| C8 | C9 | N | C10 | 100.9° | 51.7° |
| C8 | C9 | N | C11 | 144.5° | 72.3° |
| C8 | C9 | C12 | H12 | 64.3° | 62.9° |
| C9 | C8 | C6 | H6 | 60.2° | 62.4° |
| C9 | C8 | H81C | H82C | 121.0° | 120.1° |
| C9 | N | C10 | C11 | 116.2° | 123.9° |
| N | C9 | C12 | H12 | 61.5° | 57.0° |
| N | C9 | C8 | H81C | 59.3° | 56.9° |
| N | C9 | C8 | H82C | 59.7° | 63.2° |
| C9 | N | C10 | H101 | 176.6° | 60.0° |
| C9 | N | C10 | H102 | 63.4° | 180.0° |
| C9 | N | C10 | H103 | 56.5° | 60.0° |
| C9 | N | C11 | H111 | 10.1° | 63.5° |
| C9 | N | C11 | H112 | 130.1° | 176.5° |
| C9 | N | C11 | H113 | 109.9° | 56.5° |
| C10 | N | C9 | H9 | 143.8° | 171.8° |
| N | C10 | H101 | H102 | 120.0° | 120.1° |
| N | C10 | H101 | H103 | 120.0° | 120.0° |
| N | C10 | H102 | H103 | 120.0° | 119.9° |
| C10 | N | C11 | H111 | 112.8° | 172.6° |
| C10 | N | C11 | H112 | 7.2° | 52.6° |
| C10 | N | C11 | H113 | 127.1° | 67.4° |
| C11 | N | C9 | H9 | 29.2° | 47.9° |
| C11 | N | C10 | H101 | 67.3° | 63.9° |
| C11 | N | C10 | H102 | 52.7° | 56.2° |
| C11 | N | C10 | H103 | 172.7° | 176.1° |
| N | C11 | H111 | H112 | 120.0° | 120.0° |
| N | C11 | H111 | H113 | 120.0° | 120.0° |
| N | C11 | H112 | H113 | 120.0° | 119.9° |
| O1 | C4 | C13 | C3 | 119.7° | 120.5° |
| O1 | C4 | C13 | H4 | 116.3° | 119.6° |
| O1 | C4 | C3 | H4 | 116.4° | 119.8° |
| O1 | C4 | C13 | C14 | 119.8° | 158.0° |
| O1 | C4 | C3 | C2 | 101.9° | 44.7° |
| C4 | O1 | C5 | H5 | 69.3° | 55.0° |
| O1 | C4 | C13 | H131 | 0.2° | 38.1° |
| O1 | C4 | C13 | H132 | 121.1° | 81.8° |
| O1 | C4 | C3 | H31C | 138.1° | 75.5° |
| O1 | C4 | C3 | H32C | 15.2° | 164.9° |
| C13 | C4 | C3 | H4 | 118.5° | 119.8° |
| C4 | C13 | C14 | H131 | 120.0° | 119.9° |
| C4 | C13 | C14 | H132 | 119.1° | 120.3° |
| C4 | C13 | C14 | C15 | 77.3° | 163.7° |
| C13 | C4 | C3 | C2 | 132.9° | 75.7° |
| C4 | C13 | H131 | H132 | 119.1° | 120.1° |
| C13 | C4 | C3 | H31C | 12.9° | 164.1° |
| C13 | C4 | C3 | H32C | 109.9° | 44.5° |
| C4 | C13 | C14 | H141 | 42.7° | 43.4° |
| C4 | C13 | C14 | H142 | 164.0° | 76.4° |
| C3 | C4 | C13 | C14 | 120.4° | 81.5° |
| C4 | C3 | C2 | C1 | 38.2° | 175.0° |
| C4 | C3 | C2 | H31C | 120.0° | 120.2° |
| C4 | C3 | C2 | H32C | 117.2° | 120.2° |
| C3 | C4 | C13 | H131 | 119.5° | 158.6° |
| C3 | C4 | C13 | H132 | 1.4° | 38.7° |
| C4 | C3 | H31C | H32C | 117.5° | 119.8° |
| C4 | C3 | C2 | H21C | 81.7° | 65.3° |
| C4 | C3 | C2 | H22C | 157.1° | 55.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.2° |
| C13 | C14 | C15 | H142 | 118.7° | 119.9° |
| C13 | C14 | C15 | C16 | 154.3° | 108.6° |
| C14 | C13 | C4 | H4 | 3.6° | 38.4° |
| C14 | C13 | H131 | H132 | 119.1° | 119.9° |
| C13 | C14 | H141 | H142 | 118.8° | 119.9° |
| C13 | C14 | C15 | H151 | 85.7° | 131.3° |
| C13 | C14 | C15 | H152 | 35.3° | 11.6° |
| C14 | C15 | C16 | H151 | 120.0° | 120.1° |
| C14 | C15 | C16 | H152 | 119.0° | 120.1° |
| C14 | C15 | C16 | C17 | 149.8° | 106.7° |
| C15 | C14 | C13 | H131 | 162.7° | 76.4° |
| C15 | C14 | C13 | H132 | 41.8° | 43.3° |
| C15 | C14 | H141 | H142 | 118.8° | 119.9° |
| C14 | C15 | H151 | H152 | 119.1° | 119.8° |
| C14 | C15 | C16 | H161 | 29.8° | 13.5° |
| C14 | C15 | C16 | H162 | 91.9° | 133.4° |
| C15 | C16 | C17 | H161 | 120.0° | 120.3° |
| C15 | C16 | C17 | H162 | 118.2° | 119.9° |
| C15 | C16 | C17 | C18 | 41.5° | 146.4° |
| C16 | C15 | C14 | H141 | 34.3° | 11.6° |
| C16 | C15 | C14 | H142 | 87.0° | 131.5° |
| C16 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | C16 | H161 | H162 | 118.3° | 119.9° |
| C15 | C16 | C17 | H171 | 78.5° | 93.7° |
| C15 | C16 | C17 | H172 | 159.4° | 26.1° |
| C16 | C17 | C18 | H171 | 120.0° | 120.0° |
| C16 | C17 | C18 | H172 | 117.9° | 120.2° |
| C16 | C17 | C18 | C19 | 113.0° | 136.0° |
| C17 | C16 | C15 | H151 | 90.2° | 133.3° |
| C17 | C16 | C15 | H152 | 30.8° | 13.4° |
| C17 | C16 | H161 | H162 | 118.4° | 119.9° |
| C16 | C17 | H171 | H172 | 118.1° | 119.9° |
| C16 | C17 | C18 | H181 | 126.9° | 15.7° |
| C16 | C17 | C18 | H182 | 4.8° | 104.1° |
| C17 | C18 | C19 | H181 | 120.0° | 120.3° |
| C17 | C18 | C19 | H182 | 117.8° | 119.9° |
| C17 | C18 | C19 | C20 | 17.1° | 118.3° |
| C18 | C17 | C16 | H161 | 161.5° | 26.1° |
| C18 | C17 | C16 | H162 | 76.8° | 93.8° |
| C18 | C17 | H171 | H172 | 118.1° | 120.0° |
| C17 | C18 | H181 | H182 | 118.0° | 119.8° |
| C17 | C18 | C19 | H191 | 137.1° | 121.9° |
| C17 | C18 | C19 | H192 | 100.3° | 2.0° |
| C18 | C19 | C20 | H191 | 120.0° | 119.8° |
| C18 | C19 | C20 | H192 | 117.4° | 120.3° |
| C18 | C19 | C20 | C21 | 130.7° | 146.4° |
| C19 | C18 | C17 | H171 | 7.0° | 104.1° |
| C19 | C18 | C17 | H172 | 129.0° | 15.8° |
| C19 | C18 | H181 | H182 | 118.0° | 119.9° |
| C18 | C19 | H191 | H192 | 117.6° | 120.0° |
| C18 | C19 | C20 | H201 | 10.7° | 26.3° |
| C18 | C19 | C20 | H202 | 108.1° | 93.7° |
| C19 | C20 | C21 | H201 | 120.0° | 120.1° |
| C19 | C20 | C21 | H202 | 121.2° | 120.0° |
| C19 | C20 | C21 | C1 | 85.5° | 134.4° |
| C20 | C19 | C18 | H181 | 102.9° | 2.0° |
| C20 | C19 | C18 | H182 | 134.9° | 121.8° |
| C20 | C19 | H191 | H192 | 117.6° | 120.0° |
| C19 | C20 | H201 | H202 | 121.3° | 120.0° |
| C19 | C20 | C21 | H211 | 154.5° | 105.8° |
| C19 | C20 | C21 | H212 | 34.1° | 14.1° |
| C20 | C21 | C1 | H211 | 120.0° | 119.8° |
| C20 | C21 | C1 | H212 | 119.6° | 120.3° |
| C20 | C21 | C1 | C2 | 154.9° | 94.4° |
| C21 | C20 | C19 | H191 | 109.3° | 93.8° |
| C21 | C20 | C19 | H192 | 13.3° | 26.0° |
| C21 | C20 | H201 | H202 | 121.2° | 119.8° |
| C20 | C21 | H211 | H212 | 119.6° | 120.0° |
| C20 | C21 | C1 | H11C | 34.8° | 25.7° |
| C20 | C21 | C1 | H12C | 85.6° | 145.7° |
| C21 | C1 | C2 | H11C | 120.0° | 120.2° |
| C21 | C1 | C2 | H12C | 119.6° | 119.9° |
| C21 | C1 | C2 | C3 | 146.6° | 119.5° |
| C1 | C21 | C20 | H201 | 34.5° | 14.2° |
| C1 | C21 | C20 | H202 | 153.3° | 105.6° |
| C1 | C21 | H211 | H212 | 119.6° | 120.0° |
| C21 | C1 | H11C | H12C | 119.6° | 120.0° |
| C21 | C1 | C2 | H21C | 93.4° | 120.6° |
| C21 | C1 | C2 | H22C | 27.8° | 0.7° |
| C1 | C2 | C3 | H21C | 120.0° | 119.7° |
| C1 | C2 | C3 | H22C | 118.8° | 120.0° |
| C1 | C2 | C3 | H31C | 81.8° | 64.8° |
| C1 | C2 | C3 | H32C | 155.4° | 54.8° |
| C2 | C1 | C21 | H211 | 85.2° | 145.8° |
| C2 | C1 | C21 | H212 | 35.3° | 25.9° |
| C2 | C1 | H11C | H12C | 119.6° | 119.8° |
| C1 | C2 | H21C | H22C | 118.9° | 119.9° |
| C2 | C3 | C4 | H4 | 14.5° | 164.4° |
| C2 | C3 | H31C | H32C | 117.4° | 119.7° |
| C3 | C2 | C1 | H11C | 26.6° | 0.7° |
| C3 | C2 | C1 | H12C | 93.8° | 120.6° |
| C3 | C2 | H21C | H22C | 118.8° | 120.3° |
| H3 | O3 | C12 | H12 | 100.3° | 60.0° |
| H12 | C12 | C5 | H5 | 168.3° | 177.7° |
| H12 | C12 | C9 | H9 | 179.8° | 177.2° |
| H9 | C9 | C8 | H81C | 177.6° | 177.2° |
| H9 | C9 | C8 | H82C | 58.5° | 57.0° |
| H6 | C6 | C7 | H71C | 98.2° | 60.0° |
| H6 | C6 | C7 | H72C | 141.7° | 60.0° |
| H6 | C6 | C7 | H73C | 21.8° | 179.9° |
| H6 | C6 | C8 | H81C | 179.8° | 177.8° |
| H6 | C6 | C8 | H82C | 60.7° | 57.6° |
| H71C | C7 | H72C | H73C | 120.0° | 119.9° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H4 | C4 | C13 | H131 | 116.4° | 81.5° |
| H4 | C4 | C13 | H132 | 122.6° | 158.6° |
| H4 | C4 | C3 | H31C | 105.5° | 44.3° |
| H4 | C4 | C3 | H32C | 131.6° | 75.4° |
| H131 | C13 | C14 | H141 | 77.3° | 163.3° |
| H131 | C13 | C14 | H142 | 44.0° | 43.5° |
| H132 | C13 | C14 | H141 | 161.8° | 77.0° |
| H132 | C13 | C14 | H142 | 76.9° | 163.2° |
| H31C | C3 | C2 | H21C | 158.2° | 54.9° |
| H31C | C3 | C2 | H22C | 37.1° | 175.1° |
| H32C | C3 | C2 | H21C | 35.4° | 174.5° |
| H32C | C3 | C2 | H22C | 85.8° | 65.3° |
| H141 | C14 | C15 | H151 | 154.3° | 108.5° |
| H141 | C14 | C15 | H152 | 84.7° | 131.8° |
| H142 | C14 | C15 | H151 | 33.1° | 11.5° |
| H142 | C14 | C15 | H152 | 154.0° | 108.3° |
| H151 | C15 | C16 | H161 | 149.8° | 106.5° |
| H151 | C15 | C16 | H162 | 28.1° | 13.4° |
| H152 | C15 | C16 | H161 | 89.2° | 133.7° |
| H152 | C15 | C16 | H162 | 149.0° | 106.5° |
| H161 | C16 | C17 | H171 | 41.5° | 146.0° |
| H161 | C16 | C17 | H172 | 80.6° | 94.2° |
| H162 | C16 | C17 | H171 | 163.2° | 26.2° |
| H162 | C16 | C17 | H172 | 41.2° | 146.0° |
| H171 | C17 | C18 | H181 | 113.1° | 135.6° |
| H171 | C17 | C18 | H182 | 124.8° | 15.9° |
| H172 | C17 | C18 | H181 | 9.0° | 104.5° |
| H172 | C17 | C18 | H182 | 113.1° | 135.7° |
| H181 | C18 | C19 | H191 | 17.0° | 117.8° |
| H181 | C18 | C19 | H192 | 139.7° | 122.3° |
| H182 | C18 | C19 | H191 | 105.1° | 2.0° |
| H182 | C18 | C19 | H192 | 17.5° | 117.9° |
| H191 | C19 | C20 | H201 | 130.7° | 146.1° |
| H191 | C19 | C20 | H202 | 11.9° | 26.1° |
| H192 | C19 | C20 | H201 | 106.7° | 94.1° |
| H192 | C19 | C20 | H202 | 134.5° | 146.0° |
| H201 | C20 | C21 | H211 | 85.5° | 134.1° |
| H201 | C20 | C21 | H212 | 154.1° | 106.1° |
| H202 | C20 | C21 | H211 | 33.3° | 14.2° |
| H202 | C20 | C21 | H212 | 87.1° | 134.1° |
| H211 | C21 | C1 | H11C | 154.8° | 94.1° |
| H211 | C21 | C1 | H12C | 34.4° | 25.9° |
| H212 | C21 | C1 | H11C | 84.7° | 146.0° |
| H212 | C21 | C1 | H12C | 154.9° | 94.0° |
| H11C | C1 | C2 | H21C | 146.6° | 119.2° |
| H11C | C1 | C2 | H22C | 92.2° | 120.9° |
| H12C | C1 | C2 | H21C | 26.2° | 0.6° |
| H12C | C1 | C2 | H22C | 147.4° | 119.3° |
