TIR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.45Å | |
| N | C22 | sing | 1.34Å | 1.38Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C22 | O6 | doub | 1.22Å | 1.29Å | |
| C22 | C3 | sing | 1.46Å | 1.48Å | |
| C2 | O1 | doub | 1.21Å | 1.30Å | |
| C2 | C3 | sing | 1.41Å | 1.46Å | |
| C3 | C4 | doub | 1.40Å | 1.46Å | |
| C4 | O5 | sing | 1.35Å | 1.31Å | |
| C4 | C5 | sing | 1.41Å | 1.48Å | |
| C5 | C6 | doub | 1.36Å | 1.33Å | |
| C6 | C7 | sing | 1.42Å | 1.47Å | |
| C21 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | doub | 1.34Å | 1.38Å | |
| O3 | C13 | sing | 1.45Å | 1.43Å | |
| O3 | C11 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.52Å | 1.53Å | |
| C13 | C16 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.52Å | 1.55Å | |
| C14 | C10 | sing | 1.53Å | 1.57Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | O2 | sing | 1.44Å | 1.44Å | |
| C11 | C18 | sing | 1.51Å | 1.54Å | |
| C16 | O4 | sing | 1.42Å | 1.38Å | |
| C16 | C17 | sing | 1.50Å | 1.50Å | |
| O2 | C10 | sing | 1.44Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | doub | 1.30Å | 1.38Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H212 | sing | 1.09Å | 1.10Å | |
| C12 | H312 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.11Å | 1.10Å | |
| C15 | H115 | sing | 1.09Å | 1.10Å | |
| C15 | H215 | sing | 1.09Å | 1.10Å | |
| C15 | H315 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.11Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H119 | sing | 1.09Å | 1.10Å | |
| C19 | H219 | sing | 1.09Å | 1.10Å | |
| C19 | H319 | sing | 1.09Å | 1.10Å | |
| C20 | H120 | sing | 1.09Å | 1.10Å | |
| C20 | H220 | sing | 1.09Å | 1.10Å | |
| C20 | H320 | sing | 1.09Å | 1.10Å | |
| C21 | H121 | sing | 1.09Å | 1.10Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C21 | H321 | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | C22 | 108.9° | 109.0° |
| N | C1 | C2 | 103.0° | 106.2° |
| N | C1 | H11 | 111.7° | 110.1° |
| C1 | N | HN | 125.5° | 125.5° |
| N | C1 | H12 | 113.1° | 110.0° |
| N | C22 | O6 | 122.0° | 124.7° |
| N | C22 | C3 | 115.0° | 110.6° |
| C22 | N | HN | 125.6° | 125.5° |
| C1 | C2 | O1 | 122.0° | 127.1° |
| C1 | C2 | C3 | 114.6° | 105.8° |
| C2 | C1 | H11 | 111.7° | 110.1° |
| C2 | C1 | H12 | 113.1° | 110.1° |
| O6 | C22 | C3 | 123.0° | 124.7° |
| C22 | C3 | C2 | 98.6° | 108.4° |
| C22 | C3 | C4 | 131.2° | 125.8° |
| O1 | C2 | C3 | 123.4° | 127.1° |
| C2 | C3 | C4 | 130.2° | 125.8° |
| C3 | C4 | O5 | 116.7° | 120.0° |
| C3 | C4 | C5 | 121.8° | 120.0° |
| O5 | C4 | C5 | 121.4° | 120.0° |
| C4 | O5 | HO5 | 109.5° | 114.1° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | C7 | 121.6° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 119.2° | 120.0° |
| C6 | C7 | C21 | 120.1° | 120.1° |
| C6 | C7 | C8 | 116.2° | 120.0° |
| C7 | C6 | H6 | 119.2° | 120.1° |
| C21 | C7 | C8 | 123.7° | 120.0° |
| C7 | C21 | H121 | 109.5° | 109.5° |
| C7 | C21 | H221 | 109.5° | 109.5° |
| C7 | C21 | H321 | 109.4° | 109.4° |
| C7 | C8 | C9 | 124.2° | 120.0° |
| C7 | C8 | H8 | 117.9° | 120.0° |
| C13 | O3 | C11 | 112.0° | 112.4° |
| O3 | C13 | C14 | 109.5° | 107.9° |
| O3 | C13 | C16 | 105.1° | 107.8° |
| O3 | C13 | H13 | 116.1° | 106.9° |
| O3 | C11 | C12 | 107.7° | 110.4° |
| O3 | C11 | O2 | 106.0° | 109.0° |
| O3 | C11 | C18 | 113.6° | 109.5° |
| C14 | C13 | C16 | 118.7° | 116.7° |
| C13 | C14 | C15 | 111.7° | 113.3° |
| C13 | C14 | C10 | 110.9° | 110.5° |
| C14 | C13 | H13 | 101.6° | 108.5° |
| C13 | C14 | H14 | 108.9° | 107.3° |
| C13 | C16 | O4 | 112.7° | 113.4° |
| C13 | C16 | C17 | 117.4° | 111.7° |
| C16 | C13 | H13 | 106.4° | 108.6° |
| C13 | C16 | H16 | 101.1° | 107.4° |
| C8 | C9 | C10 | 112.5° | 109.5° |
| C8 | C9 | C20 | 106.8° | 109.5° |
| C9 | C8 | H8 | 117.9° | 120.0° |
| C8 | C9 | H9 | 112.1° | 109.4° |
| C15 | C14 | C10 | 114.6° | 111.0° |
| C15 | C14 | H14 | 104.8° | 107.5° |
| C14 | C15 | H115 | 109.5° | 109.5° |
| C14 | C15 | H215 | 109.5° | 109.4° |
| C14 | C15 | H315 | 109.5° | 109.5° |
| C14 | C10 | O2 | 109.5° | 107.8° |
| C14 | C10 | C9 | 113.6° | 109.5° |
| C14 | C10 | H10 | 105.4° | 110.1° |
| C10 | C14 | H14 | 105.6° | 106.9° |
| C12 | C11 | O2 | 110.7° | 110.4° |
| C12 | C11 | C18 | 110.8° | 110.3° |
| C11 | C12 | H112 | 109.5° | 109.4° |
| C11 | C12 | H212 | 109.5° | 109.5° |
| C11 | C12 | H312 | 109.5° | 109.5° |
| O2 | C11 | C18 | 107.8° | 107.2° |
| C11 | O2 | C10 | 116.1° | 112.4° |
| C11 | C18 | C17 | 121.3° | 121.8° |
| C11 | C18 | C19 | 118.4° | 119.0° |
| O4 | C16 | C17 | 110.0° | 110.0° |
| C16 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C16 | H16 | 110.2° | 107.2° |
| C16 | C17 | C18 | 115.6° | 122.6° |
| C17 | C16 | H16 | 104.5° | 106.7° |
| C16 | C17 | H17 | 122.2° | 118.6° |
| O2 | C10 | C9 | 105.5° | 109.4° |
| O2 | C10 | H10 | 113.6° | 110.3° |
| C10 | C9 | C20 | 116.4° | 109.5° |
| C10 | C9 | H9 | 101.3° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.7° |
| C20 | C9 | H9 | 107.7° | 109.5° |
| C9 | C20 | H120 | 109.5° | 109.4° |
| C9 | C20 | H220 | 109.5° | 109.5° |
| C9 | C20 | H320 | 109.4° | 109.5° |
| C17 | C18 | C19 | 120.1° | 119.1° |
| C18 | C17 | H17 | 122.2° | 118.8° |
| C18 | C19 | H119 | 109.5° | 109.5° |
| C18 | C19 | H219 | 109.5° | 109.5° |
| C18 | C19 | H319 | 109.4° | 109.5° |
| H11 | C1 | H12 | 104.6° | 110.1° |
| H112 | C12 | H212 | 109.4° | 109.5° |
| H112 | C12 | H312 | 109.4° | 109.5° |
| H212 | C12 | H312 | 109.5° | 109.5° |
| H115 | C15 | H215 | 109.4° | 109.5° |
| H115 | C15 | H315 | 109.4° | 109.5° |
| H215 | C15 | H315 | 109.5° | 109.5° |
| H119 | C19 | H219 | 109.5° | 109.5° |
| H119 | C19 | H319 | 109.5° | 109.5° |
| H219 | C19 | H319 | 109.5° | 109.5° |
| H120 | C20 | H220 | 109.4° | 109.5° |
| H120 | C20 | H320 | 109.4° | 109.5° |
| H220 | C20 | H320 | 109.5° | 109.5° |
| H121 | C21 | H221 | 109.5° | 109.5° |
| H121 | C21 | H321 | 109.5° | 109.5° |
| H221 | C21 | H321 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | C22 | HN | 180.0° | 179.8° |
| N | C1 | C2 | H11 | 120.0° | 119.2° |
| N | C1 | C2 | H12 | 122.3° | 119.1° |
| C1 | N | C22 | O6 | 179.6° | 180.0° |
| C1 | N | C22 | C3 | 0.3° | 0.1° |
| N | C1 | C2 | O1 | 178.0° | 180.0° |
| N | C1 | C2 | C3 | 0.9° | 0.0° |
| N | C1 | H11 | H12 | 122.6° | 121.5° |
| C22 | N | C1 | C2 | 0.7° | 0.0° |
| N | C22 | O6 | C3 | 179.3° | 179.9° |
| N | C22 | C3 | C2 | 0.2° | 0.0° |
| N | C22 | C3 | C4 | 179.7° | 180.0° |
| C22 | N | C1 | H11 | 119.3° | 119.2° |
| C22 | N | C1 | H12 | 123.0° | 119.2° |
| C1 | C2 | C3 | C22 | 0.7° | 0.0° |
| C1 | C2 | O1 | C3 | 176.9° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 179.9° |
| C2 | C1 | H11 | H12 | 122.6° | 121.6° |
| C2 | C1 | N | HN | 179.4° | 179.7° |
| O6 | C22 | C3 | C2 | 179.1° | 180.0° |
| O6 | C22 | C3 | C4 | 0.4° | 0.1° |
| O6 | C22 | N | HN | 0.4° | 0.2° |
| C22 | C3 | C2 | O1 | 177.8° | 180.0° |
| C22 | C3 | C2 | C4 | 179.5° | 179.9° |
| C22 | C3 | C4 | O5 | 0.9° | 0.1° |
| C22 | C3 | C4 | C5 | 175.8° | 180.0° |
| C3 | C22 | N | HN | 179.7° | 179.7° |
| O1 | C2 | C3 | C4 | 2.8° | 0.1° |
| O1 | C2 | C1 | H11 | 58.0° | 60.8° |
| O1 | C2 | C1 | H12 | 59.7° | 60.8° |
| C2 | C3 | C4 | O5 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 3.5° | 0.0° |
| C3 | C2 | C1 | H11 | 119.1° | 119.2° |
| C3 | C2 | C1 | H12 | 123.2° | 119.1° |
| C3 | C4 | O5 | C5 | 176.6° | 180.0° |
| C3 | C4 | C5 | C6 | 177.8° | 174.6° |
| C3 | C4 | C5 | H5 | 2.2° | 5.5° |
| C3 | C4 | O5 | HO5 | 2.8° | 175.1° |
| O5 | C4 | C5 | C6 | 1.3° | 5.5° |
| O5 | C4 | C5 | H5 | 178.7° | 174.5° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 176.6° | 174.6° |
| C4 | C5 | C6 | H6 | 3.5° | 5.4° |
| C5 | C4 | O5 | HO5 | 179.5° | 4.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C21 | 25.6° | 0.0° |
| C5 | C6 | C7 | C8 | 154.3° | 180.0° |
| C6 | C7 | C21 | C8 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 178.3° | 172.8° |
| C7 | C6 | C5 | H5 | 3.4° | 5.4° |
| C6 | C7 | C8 | H8 | 1.7° | 7.2° |
| C6 | C7 | C21 | H121 | 29.1° | 95.6° |
| C6 | C7 | C21 | H221 | 90.9° | 144.4° |
| C6 | C7 | C21 | H321 | 149.1° | 24.4° |
| C21 | C7 | C8 | C9 | 1.8° | 7.2° |
| C21 | C7 | C6 | H6 | 154.4° | 180.0° |
| C21 | C7 | C8 | H8 | 178.2° | 172.8° |
| C7 | C21 | H121 | H221 | 120.0° | 120.0° |
| C7 | C21 | H121 | H321 | 120.0° | 119.9° |
| C7 | C21 | H221 | H321 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 92.1° | 128.4° |
| C7 | C8 | C9 | C20 | 139.0° | 111.6° |
| C8 | C7 | C6 | H6 | 25.7° | 0.0° |
| C7 | C8 | C9 | H9 | 21.3° | 8.4° |
| C8 | C7 | C21 | H121 | 150.8° | 84.5° |
| C8 | C7 | C21 | H221 | 89.2° | 35.5° |
| C8 | C7 | C21 | H321 | 30.8° | 155.5° |
| O3 | C13 | C14 | C16 | 120.5° | 121.5° |
| O3 | C13 | C14 | H13 | 123.3° | 115.5° |
| O3 | C13 | C16 | H13 | 123.6° | 115.5° |
| O3 | C13 | C14 | C15 | 178.0° | 179.7° |
| O3 | C13 | C14 | C10 | 48.9° | 55.0° |
| C13 | O3 | C11 | C12 | 175.0° | 176.7° |
| C13 | O3 | C11 | O2 | 66.4° | 61.9° |
| C13 | O3 | C11 | C18 | 51.9° | 55.0° |
| O3 | C13 | C16 | O4 | 178.6° | 168.8° |
| O3 | C13 | C16 | C17 | 52.0° | 43.8° |
| O3 | C13 | C14 | H14 | 66.9° | 61.2° |
| O3 | C13 | C16 | H16 | 60.9° | 72.9° |
| C11 | O3 | C13 | C14 | 62.1° | 58.8° |
| C11 | O3 | C13 | C16 | 66.4° | 68.1° |
| O3 | C11 | C12 | O2 | 115.5° | 120.6° |
| O3 | C11 | C12 | C18 | 124.8° | 121.2° |
| O3 | C11 | O2 | C18 | 122.0° | 118.4° |
| O3 | C11 | O2 | C10 | 63.0° | 62.2° |
| O3 | C11 | C18 | C17 | 18.4° | 20.7° |
| O3 | C11 | C18 | C19 | 165.8° | 159.2° |
| O3 | C11 | C12 | H112 | 157.6° | 60.0° |
| O3 | C11 | C12 | H212 | 82.4° | 180.0° |
| O3 | C11 | C12 | H312 | 37.6° | 60.0° |
| C11 | O3 | C13 | H13 | 176.4° | 175.4° |
| C14 | C13 | C16 | H13 | 113.6° | 123.0° |
| C13 | C14 | C15 | C10 | 127.1° | 125.0° |
| C13 | C14 | C15 | H14 | 117.7° | 118.4° |
| C13 | C14 | C10 | H14 | 117.8° | 116.5° |
| C14 | C13 | C16 | O4 | 58.7° | 47.2° |
| C14 | C13 | C16 | C17 | 70.7° | 77.8° |
| C13 | C14 | C10 | O2 | 43.9° | 55.2° |
| C13 | C14 | C10 | C9 | 161.6° | 174.1° |
| C13 | C14 | C10 | H10 | 78.6° | 65.2° |
| C13 | C14 | C15 | H115 | 83.5° | 64.4° |
| C13 | C14 | C15 | H215 | 156.5° | 175.6° |
| C13 | C14 | C15 | H315 | 36.4° | 55.6° |
| C14 | C13 | C16 | H16 | 176.3° | 165.5° |
| C16 | C13 | C14 | C15 | 57.4° | 58.8° |
| C16 | C13 | C14 | C10 | 71.6° | 66.5° |
| C13 | C16 | O4 | C17 | 133.1° | 125.9° |
| C13 | C16 | O4 | H16 | 112.2° | 118.4° |
| C13 | C16 | C17 | H16 | 111.1° | 117.1° |
| C13 | C16 | C17 | C18 | 22.1° | 13.0° |
| C13 | C16 | O4 | HO4 | 44.2° | 180.0° |
| C16 | C13 | C14 | H14 | 172.6° | 177.3° |
| C13 | C16 | C17 | H17 | 158.0° | 167.0° |
| C8 | C9 | C10 | C14 | 70.1° | 60.1° |
| C8 | C9 | C10 | O2 | 49.8° | 57.8° |
| C8 | C9 | C10 | C20 | 123.7° | 120.0° |
| C8 | C9 | C10 | H9 | 119.8° | 119.9° |
| C8 | C9 | C20 | H9 | 120.5° | 119.9° |
| C8 | C9 | C10 | H10 | 172.4° | 178.9° |
| C8 | C9 | C20 | H120 | 19.4° | 64.9° |
| C8 | C9 | C20 | H220 | 100.6° | 175.1° |
| C8 | C9 | C20 | H320 | 139.4° | 55.1° |
| C15 | C14 | C10 | H14 | 114.7° | 116.9° |
| C15 | C14 | C10 | O2 | 171.4° | 178.2° |
| C15 | C14 | C10 | C9 | 70.9° | 59.3° |
| C15 | C14 | C10 | H10 | 48.9° | 61.4° |
| C15 | C14 | C13 | H13 | 58.7° | 64.2° |
| C14 | C15 | H115 | H215 | 120.0° | 120.0° |
| C14 | C15 | H115 | H315 | 120.0° | 120.0° |
| C14 | C15 | H215 | H315 | 120.0° | 120.0° |
| C14 | C10 | O2 | C11 | 52.8° | 58.8° |
| C14 | C10 | O2 | C9 | 122.6° | 119.0° |
| C14 | C10 | O2 | H10 | 117.5° | 120.3° |
| C14 | C10 | C9 | H10 | 117.5° | 121.0° |
| C14 | C10 | C9 | C20 | 166.2° | 179.8° |
| C14 | C10 | C9 | H9 | 49.7° | 59.8° |
| C10 | C14 | C13 | H13 | 172.2° | 170.5° |
| C10 | C14 | C15 | H115 | 149.4° | 170.6° |
| C10 | C14 | C15 | H215 | 29.4° | 50.6° |
| C10 | C14 | C15 | H315 | 90.7° | 69.4° |
| C12 | C11 | O2 | C18 | 121.4° | 120.2° |
| C12 | C11 | O2 | C10 | 179.6° | 176.4° |
| C12 | C11 | C18 | C17 | 139.8° | 142.3° |
| C12 | C11 | C18 | C19 | 44.4° | 37.5° |
| C11 | C12 | H112 | H212 | 120.0° | 120.0° |
| C11 | C12 | H112 | H312 | 120.0° | 120.0° |
| C11 | C12 | H212 | H312 | 120.0° | 120.0° |
| C11 | O2 | C10 | C9 | 175.4° | 177.8° |
| O2 | C11 | C18 | C17 | 98.8° | 97.4° |
| O2 | C11 | C18 | C19 | 76.9° | 82.8° |
| C11 | O2 | C10 | H10 | 64.7° | 61.4° |
| O2 | C11 | C12 | H112 | 86.8° | 179.5° |
| O2 | C11 | C12 | H212 | 33.1° | 59.4° |
| O2 | C11 | C12 | H312 | 153.2° | 60.6° |
| C11 | C18 | C17 | C16 | 4.4° | 0.9° |
| C18 | C11 | O2 | C10 | 59.0° | 56.2° |
| C11 | C18 | C17 | C19 | 175.7° | 179.8° |
| C18 | C11 | C12 | H112 | 32.8° | 61.2° |
| C18 | C11 | C12 | H212 | 152.8° | 58.8° |
| C18 | C11 | C12 | H312 | 87.2° | 178.8° |
| C11 | C18 | C17 | H17 | 175.7° | 179.1° |
| C11 | C18 | C19 | H119 | 127.9° | 90.0° |
| C11 | C18 | C19 | H219 | 7.9° | 150.0° |
| C11 | C18 | C19 | H319 | 112.1° | 30.0° |
| O4 | C16 | C17 | H16 | 118.3° | 116.0° |
| O4 | C16 | C17 | C18 | 152.7° | 139.8° |
| O4 | C16 | C13 | H13 | 54.9° | 75.8° |
| O4 | C16 | C17 | H17 | 27.3° | 40.2° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 180.0° | 178.9° |
| C17 | C16 | O4 | HO4 | 177.3° | 54.1° |
| C17 | C16 | C13 | H13 | 175.7° | 159.3° |
| O2 | C10 | C9 | H10 | 122.6° | 121.1° |
| O2 | C10 | C9 | C20 | 73.9° | 62.3° |
| O2 | C10 | C9 | H9 | 169.7° | 177.7° |
| O2 | C10 | C14 | H14 | 73.8° | 61.3° |
| C10 | C9 | C20 | H9 | 112.9° | 120.0° |
| C10 | C9 | C8 | H8 | 87.9° | 51.6° |
| C9 | C10 | C14 | H14 | 43.8° | 57.6° |
| C10 | C9 | C20 | H120 | 146.0° | 55.2° |
| C10 | C9 | C20 | H220 | 26.0° | 64.8° |
| C10 | C9 | C20 | H320 | 94.1° | 175.1° |
| C20 | C9 | C8 | H8 | 41.0° | 68.5° |
| C20 | C9 | C10 | H10 | 48.7° | 58.9° |
| C9 | C20 | H120 | H220 | 120.0° | 120.0° |
| C9 | C20 | H120 | H320 | 120.0° | 120.0° |
| C9 | C20 | H220 | H320 | 120.0° | 120.0° |
| C18 | C17 | C16 | H16 | 89.0° | 104.2° |
| C17 | C18 | C19 | H119 | 47.9° | 89.9° |
| C17 | C18 | C19 | H219 | 167.9° | 30.1° |
| C17 | C18 | C19 | H319 | 72.1° | 150.2° |
| C19 | C18 | C17 | H17 | 0.0° | 1.1° |
| C18 | C19 | H119 | H219 | 120.0° | 120.0° |
| C18 | C19 | H119 | H319 | 120.0° | 120.0° |
| C18 | C19 | H219 | H319 | 120.0° | 120.0° |
| H11 | C1 | N | HN | 60.7° | 61.0° |
| HO4 | O4 | C16 | H16 | 68.0° | 61.6° |
| H5 | C5 | C6 | H6 | 176.6° | 174.6° |
| H8 | C8 | C9 | H9 | 158.7° | 171.6° |
| H9 | C9 | C10 | H10 | 67.8° | 61.1° |
| H9 | C9 | C20 | H120 | 101.2° | 175.2° |
| H9 | C9 | C20 | H220 | 138.9° | 55.2° |
| H9 | C9 | C20 | H320 | 18.8° | 64.8° |
| H10 | C10 | C14 | H14 | 163.6° | 178.3° |
| H112 | C12 | H212 | H312 | 119.9° | 120.0° |
| H13 | C13 | C14 | H14 | 56.5° | 54.3° |
| H13 | C13 | C16 | H16 | 62.7° | 42.5° |
| H14 | C14 | C15 | H115 | 34.1° | 54.0° |
| H14 | C14 | C15 | H215 | 85.9° | 66.0° |
| H14 | C14 | C15 | H315 | 154.1° | 174.0° |
| H115 | C15 | H215 | H315 | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 91.0° | 75.8° |
| H119 | C19 | H219 | H319 | 120.0° | 120.0° |
| H120 | C20 | H220 | H320 | 120.0° | 120.0° |
| H121 | C21 | H221 | H321 | 120.0° | 120.0° |
| HN | N | C1 | H12 | 57.0° | 60.6° |
