E6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | sing | 1.43Å | 1.41Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C16 | sing | 1.51Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | O5 | doub | 1.21Å | 1.21Å | |
| C4 | N6 | sing | 1.35Å | 1.35Å | |
| N6 | C7 | sing | 1.46Å | 1.39Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C19 | sing | 1.53Å | 1.51Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| C8 | O9 | doub | 1.21Å | 1.21Å | |
| C8 | N10 | sing | 1.35Å | 1.35Å | |
| N10 | C11 | sing | 1.46Å | 1.46Å | |
| N10 | HN1 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.61Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | O17 | doub | 1.21Å | 1.20Å | |
| C16 | O18 | sing | 1.34Å | 1.20Å | |
| O18 | HO8 | sing | 0.97Å | 0.95Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O1 | HO1 | 114.0° | 106.9° |
| O1 | C3 | C2 | 114.0° | 109.4° |
| O1 | C3 | C4 | 108.3° | 109.5° |
| O1 | C3 | H3 | 110.9° | 109.5° |
| C3 | C2 | C16 | 108.3° | 109.5° |
| C3 | C2 | H21 | 112.7° | 109.5° |
| C3 | C2 | H22 | 112.7° | 109.5° |
| C2 | C3 | C4 | 118.3° | 109.4° |
| C2 | C3 | H3 | 98.9° | 109.5° |
| C16 | C2 | H21 | 112.6° | 109.4° |
| C16 | C2 | H22 | 112.6° | 109.5° |
| C2 | C16 | O17 | 116.6° | 120.0° |
| C2 | C16 | O18 | 117.2° | 120.0° |
| H21 | C2 | H22 | 97.9° | 109.5° |
| C4 | C3 | H3 | 105.7° | 109.5° |
| C3 | C4 | O5 | 123.3° | 120.0° |
| C3 | C4 | N6 | 110.5° | 120.0° |
| O5 | C4 | N6 | 126.0° | 120.0° |
| C4 | N6 | C7 | 118.2° | 120.0° |
| C4 | N6 | HN6 | 119.3° | 120.0° |
| C7 | N6 | HN6 | 122.5° | 120.0° |
| N6 | C7 | C8 | 113.3° | 109.5° |
| N6 | C7 | C19 | 122.7° | 109.5° |
| N6 | C7 | H7 | 98.3° | 109.4° |
| C8 | C7 | C19 | 117.9° | 109.5° |
| C8 | C7 | H7 | 108.1° | 109.5° |
| C7 | C8 | O9 | 116.8° | 120.0° |
| C7 | C8 | N10 | 120.3° | 120.1° |
| C19 | C7 | H7 | 89.1° | 109.5° |
| C7 | C19 | C20 | 106.2° | 109.5° |
| C7 | C19 | H191 | 113.4° | 109.5° |
| C7 | C19 | H192 | 113.4° | 109.5° |
| O9 | C8 | N10 | 121.1° | 119.9° |
| C8 | N10 | C11 | 120.1° | 120.1° |
| C8 | N10 | HN1 | 116.1° | 119.9° |
| C11 | N10 | HN1 | 123.8° | 120.0° |
| N10 | C11 | C12 | 104.8° | 109.5° |
| N10 | C11 | H111 | 114.0° | 109.5° |
| N10 | C11 | H112 | 113.9° | 109.5° |
| C12 | C11 | H111 | 114.0° | 109.5° |
| C12 | C11 | H112 | 114.0° | 109.5° |
| C11 | C12 | C13 | 116.8° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| H111 | C11 | H112 | 96.5° | 109.4° |
| C13 | C12 | H121 | 109.6° | 109.4° |
| C13 | C12 | H122 | 109.6° | 109.5° |
| C12 | C13 | C14 | 110.6° | 109.5° |
| C12 | C13 | C15 | 104.7° | 109.5° |
| C12 | C13 | H13 | 111.4° | 109.4° |
| H121 | C12 | H122 | 100.6° | 109.5° |
| C14 | C13 | C15 | 108.1° | 109.5° |
| C14 | C13 | H13 | 108.2° | 109.5° |
| C13 | C14 | H141 | 110.7° | 109.5° |
| C13 | C14 | H142 | 111.8° | 109.5° |
| C13 | C14 | H143 | 111.8° | 109.5° |
| C15 | C13 | H13 | 113.8° | 109.5° |
| C13 | C15 | H151 | 104.6° | 109.4° |
| C13 | C15 | H152 | 114.0° | 109.4° |
| C13 | C15 | H153 | 114.0° | 109.5° |
| H141 | C14 | H142 | 111.8° | 109.4° |
| H141 | C14 | H143 | 111.8° | 109.5° |
| H142 | C14 | H143 | 98.6° | 109.4° |
| H151 | C15 | H152 | 114.1° | 109.5° |
| H151 | C15 | H153 | 114.0° | 109.5° |
| H152 | C15 | H153 | 96.4° | 109.5° |
| O17 | C16 | O18 | 125.2° | 120.0° |
| C16 | O18 | HO8 | 117.2° | 120.0° |
| C20 | C19 | H191 | 113.5° | 109.4° |
| C20 | C19 | H192 | 113.5° | 109.5° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C19 | C20 | C22 | 105.5° | 109.5° |
| C19 | C20 | H20 | 110.6° | 109.4° |
| H191 | C19 | H192 | 97.1° | 109.5° |
| C21 | C20 | C22 | 105.6° | 109.5° |
| C21 | C20 | H20 | 110.5° | 109.5° |
| C20 | C21 | H211 | 109.9° | 109.5° |
| C20 | C21 | H212 | 112.0° | 109.5° |
| C20 | C21 | H213 | 112.0° | 109.5° |
| C22 | C20 | H20 | 114.5° | 109.5° |
| C20 | C22 | H221 | 105.6° | 109.5° |
| C20 | C22 | H222 | 113.7° | 109.5° |
| C20 | C22 | H223 | 113.7° | 109.5° |
| H211 | C21 | H212 | 112.1° | 109.4° |
| H211 | C21 | H213 | 112.0° | 109.4° |
| H212 | C21 | H213 | 98.4° | 109.5° |
| H221 | C22 | H222 | 113.7° | 109.4° |
| H221 | C22 | H223 | 113.6° | 109.4° |
| H222 | C22 | H223 | 96.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | C4 | 129.1° | 120.0° |
| O1 | C3 | C2 | H3 | 117.7° | 120.0° |
| O1 | C3 | C2 | C16 | 59.2° | 60.0° |
| O1 | C3 | C2 | H21 | 66.0° | 60.0° |
| O1 | C3 | C2 | H22 | 175.6° | 180.0° |
| O1 | C3 | C4 | H3 | 118.9° | 120.0° |
| O1 | C3 | C4 | O5 | 147.9° | 0.1° |
| O1 | C3 | C4 | N6 | 27.4° | 179.9° |
| HO1 | O1 | C3 | C2 | 179.9° | 60.1° |
| HO1 | O1 | C3 | C4 | 46.1° | 59.9° |
| HO1 | O1 | C3 | H3 | 69.4° | 180.0° |
| C3 | C2 | C16 | H21 | 125.2° | 120.0° |
| C3 | C2 | C16 | H22 | 125.2° | 120.0° |
| C3 | C2 | H21 | H22 | 118.6° | 120.1° |
| C2 | C3 | C4 | H3 | 109.5° | 120.0° |
| C2 | C3 | C4 | O5 | 80.5° | 120.0° |
| C2 | C3 | C4 | N6 | 104.2° | 60.0° |
| C3 | C2 | C16 | O17 | 67.0° | 0.0° |
| C3 | C2 | C16 | O18 | 102.3° | 179.9° |
| C16 | C2 | H21 | H22 | 118.5° | 119.9° |
| C16 | C2 | C3 | C4 | 171.8° | 180.0° |
| C16 | C2 | C3 | H3 | 58.5° | 60.0° |
| C2 | C16 | O17 | O18 | 168.3° | 179.9° |
| C2 | C16 | O18 | HO8 | 180.0° | 180.0° |
| H21 | C2 | C3 | C4 | 63.0° | 60.0° |
| H21 | C2 | C3 | H3 | 176.3° | 179.9° |
| H21 | C2 | C16 | O17 | 167.8° | 120.0° |
| H21 | C2 | C16 | O18 | 22.9° | 60.0° |
| H22 | C2 | C3 | C4 | 46.5° | 60.0° |
| H22 | C2 | C3 | H3 | 66.7° | 60.0° |
| H22 | C2 | C16 | O17 | 58.3° | 120.0° |
| H22 | C2 | C16 | O18 | 132.4° | 59.9° |
| C3 | C4 | O5 | N6 | 174.5° | 180.0° |
| C3 | C4 | N6 | C7 | 171.1° | 177.8° |
| C3 | C4 | N6 | HN6 | 8.8° | 2.1° |
| H3 | C3 | C4 | O5 | 29.0° | 120.0° |
| H3 | C3 | C4 | N6 | 146.3° | 60.0° |
| O5 | C4 | N6 | C7 | 4.0° | 2.2° |
| O5 | C4 | N6 | HN6 | 176.1° | 177.9° |
| C4 | N6 | C7 | HN6 | 179.9° | 179.9° |
| C4 | N6 | C7 | C8 | 150.9° | 118.5° |
| C4 | N6 | C7 | C19 | 57.3° | 121.4° |
| C4 | N6 | C7 | H7 | 37.0° | 1.4° |
| N6 | C7 | C8 | C19 | 153.3° | 120.1° |
| N6 | C7 | C8 | H7 | 107.9° | 119.9° |
| N6 | C7 | C19 | H7 | 99.3° | 120.0° |
| N6 | C7 | C8 | O9 | 155.4° | 0.0° |
| N6 | C7 | C8 | N10 | 39.6° | 180.0° |
| N6 | C7 | C19 | C20 | 127.0° | 65.4° |
| N6 | C7 | C19 | H191 | 1.8° | 54.6° |
| N6 | C7 | C19 | H192 | 107.7° | 174.6° |
| HN6 | N6 | C7 | C8 | 29.0° | 61.6° |
| HN6 | N6 | C7 | C19 | 122.8° | 58.5° |
| HN6 | N6 | C7 | H7 | 142.9° | 178.5° |
| C8 | C7 | C19 | H7 | 110.1° | 120.0° |
| C7 | C8 | O9 | N10 | 164.9° | 180.0° |
| C7 | C8 | N10 | C11 | 118.4° | 180.0° |
| C7 | C8 | N10 | HN1 | 61.7° | 0.1° |
| C8 | C7 | C19 | C20 | 82.4° | 174.6° |
| C8 | C7 | C19 | H191 | 152.4° | 65.4° |
| C8 | C7 | C19 | H192 | 42.9° | 54.5° |
| C19 | C7 | C8 | O9 | 51.3° | 120.1° |
| C19 | C7 | C8 | N10 | 113.7° | 59.9° |
| C7 | C19 | C20 | H191 | 125.2° | 120.0° |
| C7 | C19 | C20 | H192 | 125.2° | 120.1° |
| C7 | C19 | H191 | H192 | 119.4° | 120.0° |
| C7 | C19 | C20 | C21 | 96.3° | 176.6° |
| C7 | C19 | C20 | C22 | 17.2° | 63.4° |
| C7 | C19 | C20 | H20 | 141.5° | 56.6° |
| H7 | C7 | C8 | O9 | 47.5° | 119.9° |
| H7 | C7 | C8 | N10 | 147.5° | 60.1° |
| H7 | C7 | C19 | C20 | 27.7° | 54.6° |
| H7 | C7 | C19 | H191 | 97.5° | 174.6° |
| H7 | C7 | C19 | H192 | 153.0° | 65.5° |
| O9 | C8 | N10 | C11 | 46.0° | 0.0° |
| O9 | C8 | N10 | HN1 | 133.9° | 179.9° |
| C8 | N10 | C11 | HN1 | 179.9° | 179.9° |
| C8 | N10 | C11 | C12 | 49.2° | 180.0° |
| C8 | N10 | C11 | H111 | 174.5° | 60.0° |
| C8 | N10 | C11 | H112 | 76.1° | 60.0° |
| N10 | C11 | C12 | H111 | 125.3° | 120.0° |
| N10 | C11 | C12 | H112 | 125.2° | 120.0° |
| N10 | C11 | H111 | H112 | 119.8° | 120.0° |
| N10 | C11 | C12 | C13 | 149.3° | 180.0° |
| N10 | C11 | C12 | H121 | 24.0° | 60.0° |
| N10 | C11 | C12 | H122 | 85.4° | 60.0° |
| HN1 | N10 | C11 | C12 | 130.9° | 0.0° |
| HN1 | N10 | C11 | H111 | 5.6° | 120.0° |
| HN1 | N10 | C11 | H112 | 103.8° | 120.1° |
| C12 | C11 | H111 | H112 | 119.9° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 115.3° | 120.0° |
| C11 | C12 | C13 | C14 | 54.9° | 180.0° |
| C11 | C12 | C13 | C15 | 61.3° | 59.9° |
| C11 | C12 | C13 | H13 | 175.3° | 60.0° |
| H111 | C11 | C12 | C13 | 85.4° | 60.0° |
| H111 | C11 | C12 | H121 | 149.3° | 180.0° |
| H111 | C11 | C12 | H122 | 39.9° | 60.0° |
| H112 | C11 | C12 | C13 | 24.1° | 60.0° |
| H112 | C11 | C12 | H121 | 101.2° | 60.0° |
| H112 | C11 | C12 | H122 | 149.4° | 180.0° |
| C13 | C12 | H121 | H122 | 115.4° | 119.9° |
| C12 | C13 | C14 | C15 | 114.1° | 120.1° |
| C12 | C13 | C14 | H13 | 122.3° | 119.9° |
| C12 | C13 | C15 | H13 | 121.9° | 119.9° |
| C12 | C13 | C14 | H141 | 180.0° | 179.9° |
| C12 | C13 | C14 | H142 | 54.7° | 60.0° |
| C12 | C13 | C14 | H143 | 54.7° | 60.0° |
| C12 | C13 | C15 | H151 | 180.0° | 60.0° |
| C12 | C13 | C15 | H152 | 54.7° | 59.9° |
| C12 | C13 | C15 | H153 | 54.7° | 180.0° |
| H121 | C12 | C13 | C14 | 70.3° | 60.0° |
| H121 | C12 | C13 | C15 | 173.5° | 60.1° |
| H121 | C12 | C13 | H13 | 50.0° | 180.0° |
| H122 | C12 | C13 | C14 | 179.8° | 60.0° |
| H122 | C12 | C13 | C15 | 64.0° | 180.0° |
| H122 | C12 | C13 | H13 | 59.5° | 60.0° |
| C14 | C13 | C15 | H13 | 120.2° | 120.0° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.1° |
| C13 | C14 | H142 | H143 | 117.7° | 120.0° |
| C14 | C13 | C15 | H151 | 62.0° | 60.0° |
| C14 | C13 | C15 | H152 | 172.7° | 180.0° |
| C14 | C13 | C15 | H153 | 63.2° | 60.0° |
| C15 | C13 | C14 | H141 | 66.0° | 60.0° |
| C15 | C13 | C14 | H142 | 59.3° | 180.0° |
| C15 | C13 | C14 | H143 | 168.7° | 60.1° |
| C13 | C15 | H151 | H152 | 125.3° | 119.9° |
| C13 | C15 | H151 | H153 | 125.2° | 120.0° |
| C13 | C15 | H152 | H153 | 119.9° | 120.0° |
| H13 | C13 | C14 | H141 | 57.7° | 60.0° |
| H13 | C13 | C14 | H142 | 177.0° | 60.0° |
| H13 | C13 | C14 | H143 | 67.6° | 179.9° |
| H13 | C13 | C15 | H151 | 58.1° | 180.0° |
| H13 | C13 | C15 | H152 | 67.2° | 60.0° |
| H13 | C13 | C15 | H153 | 176.6° | 60.0° |
| H141 | C14 | H142 | H143 | 117.7° | 120.0° |
| H151 | C15 | H152 | H153 | 119.9° | 120.1° |
| O17 | C16 | O18 | HO8 | 11.7° | 0.1° |
| C20 | C19 | H191 | H192 | 119.4° | 120.0° |
| C19 | C20 | C21 | C22 | 113.4° | 120.0° |
| C19 | C20 | C21 | H20 | 122.3° | 119.9° |
| C19 | C20 | C22 | H20 | 121.8° | 120.0° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C19 | C20 | C21 | H212 | 54.7° | 60.0° |
| C19 | C20 | C21 | H213 | 54.8° | 60.1° |
| C19 | C20 | C22 | H221 | 180.0° | 53.6° |
| C19 | C20 | C22 | H222 | 54.7° | 66.3° |
| C19 | C20 | C22 | H223 | 54.8° | 173.6° |
| H191 | C19 | C20 | C21 | 138.5° | 56.6° |
| H191 | C19 | C20 | C22 | 108.0° | 176.6° |
| H191 | C19 | C20 | H20 | 16.2° | 63.4° |
| H192 | C19 | C20 | C21 | 28.9° | 63.4° |
| H192 | C19 | C20 | C22 | 142.4° | 56.7° |
| H192 | C19 | C20 | H20 | 93.3° | 176.7° |
| C21 | C20 | C22 | H20 | 121.7° | 120.0° |
| C20 | C21 | H211 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H213 | 125.2° | 120.0° |
| C20 | C21 | H212 | H213 | 117.9° | 120.1° |
| C21 | C20 | C22 | H221 | 63.5° | 66.4° |
| C21 | C20 | C22 | H222 | 61.7° | 173.7° |
| C21 | C20 | C22 | H223 | 171.2° | 53.6° |
| C22 | C20 | C21 | H211 | 66.6° | 60.0° |
| C22 | C20 | C21 | H212 | 168.2° | 180.0° |
| C22 | C20 | C21 | H213 | 58.7° | 59.9° |
| C20 | C22 | H221 | H222 | 125.3° | 120.0° |
| C20 | C22 | H221 | H223 | 125.3° | 120.0° |
| C20 | C22 | H222 | H223 | 119.6° | 120.0° |
| H20 | C20 | C21 | H211 | 57.7° | 60.1° |
| H20 | C20 | C21 | H212 | 67.6° | 59.9° |
| H20 | C20 | C21 | H213 | 177.0° | 180.0° |
| H20 | C20 | C22 | H221 | 58.2° | 173.6° |
| H20 | C20 | C22 | H222 | 176.5° | 53.6° |
| H20 | C20 | C22 | H223 | 67.0° | 66.4° |
| H211 | C21 | H212 | H213 | 118.0° | 119.9° |
| H221 | C22 | H222 | H223 | 119.5° | 120.0° |
