CVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O12 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| O14 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C19 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O23 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | O21 | sing | 1.43Å | 1.43Å | |
| C18 | O22 | sing | 1.43Å | 1.43Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| O23 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | O25 | sing | 1.43Å | 1.44Å | |
| C24 | C29 | sing | 1.53Å | 1.54Å | |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | O32 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | O33 | sing | 1.43Å | 1.43Å | |
| C29 | O34 | sing | 1.43Å | 1.43Å | |
| C30 | O31 | sing | 1.43Å | 1.43Å | |
| 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 | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | 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 | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O12 | 110.5° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.4° |
| C2 | C1 | H11C | 109.1° | 109.5° |
| C2 | C1 | H12C | 108.9° | 109.5° |
| C1 | C2 | H21C | 109.6° | 109.5° |
| C1 | C2 | H22C | 109.7° | 109.5° |
| C1 | O12 | C13 | 114.1° | 114.0° |
| O12 | C1 | H11C | 109.2° | 109.4° |
| O12 | C1 | H12C | 108.9° | 109.5° |
| C2 | C3 | C4 | 113.8° | 109.5° |
| C3 | C2 | H21C | 109.6° | 109.4° |
| C3 | C2 | H22C | 109.7° | 109.4° |
| C2 | C3 | H31C | 108.0° | 109.5° |
| C2 | C3 | H32C | 107.1° | 109.4° |
| C3 | C4 | C6 | 108.7° | 109.5° |
| C4 | C3 | H31C | 108.1° | 109.5° |
| C4 | C3 | H32C | 107.0° | 109.5° |
| C3 | C4 | H41C | 109.7° | 109.5° |
| C3 | C4 | H42C | 109.9° | 109.5° |
| C4 | C6 | C7 | 110.5° | 109.5° |
| C4 | C6 | C11 | 110.6° | 109.5° |
| C6 | C4 | H41C | 109.7° | 109.4° |
| C6 | C4 | H42C | 109.9° | 109.4° |
| C4 | C6 | H6 | 107.6° | 109.5° |
| C7 | C6 | C11 | 108.2° | 109.5° |
| C6 | C7 | C8 | 110.8° | 109.4° |
| C7 | C6 | H6 | 110.0° | 109.5° |
| C6 | C7 | H71C | 109.0° | 109.5° |
| C6 | C7 | H72C | 108.7° | 109.5° |
| C6 | C11 | C10 | 108.6° | 109.5° |
| C11 | C6 | H6 | 109.9° | 109.5° |
| C6 | C11 | H111 | 109.8° | 109.4° |
| C6 | C11 | H112 | 110.0° | 109.5° |
| C7 | C8 | C9 | 109.4° | 109.5° |
| C8 | C7 | H71C | 109.0° | 109.5° |
| C8 | C7 | H72C | 108.7° | 109.5° |
| C7 | C8 | H81C | 109.5° | 109.5° |
| C7 | C8 | H82C | 109.5° | 109.6° |
| C8 | C9 | C10 | 108.7° | 109.5° |
| C9 | C8 | H81C | 109.5° | 109.4° |
| C9 | C8 | H82C | 109.5° | 109.4° |
| C8 | C9 | H91C | 109.8° | 109.5° |
| C8 | C9 | H92C | 109.9° | 109.4° |
| C9 | C10 | C11 | 109.6° | 109.4° |
| C10 | C9 | H91C | 109.7° | 109.5° |
| C10 | C9 | H92C | 109.9° | 109.5° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C9 | C10 | H102 | 109.4° | 109.5° |
| C10 | C11 | H111 | 109.8° | 109.4° |
| C10 | C11 | H112 | 110.0° | 109.5° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| C11 | C10 | H102 | 109.4° | 109.5° |
| O12 | C13 | O14 | 108.4° | 109.5° |
| O12 | C13 | C18 | 112.5° | 109.5° |
| O12 | C13 | H13 | 107.8° | 109.5° |
| O14 | C13 | C18 | 108.1° | 109.4° |
| C13 | O14 | C15 | 114.2° | 114.1° |
| O14 | C13 | H13 | 112.1° | 109.4° |
| C13 | C18 | C17 | 109.0° | 109.2° |
| C13 | C18 | O22 | 111.8° | 109.5° |
| C18 | C13 | H13 | 108.0° | 109.5° |
| C13 | C18 | H18 | 108.1° | 109.5° |
| O14 | C15 | C16 | 112.7° | 109.4° |
| O14 | C15 | C19 | 108.9° | 109.5° |
| O14 | C15 | H15 | 108.2° | 109.5° |
| C16 | C15 | C19 | 111.2° | 109.4° |
| C15 | C16 | C17 | 111.8° | 109.1° |
| C15 | C16 | O23 | 108.4° | 109.5° |
| C16 | C15 | H15 | 105.9° | 109.5° |
| C15 | C16 | H16 | 109.1° | 109.6° |
| C15 | C19 | O20 | 110.4° | 109.5° |
| C19 | C15 | H15 | 109.9° | 109.5° |
| C15 | C19 | H191 | 109.2° | 109.5° |
| C15 | C19 | H192 | 108.9° | 109.5° |
| C17 | C16 | O23 | 110.6° | 109.5° |
| C16 | C17 | C18 | 110.2° | 109.0° |
| C16 | C17 | O21 | 110.6° | 109.5° |
| C17 | C16 | H16 | 106.8° | 109.5° |
| C16 | C17 | H17 | 108.1° | 109.6° |
| C16 | O23 | C24 | 113.4° | 114.0° |
| O23 | C16 | H16 | 110.2° | 109.6° |
| C18 | C17 | O21 | 109.2° | 109.6° |
| C17 | C18 | O22 | 109.0° | 109.5° |
| C17 | C18 | H18 | 111.0° | 109.5° |
| C18 | C17 | H17 | 109.5° | 109.6° |
| O21 | C17 | H17 | 109.1° | 109.6° |
| C17 | O21 | H21 | 109.5° | 113.9° |
| O22 | C18 | H18 | 108.0° | 109.6° |
| C18 | O22 | H22 | 109.5° | 114.0° |
| O20 | C19 | H191 | 109.1° | 109.4° |
| O20 | C19 | H192 | 109.0° | 109.5° |
| C19 | O20 | H20 | 109.5° | 114.0° |
| O23 | C24 | O25 | 108.2° | 109.5° |
| O23 | C24 | C29 | 108.1° | 109.5° |
| O23 | C24 | H24 | 113.8° | 109.5° |
| O25 | C24 | C29 | 116.1° | 109.4° |
| C24 | O25 | C26 | 117.6° | 114.1° |
| O25 | C24 | H24 | 105.3° | 109.5° |
| C24 | C29 | C28 | 115.2° | 109.2° |
| C24 | C29 | O34 | 110.1° | 109.5° |
| C29 | C24 | H24 | 105.5° | 109.5° |
| C24 | C29 | H29 | 105.1° | 109.6° |
| O25 | C26 | C27 | 110.0° | 109.4° |
| O25 | C26 | C30 | 109.3° | 109.4° |
| O25 | C26 | H26 | 109.6° | 109.5° |
| C27 | C26 | C30 | 110.7° | 109.5° |
| C26 | C27 | C28 | 107.1° | 109.2° |
| C26 | C27 | O32 | 109.9° | 109.5° |
| C27 | C26 | H26 | 108.2° | 109.5° |
| C26 | C27 | H27 | 110.9° | 109.5° |
| C26 | C30 | O31 | 109.5° | 109.5° |
| C30 | C26 | H26 | 108.9° | 109.5° |
| C26 | C30 | H301 | 109.5° | 109.4° |
| C26 | C30 | H302 | 109.5° | 109.5° |
| C28 | C27 | O32 | 109.8° | 109.5° |
| C27 | C28 | C29 | 110.2° | 109.0° |
| C27 | C28 | O33 | 109.7° | 109.6° |
| C28 | C27 | H27 | 110.9° | 109.5° |
| C27 | C28 | H28 | 108.9° | 109.5° |
| O32 | C27 | H27 | 108.2° | 109.5° |
| C27 | O32 | H32 | 109.5° | 114.0° |
| C29 | C28 | O33 | 109.6° | 109.6° |
| C28 | C29 | O34 | 109.9° | 109.5° |
| C28 | C29 | H29 | 105.4° | 109.5° |
| C29 | C28 | H28 | 109.0° | 109.5° |
| O33 | C28 | H28 | 109.5° | 109.6° |
| C28 | O33 | H33 | 109.5° | 114.0° |
| O34 | C29 | H29 | 111.0° | 109.6° |
| C29 | O34 | H34 | 109.5° | 114.0° |
| O31 | C30 | H301 | 109.5° | 109.5° |
| O31 | C30 | H302 | 109.5° | 109.4° |
| C30 | O31 | H31 | 109.5° | 114.1° |
| H11C | C1 | H12C | 110.3° | 109.5° |
| H21C | C2 | H22C | 109.2° | 109.5° |
| H31C | C3 | H32C | 112.9° | 109.5° |
| H41C | C4 | H42C | 108.9° | 109.4° |
| H71C | C7 | H72C | 110.5° | 109.5° |
| H111 | C11 | H112 | 108.8° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.4° |
| H91C | C9 | H92C | 108.8° | 109.5° |
| H101 | C10 | H102 | 109.6° | 109.5° |
| H191 | C19 | H192 | 110.2° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O12 | H11C | 120.0° | 120.0° |
| C2 | C1 | O12 | H12C | 119.6° | 120.0° |
| C1 | C2 | C3 | H21C | 120.0° | 120.0° |
| C1 | C2 | C3 | H22C | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 164.6° | 180.0° |
| C2 | C1 | O12 | C13 | 113.3° | 180.0° |
| C2 | C1 | H11C | H12C | 119.6° | 120.0° |
| C1 | C2 | H21C | H22C | 120.2° | 120.1° |
| C1 | C2 | C3 | H31C | 75.4° | 60.0° |
| C1 | C2 | C3 | H32C | 46.5° | 60.0° |
| O12 | C1 | C2 | C3 | 103.3° | 180.0° |
| C1 | O12 | C13 | O14 | 166.6° | 65.1° |
| C1 | O12 | C13 | C18 | 73.9° | 175.0° |
| O12 | C1 | H11C | H12C | 119.6° | 120.0° |
| O12 | C1 | C2 | H21C | 16.7° | 60.0° |
| O12 | C1 | C2 | H22C | 136.5° | 60.1° |
| C1 | O12 | C13 | H13 | 45.1° | 54.9° |
| C2 | C3 | C4 | H31C | 120.0° | 120.0° |
| C2 | C3 | C4 | H32C | 118.1° | 120.0° |
| C2 | C3 | C4 | C6 | 169.1° | 180.0° |
| C3 | C2 | C1 | H11C | 16.7° | 60.0° |
| C3 | C2 | C1 | H12C | 137.1° | 60.0° |
| C3 | C2 | H21C | H22C | 120.2° | 119.9° |
| C2 | C3 | H31C | H32C | 118.2° | 120.0° |
| C2 | C3 | C4 | H41C | 49.1° | 60.0° |
| C2 | C3 | C4 | H42C | 70.6° | 60.0° |
| C3 | C4 | C6 | H41C | 120.0° | 120.0° |
| C3 | C4 | C6 | H42C | 120.3° | 120.1° |
| C3 | C4 | C6 | C7 | 82.6° | 175.0° |
| C3 | C4 | C6 | C11 | 157.5° | 65.0° |
| C4 | C3 | C2 | H21C | 44.6° | 60.0° |
| C4 | C3 | C2 | H22C | 75.2° | 60.0° |
| C4 | C3 | H31C | H32C | 118.2° | 120.0° |
| C3 | C4 | H41C | H42C | 120.3° | 120.1° |
| C3 | C4 | C6 | H6 | 37.5° | 55.0° |
| C4 | C6 | C7 | C11 | 121.2° | 120.0° |
| C4 | C6 | C7 | H6 | 118.7° | 120.0° |
| C4 | C6 | C11 | H6 | 118.7° | 120.0° |
| C4 | C6 | C7 | C8 | 96.0° | 180.0° |
| C4 | C6 | C11 | C10 | 162.5° | 179.9° |
| C6 | C4 | C3 | H31C | 70.9° | 60.0° |
| C6 | C4 | C3 | H32C | 51.0° | 60.0° |
| C6 | C4 | H41C | H42C | 120.3° | 119.9° |
| C4 | C6 | C7 | H71C | 24.0° | 60.0° |
| C4 | C6 | C7 | H72C | 144.6° | 60.0° |
| C4 | C6 | C11 | H111 | 77.5° | 60.0° |
| C4 | C6 | C11 | H112 | 42.1° | 60.0° |
| C7 | C6 | C11 | H6 | 120.2° | 120.0° |
| C6 | C7 | C8 | H71C | 120.0° | 120.0° |
| C6 | C7 | C8 | H72C | 119.4° | 119.9° |
| C6 | C7 | C8 | C9 | 69.4° | 60.0° |
| C7 | C6 | C11 | C10 | 41.4° | 60.0° |
| C7 | C6 | C4 | H41C | 157.3° | 64.9° |
| C7 | C6 | C4 | H42C | 37.7° | 54.9° |
| C6 | C7 | H71C | H72C | 119.4° | 120.0° |
| C7 | C6 | C11 | H111 | 161.4° | 180.0° |
| C7 | C6 | C11 | H112 | 79.0° | 60.0° |
| C6 | C7 | C8 | H81C | 50.6° | 180.0° |
| C6 | C7 | C8 | H82C | 170.6° | 60.0° |
| C11 | C6 | C7 | C8 | 25.2° | 60.0° |
| C6 | C11 | C10 | C9 | 73.2° | 60.0° |
| C6 | C11 | C10 | H111 | 120.0° | 120.0° |
| C6 | C11 | C10 | H112 | 120.4° | 120.0° |
| C11 | C6 | C4 | H41C | 37.5° | 55.0° |
| C11 | C6 | C4 | H42C | 82.2° | 174.9° |
| C11 | C6 | C7 | H71C | 145.3° | 60.0° |
| C11 | C6 | C7 | H72C | 94.2° | 180.0° |
| C6 | C11 | H111 | H112 | 120.3° | 120.0° |
| C6 | C11 | C10 | H101 | 166.8° | 180.0° |
| C6 | C11 | C10 | H102 | 46.8° | 60.0° |
| C7 | C8 | C9 | H81C | 120.0° | 120.0° |
| C7 | C8 | C9 | H82C | 120.0° | 120.1° |
| C7 | C8 | C9 | C10 | 37.7° | 60.0° |
| C8 | C7 | C6 | H6 | 145.3° | 60.0° |
| C8 | C7 | H71C | H72C | 119.4° | 120.0° |
| C7 | C8 | H81C | H82C | 120.0° | 120.1° |
| C7 | C8 | C9 | H91C | 157.7° | 60.0° |
| C7 | C8 | C9 | H92C | 82.6° | 180.0° |
| C8 | C9 | C10 | H91C | 120.0° | 120.0° |
| C8 | C9 | C10 | H92C | 120.3° | 119.9° |
| C8 | C9 | C10 | C11 | 28.6° | 60.0° |
| C9 | C8 | C7 | H71C | 170.6° | 60.0° |
| C9 | C8 | C7 | H72C | 50.0° | 180.0° |
| C9 | C8 | H81C | H82C | 120.0° | 119.9° |
| C8 | C9 | H91C | H92C | 120.4° | 120.0° |
| C8 | C9 | C10 | H101 | 148.6° | 180.0° |
| C8 | C9 | C10 | H102 | 91.4° | 60.0° |
| C9 | C10 | C11 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | C11 | H111 | 166.8° | 180.0° |
| C9 | C10 | C11 | H112 | 47.2° | 60.0° |
| C10 | C9 | C8 | H81C | 82.2° | 179.9° |
| C10 | C9 | C8 | H82C | 157.8° | 60.1° |
| C10 | C9 | H91C | H92C | 120.3° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C10 | C11 | C6 | H6 | 78.8° | 60.0° |
| C10 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | C10 | C9 | H91C | 91.4° | 60.0° |
| C11 | C10 | C9 | H92C | 148.9° | 179.9° |
| C11 | C10 | H101 | H102 | 120.0° | 120.0° |
| O12 | C13 | O14 | C18 | 122.2° | 120.0° |
| O12 | C13 | O14 | H13 | 118.8° | 120.0° |
| O12 | C13 | C18 | H13 | 118.8° | 120.1° |
| O12 | C13 | O14 | C15 | 175.4° | 178.8° |
| O12 | C13 | C18 | C17 | 177.7° | 177.6° |
| O12 | C13 | C18 | O22 | 57.1° | 62.5° |
| C13 | O12 | C1 | H11C | 6.8° | 60.0° |
| C13 | O12 | C1 | H12C | 127.2° | 60.0° |
| O12 | C13 | C18 | H18 | 61.6° | 57.7° |
| O14 | C13 | C18 | H13 | 121.5° | 119.9° |
| C13 | O14 | C15 | C16 | 54.9° | 61.2° |
| C13 | O14 | C15 | C19 | 178.8° | 178.9° |
| O14 | C13 | C18 | C17 | 62.6° | 57.6° |
| O14 | C13 | C18 | O22 | 176.8° | 177.5° |
| O14 | C13 | C18 | H18 | 58.1° | 62.3° |
| C13 | O14 | C15 | H15 | 61.8° | 58.8° |
| C18 | C13 | O14 | C15 | 62.4° | 61.2° |
| C13 | C18 | C17 | C16 | 57.1° | 57.0° |
| C13 | C18 | C17 | O22 | 122.3° | 119.9° |
| C13 | C18 | C17 | H18 | 118.9° | 119.9° |
| C13 | C18 | C17 | O21 | 178.8° | 176.9° |
| C13 | C18 | O22 | H18 | 118.8° | 120.2° |
| C13 | C18 | C17 | H17 | 61.7° | 62.9° |
| C13 | C18 | O22 | H22 | 28.1° | 60.0° |
| O14 | C15 | C16 | C19 | 122.6° | 119.9° |
| O14 | C15 | C16 | H15 | 118.1° | 120.0° |
| O14 | C15 | C19 | H15 | 118.4° | 120.1° |
| O14 | C15 | C16 | C17 | 46.9° | 57.7° |
| O14 | C15 | C16 | O23 | 169.1° | 177.5° |
| O14 | C15 | C19 | O20 | 157.9° | 64.4° |
| C15 | O14 | C13 | H13 | 56.6° | 58.8° |
| O14 | C15 | C16 | H16 | 70.9° | 62.3° |
| O14 | C15 | C19 | H191 | 82.1° | 175.7° |
| O14 | C15 | C19 | H192 | 38.3° | 55.6° |
| C16 | C15 | C19 | H15 | 116.8° | 120.0° |
| C15 | C16 | C17 | O23 | 120.9° | 119.9° |
| C15 | C16 | C17 | H16 | 119.2° | 120.0° |
| C15 | C16 | O23 | H16 | 119.3° | 120.2° |
| C15 | C16 | C17 | C18 | 49.1° | 57.0° |
| C15 | C16 | C17 | O21 | 170.0° | 176.9° |
| C16 | C15 | C19 | O20 | 77.3° | 175.7° |
| C15 | C16 | O23 | C24 | 157.1° | 155.5° |
| C16 | C15 | C19 | H191 | 42.7° | 55.8° |
| C16 | C15 | C19 | H192 | 163.1° | 64.3° |
| C15 | C16 | C17 | H17 | 70.6° | 62.9° |
| C19 | C15 | C16 | C17 | 169.5° | 177.6° |
| C19 | C15 | C16 | O23 | 68.3° | 62.5° |
| C15 | C19 | O20 | H191 | 120.0° | 120.0° |
| C15 | C19 | O20 | H192 | 119.6° | 120.0° |
| C19 | C15 | C16 | H16 | 51.7° | 57.7° |
| C15 | C19 | H191 | H192 | 119.6° | 120.0° |
| C15 | C19 | O20 | H20 | 115.3° | 180.0° |
| C17 | C16 | O23 | H16 | 117.9° | 120.1° |
| C16 | C17 | C18 | O21 | 121.7° | 119.9° |
| C16 | C17 | C18 | H17 | 118.8° | 119.9° |
| C16 | C17 | O21 | H17 | 118.8° | 120.2° |
| C16 | C17 | C18 | O22 | 179.4° | 176.9° |
| C17 | C16 | O23 | C24 | 80.0° | 84.8° |
| C16 | C17 | C18 | H18 | 61.7° | 62.9° |
| C17 | C16 | C15 | H15 | 71.2° | 62.4° |
| C16 | C17 | O21 | H21 | 175.2° | 180.0° |
| O23 | C16 | C17 | C18 | 170.0° | 176.9° |
| O23 | C16 | C17 | O21 | 69.2° | 63.2° |
| C16 | O23 | C24 | O25 | 29.0° | 72.6° |
| C16 | O23 | C24 | C29 | 155.5° | 167.4° |
| O23 | C16 | C15 | H15 | 51.0° | 57.5° |
| O23 | C16 | C17 | H17 | 50.3° | 57.0° |
| C16 | O23 | C24 | H24 | 87.7° | 47.4° |
| C18 | C17 | O21 | H17 | 119.7° | 120.2° |
| C17 | C18 | O22 | H18 | 120.6° | 120.2° |
| C17 | C18 | C13 | H13 | 58.9° | 62.3° |
| C18 | C17 | C16 | H16 | 70.1° | 62.9° |
| C18 | C17 | O21 | H21 | 63.3° | 60.4° |
| C17 | C18 | O22 | H22 | 92.5° | 179.7° |
| O21 | C17 | C18 | O22 | 58.9° | 63.3° |
| O21 | C17 | C18 | H18 | 59.9° | 57.0° |
| O21 | C17 | C16 | H16 | 50.8° | 56.9° |
| O22 | C18 | C13 | H13 | 61.7° | 57.6° |
| O22 | C18 | C17 | H17 | 60.6° | 57.0° |
| O20 | C19 | C15 | H15 | 39.5° | 55.7° |
| O20 | C19 | H191 | H192 | 119.6° | 120.0° |
| O23 | C24 | O25 | C29 | 121.6° | 120.0° |
| O23 | C24 | O25 | H24 | 122.1° | 120.0° |
| O23 | C24 | C29 | H24 | 122.1° | 120.1° |
| O23 | C24 | O25 | C26 | 143.9° | 58.8° |
| O23 | C24 | C29 | C28 | 156.9° | 62.4° |
| O23 | C24 | C29 | O34 | 32.0° | 57.5° |
| C24 | O23 | C16 | H16 | 37.8° | 35.3° |
| O23 | C24 | C29 | H29 | 87.6° | 177.7° |
| O25 | C24 | C29 | H24 | 116.2° | 120.0° |
| C24 | O25 | C26 | C27 | 29.6° | 61.2° |
| C24 | O25 | C26 | C30 | 151.4° | 178.9° |
| O25 | C24 | C29 | C28 | 35.2° | 57.6° |
| O25 | C24 | C29 | O34 | 89.7° | 177.5° |
| O25 | C24 | C29 | H29 | 150.7° | 62.3° |
| C24 | O25 | C26 | H26 | 89.3° | 58.8° |
| C29 | C24 | O25 | C26 | 22.2° | 61.2° |
| C24 | C29 | C28 | C27 | 5.2° | 57.0° |
| C24 | C29 | C28 | O34 | 125.0° | 119.9° |
| C24 | C29 | C28 | H29 | 115.4° | 120.0° |
| C24 | C29 | C28 | O33 | 126.0° | 176.9° |
| C24 | C29 | O34 | H29 | 116.0° | 120.2° |
| C24 | C29 | C28 | H28 | 114.2° | 62.9° |
| C24 | C29 | O34 | H34 | 115.1° | 60.0° |
| O25 | C26 | C27 | C30 | 120.9° | 119.9° |
| O25 | C26 | C27 | H26 | 119.7° | 120.0° |
| O25 | C26 | C30 | H26 | 119.8° | 120.0° |
| O25 | C26 | C27 | C28 | 70.4° | 57.6° |
| O25 | C26 | C27 | O32 | 170.3° | 177.5° |
| O25 | C26 | C30 | O31 | 69.1° | 65.0° |
| C26 | O25 | C24 | H24 | 94.1° | 178.8° |
| O25 | C26 | C27 | H27 | 50.7° | 62.3° |
| O25 | C26 | C30 | H301 | 50.9° | 175.0° |
| O25 | C26 | C30 | H302 | 170.9° | 55.0° |
| C27 | C26 | C30 | H26 | 118.9° | 120.1° |
| C26 | C27 | C28 | O32 | 119.3° | 119.9° |
| C26 | C27 | C28 | H27 | 121.1° | 119.9° |
| C26 | C27 | O32 | H27 | 121.2° | 120.1° |
| C26 | C27 | C28 | C29 | 55.2° | 57.0° |
| C26 | C27 | C28 | O33 | 175.9° | 176.9° |
| C27 | C26 | C30 | O31 | 52.3° | 175.1° |
| C27 | C26 | C30 | H301 | 172.3° | 55.1° |
| C27 | C26 | C30 | H302 | 67.7° | 64.9° |
| C26 | C27 | C28 | H28 | 64.3° | 62.9° |
| C26 | C27 | O32 | H32 | 2.1° | 179.9° |
| C30 | C26 | C27 | C28 | 168.6° | 177.6° |
| C30 | C26 | C27 | O32 | 49.3° | 62.5° |
| C26 | C30 | O31 | H301 | 120.0° | 120.0° |
| C26 | C30 | O31 | H302 | 120.0° | 120.1° |
| C30 | C26 | C27 | H27 | 70.3° | 57.6° |
| C26 | C30 | H301 | H302 | 120.0° | 120.0° |
| C26 | C30 | O31 | H31 | 40.9° | 180.0° |
| C28 | C27 | O32 | H27 | 121.2° | 120.1° |
| C27 | C28 | C29 | O33 | 120.7° | 119.9° |
| C27 | C28 | C29 | H28 | 119.4° | 119.8° |
| C27 | C28 | O33 | H28 | 119.4° | 120.2° |
| C27 | C28 | C29 | O34 | 130.3° | 176.8° |
| C27 | C28 | C29 | H29 | 110.1° | 63.0° |
| C28 | C27 | C26 | H26 | 49.3° | 62.4° |
| C28 | C27 | O32 | H32 | 119.6° | 60.2° |
| C27 | C28 | O33 | H33 | 55.3° | 180.0° |
| O32 | C27 | C28 | C29 | 174.5° | 176.9° |
| O32 | C27 | C28 | O33 | 64.8° | 63.2° |
| O32 | C27 | C26 | H26 | 70.0° | 57.6° |
| O32 | C27 | C28 | H28 | 55.0° | 57.1° |
| C29 | C28 | O33 | H28 | 119.5° | 120.2° |
| C28 | C29 | O34 | H29 | 116.1° | 120.1° |
| C28 | C29 | C24 | H24 | 81.0° | 177.6° |
| C29 | C28 | C27 | H27 | 65.9° | 62.9° |
| C29 | C28 | O33 | H33 | 176.4° | 60.4° |
| C28 | C29 | O34 | H34 | 12.9° | 179.7° |
| O33 | C28 | C29 | O34 | 109.0° | 63.2° |
| O33 | C28 | C29 | H29 | 10.6° | 56.9° |
| O33 | C28 | C27 | H27 | 54.8° | 57.0° |
| O34 | C29 | C24 | H24 | 154.1° | 62.5° |
| O34 | C29 | C28 | H28 | 10.8° | 57.0° |
| O31 | C30 | C26 | H26 | 171.2° | 55.0° |
| O31 | C30 | H301 | H302 | 120.0° | 119.9° |
| H11C | C1 | C2 | H21C | 136.7° | 60.0° |
| H11C | C1 | C2 | H22C | 103.4° | 180.0° |
| H12C | C1 | C2 | H21C | 102.9° | 180.0° |
| H12C | C1 | C2 | H22C | 17.0° | 60.0° |
| H21C | C2 | C3 | H31C | 164.6° | 180.0° |
| H21C | C2 | C3 | H32C | 73.5° | 60.0° |
| H22C | C2 | C3 | H31C | 44.8° | 60.0° |
| H22C | C2 | C3 | H32C | 166.7° | NaN° |
| H31C | C3 | C4 | H41C | 169.1° | 180.0° |
| H31C | C3 | C4 | H42C | 49.4° | 60.0° |
| H32C | C3 | C4 | H41C | 69.0° | 60.0° |
| H32C | C3 | C4 | H42C | 171.3° | 180.0° |
| H41C | C4 | C6 | H6 | 82.5° | 175.0° |
| H42C | C4 | C6 | H6 | 157.8° | 65.1° |
| H6 | C6 | C7 | H71C | 94.7° | 180.0° |
| H6 | C6 | C7 | H72C | 25.9° | 60.0° |
| H6 | C6 | C11 | H111 | 41.2° | 60.0° |
| H6 | C6 | C11 | H112 | 160.8° | 180.0° |
| H71C | C7 | C8 | H81C | 69.4° | 60.0° |
| H71C | C7 | C8 | H82C | 50.6° | 180.0° |
| H72C | C7 | C8 | H81C | 170.0° | 60.0° |
| H72C | C7 | C8 | H82C | 70.0° | 60.0° |
| H111 | C11 | C10 | H101 | 46.8° | 60.1° |
| H111 | C11 | C10 | H102 | 73.3° | 60.0° |
| H112 | C11 | C10 | H101 | 72.8° | 59.9° |
| H112 | C11 | C10 | H102 | 167.1° | 180.0° |
| H81C | C8 | C9 | H91C | 37.8° | 60.0° |
| H81C | C8 | C9 | H92C | 157.5° | 60.0° |
| H82C | C8 | C9 | H91C | 82.2° | 179.9° |
| H82C | C8 | C9 | H92C | 37.5° | 59.9° |
| H91C | C9 | C10 | H101 | 28.6° | 60.0° |
| H91C | C9 | C10 | H102 | 148.6° | 180.0° |
| H92C | C9 | C10 | H101 | 91.1° | 60.1° |
| H92C | C9 | C10 | H102 | 28.9° | 60.0° |
| H13 | C13 | C18 | H18 | 179.6° | 177.8° |
| H18 | C18 | C17 | H17 | 179.4° | 177.2° |
| H18 | C18 | O22 | H22 | 146.9° | 60.2° |
| H15 | C15 | C16 | H16 | 171.0° | 177.7° |
| H15 | C15 | C19 | H191 | 159.5° | 64.3° |
| H15 | C15 | C19 | H192 | 80.1° | 175.7° |
| H16 | C16 | C17 | H17 | 170.2° | 177.2° |
| H191 | C19 | O20 | H20 | 4.7° | 60.0° |
| H192 | C19 | O20 | H20 | 125.1° | 60.0° |
| H17 | C17 | O21 | H21 | 56.4° | 59.8° |
| H24 | C24 | C29 | H29 | 34.5° | 57.6° |
| H29 | C29 | C28 | H28 | 130.4° | 177.2° |
| H29 | C29 | O34 | H34 | 129.0° | 60.2° |
| H26 | C26 | C27 | H27 | 170.4° | 177.7° |
| H26 | C26 | C30 | H301 | 68.9° | 65.0° |
| H26 | C26 | C30 | H302 | 51.2° | 175.0° |
| H27 | C27 | C28 | H28 | 174.6° | 177.2° |
| H27 | C27 | O32 | H32 | 119.2° | 59.9° |
| H301 | C30 | O31 | H31 | 79.1° | 60.0° |
| H302 | C30 | O31 | H31 | 160.9° | 60.0° |
| H28 | C28 | O33 | H33 | 64.1° | 59.8° |
