U0E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.25Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13A | sing | 1.09Å | 1.11Å | |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C11 | sing | 1.53Å | 1.57Å | |
| C3 | N1 | sing | 1.46Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C10 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | O2 | sing | 1.43Å | 1.42Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | C17 | sing | 1.51Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | N2 | sing | 1.35Å | 1.33Å | |
| C17 | O3 | doub | 1.21Å | 1.25Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C22 | sing | 1.51Å | 1.52Å | |
| C18 | N2 | sing | 1.47Å | 1.45Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | N3 | sing | 1.35Å | 1.32Å | |
| C21 | O4 | doub | 1.21Å | 1.22Å | |
| C22 | N4 | sing | 1.35Å | 1.32Å | |
| C22 | O5 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | N4 | sing | 1.46Å | 1.44Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C24 | N5 | sing | 1.35Å | 1.32Å | |
| C24 | O6 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | N6 | sing | 1.47Å | 1.46Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | N6 | sing | 1.37Å | 1.33Å | |
| C28 | N7 | doub | 1.30Å | 1.33Å | |
| C28 | N8 | sing | 1.38Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| N5 | HN51 | sing | 0.97Å | 1.02Å | |
| N5 | HN52 | sing | 0.97Å | 1.02Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| N8 | HN81 | sing | 0.97Å | 1.02Å | |
| N8 | HN82 | sing | 0.97Å | 1.02Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11A | 114.7° | 109.5° |
| C2 | C1 | H12 | 110.2° | 109.5° |
| C2 | C1 | H13A | 110.3° | 109.5° |
| C1 | C2 | N1 | 114.7° | 120.0° |
| C1 | C2 | O1 | 121.3° | 120.1° |
| H11A | C1 | H12 | 110.4° | 109.4° |
| H11A | C1 | H13A | 110.3° | 109.4° |
| H12 | C1 | H13A | 100.0° | 109.5° |
| N1 | C2 | O1 | 124.0° | 120.0° |
| C2 | N1 | C3 | 124.0° | 119.9° |
| C2 | N1 | HN1 | 113.2° | 120.0° |
| C4 | C3 | C11 | 108.3° | 109.5° |
| C4 | C3 | N1 | 110.2° | 109.4° |
| C4 | C3 | H3 | 111.0° | 109.5° |
| C3 | C4 | C5 | 122.2° | 109.5° |
| C3 | C4 | H41 | 107.7° | 109.5° |
| C3 | C4 | H42 | 107.7° | 109.4° |
| C11 | C3 | N1 | 112.9° | 109.5° |
| C11 | C3 | H3 | 108.2° | 109.4° |
| C3 | C11 | C12 | 111.6° | 109.5° |
| C3 | C11 | O2 | 110.6° | 109.4° |
| C3 | C11 | H11 | 107.1° | 109.5° |
| N1 | C3 | H3 | 106.3° | 109.5° |
| C3 | N1 | HN1 | 122.9° | 120.0° |
| C5 | C4 | H41 | 107.7° | 109.5° |
| C5 | C4 | H42 | 107.7° | 109.5° |
| C4 | C5 | C6 | 113.0° | 109.5° |
| C4 | C5 | C10 | 112.1° | 109.5° |
| C4 | C5 | H5 | 105.1° | 109.4° |
| H41 | C4 | H42 | 102.1° | 109.4° |
| C6 | C5 | C10 | 109.4° | 109.5° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | C7 | 111.3° | 109.5° |
| C5 | C6 | H61 | 111.5° | 109.5° |
| C5 | C6 | H62 | 111.6° | 109.5° |
| C10 | C5 | H5 | 109.1° | 109.5° |
| C5 | C10 | C9 | 112.2° | 109.5° |
| C5 | C10 | H101 | 111.2° | 109.5° |
| C5 | C10 | H102 | 111.2° | 109.4° |
| C7 | C6 | H61 | 111.5° | 109.5° |
| C7 | C6 | H62 | 111.5° | 109.4° |
| C6 | C7 | C8 | 110.7° | 109.5° |
| C6 | C7 | H71 | 111.7° | 109.4° |
| C6 | C7 | H72 | 111.8° | 109.5° |
| H61 | C6 | H62 | 98.8° | 109.5° |
| C8 | C7 | H71 | 111.8° | 109.5° |
| C8 | C7 | H72 | 111.8° | 109.5° |
| C7 | C8 | C9 | 114.1° | 109.5° |
| C7 | C8 | H81 | 110.5° | 109.5° |
| C7 | C8 | H82 | 110.5° | 109.6° |
| H71 | C7 | H72 | 98.6° | 109.5° |
| C9 | C8 | H81 | 110.6° | 109.4° |
| C9 | C8 | H82 | 110.5° | 109.4° |
| C8 | C9 | C10 | 111.6° | 109.5° |
| C8 | C9 | H91 | 111.4° | 109.5° |
| C8 | C9 | H92 | 111.4° | 109.5° |
| H81 | C8 | H82 | 99.8° | 109.4° |
| C10 | C9 | H91 | 111.4° | 109.5° |
| C10 | C9 | H92 | 111.4° | 109.4° |
| C9 | C10 | H101 | 111.2° | 109.5° |
| C9 | C10 | H102 | 111.2° | 109.5° |
| H91 | C9 | H92 | 98.9° | 109.4° |
| H101 | C10 | H102 | 99.2° | 109.5° |
| C12 | C11 | O2 | 108.9° | 109.5° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C11 | C12 | C13 | 112.0° | 109.5° |
| C11 | C12 | H121 | 111.3° | 109.4° |
| C11 | C12 | H122 | 111.3° | 109.4° |
| O2 | C11 | H11 | 109.9° | 109.4° |
| C11 | O2 | HO2 | 110.5° | 106.7° |
| C13 | C12 | H121 | 111.2° | 109.5° |
| C13 | C12 | H122 | 111.2° | 109.5° |
| C12 | C13 | C14 | 110.1° | 109.4° |
| C12 | C13 | C17 | 109.1° | 109.4° |
| C12 | C13 | H13 | 110.7° | 109.5° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| C14 | C13 | C17 | 113.3° | 109.5° |
| C14 | C13 | H13 | 106.3° | 109.5° |
| C13 | C14 | C15 | 112.5° | 109.5° |
| C13 | C14 | C16 | 111.5° | 109.5° |
| C13 | C14 | H14 | 106.6° | 109.5° |
| C17 | C13 | H13 | 107.3° | 109.5° |
| C13 | C17 | N2 | 115.2° | 119.9° |
| C13 | C17 | O3 | 122.2° | 120.0° |
| C15 | C14 | C16 | 111.4° | 109.4° |
| C15 | C14 | H14 | 106.7° | 109.5° |
| C14 | C15 | H151 | 112.5° | 109.5° |
| C14 | C15 | H152 | 111.1° | 109.4° |
| C14 | C15 | H153 | 111.1° | 109.5° |
| C16 | C14 | H14 | 107.8° | 109.5° |
| C14 | C16 | H161 | 111.5° | 109.4° |
| C14 | C16 | H162 | 111.5° | 109.5° |
| C14 | C16 | H163 | 111.5° | 109.5° |
| H151 | C15 | H152 | 111.1° | 109.5° |
| H151 | C15 | H153 | 111.0° | 109.5° |
| H152 | C15 | H153 | 99.3° | 109.5° |
| H161 | C16 | H162 | 111.4° | 109.5° |
| H161 | C16 | H163 | 111.5° | 109.6° |
| H162 | C16 | H163 | 98.9° | 109.4° |
| N2 | C17 | O3 | 122.6° | 120.0° |
| C17 | N2 | C18 | 119.4° | 120.0° |
| C17 | N2 | HN2 | 116.0° | 120.0° |
| C19 | C18 | C22 | 113.1° | 109.5° |
| C19 | C18 | N2 | 111.2° | 109.4° |
| C19 | C18 | H18 | 106.3° | 109.5° |
| C18 | C19 | C20 | 116.9° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.6° | 109.5° |
| C22 | C18 | N2 | 111.2° | 109.5° |
| C22 | C18 | H18 | 106.3° | 109.4° |
| C18 | C22 | N4 | 114.6° | 120.0° |
| C18 | C22 | O5 | 121.6° | 120.0° |
| N2 | C18 | H18 | 108.4° | 109.5° |
| C18 | N2 | HN2 | 124.6° | 120.0° |
| C20 | C19 | H191 | 109.5° | 109.5° |
| C20 | C19 | H192 | 109.5° | 109.4° |
| C19 | C20 | C21 | 112.6° | 109.5° |
| C19 | C20 | H201 | 111.1° | 109.5° |
| C19 | C20 | H202 | 111.1° | 109.4° |
| H191 | C19 | H192 | 100.6° | 109.5° |
| C21 | C20 | H201 | 111.0° | 109.5° |
| C21 | C20 | H202 | 111.1° | 109.5° |
| C20 | C21 | N3 | 116.7° | 120.0° |
| C20 | C21 | O4 | 120.7° | 120.0° |
| H201 | C20 | H202 | 99.3° | 109.5° |
| N3 | C21 | O4 | 122.6° | 120.0° |
| C21 | N3 | HN31 | 122.6° | 119.9° |
| C21 | N3 | HN32 | 116.7° | 120.0° |
| N4 | C22 | O5 | 123.8° | 120.0° |
| C22 | N4 | C23 | 121.9° | 120.0° |
| C22 | N4 | HN4 | 114.5° | 120.0° |
| C24 | C23 | C25 | 110.3° | 109.4° |
| C24 | C23 | N4 | 105.0° | 109.5° |
| C24 | C23 | H23 | 112.2° | 109.5° |
| C23 | C24 | N5 | 112.4° | 120.0° |
| C23 | C24 | O6 | 123.6° | 120.0° |
| C25 | C23 | N4 | 110.5° | 109.5° |
| C25 | C23 | H23 | 106.9° | 109.4° |
| C23 | C25 | C26 | 113.9° | 109.4° |
| C23 | C25 | H251 | 110.6° | 109.4° |
| C23 | C25 | H252 | 110.6° | 109.5° |
| N4 | C23 | H23 | 112.0° | 109.5° |
| C23 | N4 | HN4 | 123.5° | 120.0° |
| N5 | C24 | O6 | 123.9° | 120.0° |
| C24 | N5 | HN51 | 124.0° | 120.0° |
| C24 | N5 | HN52 | 112.4° | 119.9° |
| C26 | C25 | H251 | 110.6° | 109.5° |
| C26 | C25 | H252 | 110.6° | 109.5° |
| C25 | C26 | C27 | 111.0° | 109.4° |
| C25 | C26 | H261 | 111.6° | 109.5° |
| C25 | C26 | H262 | 111.6° | 109.5° |
| H251 | C25 | H252 | 99.6° | 109.5° |
| C27 | C26 | H261 | 111.7° | 109.4° |
| C27 | C26 | H262 | 111.7° | 109.5° |
| C26 | C27 | N6 | 111.7° | 109.4° |
| C26 | C27 | H271 | 111.4° | 109.4° |
| C26 | C27 | H272 | 111.3° | 109.5° |
| H261 | C26 | H262 | 98.7° | 109.5° |
| N6 | C27 | H271 | 111.4° | 109.5° |
| N6 | C27 | H272 | 111.4° | 109.5° |
| C27 | N6 | C28 | 124.2° | 120.0° |
| C27 | N6 | HN6 | 107.0° | 120.0° |
| H271 | C27 | H272 | 99.0° | 109.5° |
| N6 | C28 | N7 | 120.3° | 120.0° |
| N6 | C28 | N8 | 119.9° | 120.0° |
| C28 | N6 | HN6 | 107.0° | 120.0° |
| N7 | C28 | N8 | 119.9° | 120.0° |
| C28 | N7 | HN7 | 98.3° | 120.0° |
| C28 | N8 | HN81 | 119.9° | 120.0° |
| C28 | N8 | HN82 | 108.5° | 119.9° |
| HN31 | N3 | HN32 | 120.7° | 120.1° |
| HN51 | N5 | HN52 | 123.6° | 120.0° |
| HN81 | N8 | HN82 | 108.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11A | H12 | 125.2° | 120.0° |
| C2 | C1 | H11A | H13A | 125.2° | 120.0° |
| C2 | C1 | H12 | H13A | 116.1° | 120.1° |
| C1 | C2 | N1 | O1 | 179.7° | 180.0° |
| C1 | C2 | N1 | C3 | 172.3° | 179.9° |
| C1 | C2 | N1 | HN1 | 7.7° | 0.2° |
| H11A | C1 | H12 | H13A | 116.2° | 119.9° |
| H11A | C1 | C2 | N1 | 180.0° | 60.0° |
| H11A | C1 | C2 | O1 | 0.3° | 120.0° |
| H12 | C1 | C2 | N1 | 54.7° | 180.0° |
| H12 | C1 | C2 | O1 | 125.0° | 0.0° |
| H13A | C1 | C2 | N1 | 54.7° | 60.0° |
| H13A | C1 | C2 | O1 | 125.5° | 120.0° |
| C2 | N1 | C3 | C4 | 125.2° | 142.6° |
| C2 | N1 | C3 | C11 | 113.7° | 97.4° |
| C2 | N1 | C3 | HN1 | 180.0° | 179.9° |
| C2 | N1 | C3 | H3 | 4.8° | 22.6° |
| O1 | C2 | N1 | C3 | 7.9° | 0.1° |
| O1 | C2 | N1 | HN1 | 172.1° | 179.8° |
| C4 | C3 | C11 | N1 | 122.2° | 120.0° |
| C4 | C3 | C11 | H3 | 120.4° | 120.0° |
| C4 | C3 | N1 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 113.2° | 120.0° |
| C3 | C4 | C5 | C6 | 21.8° | 180.0° |
| C3 | C4 | C5 | C10 | 102.3° | 60.0° |
| C3 | C4 | C5 | H5 | 139.4° | 60.0° |
| C4 | C3 | C11 | C12 | 171.4° | 179.5° |
| C4 | C3 | C11 | O2 | 50.1° | 59.5° |
| C4 | C3 | C11 | H11 | 69.6° | 60.4° |
| C4 | C3 | N1 | HN1 | 54.8° | 37.4° |
| C11 | C3 | N1 | H3 | 118.5° | 120.0° |
| C11 | C3 | C4 | C5 | 165.6° | 180.0° |
| C11 | C3 | C4 | H41 | 69.1° | 60.0° |
| C11 | C3 | C4 | H42 | 40.4° | 59.9° |
| C3 | C11 | C12 | O2 | 122.3° | 120.0° |
| C3 | C11 | C12 | H11 | 117.9° | 120.1° |
| C3 | C11 | O2 | H11 | 118.0° | 120.0° |
| C3 | C11 | C12 | C13 | 138.7° | 173.4° |
| C3 | C11 | C12 | H121 | 96.0° | 53.3° |
| C3 | C11 | C12 | H122 | 13.5° | 66.7° |
| C11 | C3 | N1 | HN1 | 66.3° | 82.6° |
| C3 | C11 | O2 | HO2 | 180.0° | 64.1° |
| N1 | C3 | C4 | C5 | 70.5° | 60.0° |
| N1 | C3 | C4 | H41 | 54.8° | 60.0° |
| N1 | C3 | C4 | H42 | 164.2° | 179.9° |
| N1 | C3 | C11 | C12 | 49.2° | 59.5° |
| N1 | C3 | C11 | O2 | 72.1° | 60.5° |
| N1 | C3 | C11 | H11 | 168.2° | 179.6° |
| H3 | C3 | C4 | C5 | 46.9° | 60.0° |
| H3 | C3 | C4 | H41 | 172.2° | 180.0° |
| H3 | C3 | C4 | H42 | 78.3° | 60.0° |
| H3 | C3 | C11 | C12 | 68.1° | 60.5° |
| H3 | C3 | C11 | O2 | 170.5° | 179.5° |
| H3 | C3 | C11 | H11 | 50.8° | 59.5° |
| H3 | C3 | N1 | HN1 | 175.2° | 157.4° |
| C5 | C4 | H41 | H42 | 113.2° | 120.0° |
| C4 | C5 | C6 | C10 | 125.6° | 120.0° |
| C4 | C5 | C6 | H5 | 115.8° | 119.9° |
| C4 | C5 | C10 | H5 | 115.9° | 120.0° |
| C4 | C5 | C6 | C7 | 173.3° | 180.0° |
| C4 | C5 | C6 | H61 | 48.0° | 60.0° |
| C4 | C5 | C6 | H62 | 61.5° | 60.0° |
| C4 | C5 | C10 | C9 | 174.5° | 180.0° |
| C4 | C5 | C10 | H101 | 60.3° | 60.0° |
| C4 | C5 | C10 | H102 | 49.3° | 60.0° |
| H41 | C4 | C5 | C6 | 147.1° | 60.0° |
| H41 | C4 | C5 | C10 | 23.0° | 180.0° |
| H41 | C4 | C5 | H5 | 95.3° | 60.0° |
| H42 | C4 | C5 | C6 | 103.4° | 60.0° |
| H42 | C4 | C5 | C10 | 132.5° | 60.0° |
| H42 | C4 | C5 | H5 | 14.2° | 180.0° |
| C6 | C5 | C10 | H5 | 118.0° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.5° | 120.0° |
| C5 | C6 | C7 | C8 | 55.8° | 60.0° |
| C5 | C6 | C7 | H71 | 69.5° | 60.0° |
| C5 | C6 | C7 | H72 | 178.9° | 180.0° |
| C6 | C5 | C10 | C9 | 59.4° | 60.0° |
| C6 | C5 | C10 | H101 | 65.8° | 60.0° |
| C6 | C5 | C10 | H102 | 175.4° | 180.0° |
| C10 | C5 | C6 | C7 | 61.1° | 60.0° |
| C10 | C5 | C6 | H61 | 173.6° | 180.0° |
| C10 | C5 | C6 | H62 | 64.1° | 60.0° |
| C5 | C10 | C9 | C8 | 52.3° | 60.0° |
| C5 | C10 | C9 | H101 | 125.3° | 120.0° |
| C5 | C10 | C9 | H102 | 125.2° | 119.9° |
| C5 | C10 | C9 | H91 | 72.9° | 60.1° |
| C5 | C10 | C9 | H92 | 177.6° | 180.0° |
| C5 | C10 | H101 | H102 | 117.1° | 119.9° |
| H5 | C5 | C6 | C7 | 57.5° | 60.1° |
| H5 | C5 | C6 | H61 | 67.8° | 60.0° |
| H5 | C5 | C6 | H62 | 177.3° | 180.0° |
| H5 | C5 | C10 | C9 | 58.6° | 60.0° |
| H5 | C5 | C10 | H101 | 176.2° | 179.9° |
| H5 | C5 | C10 | H102 | 66.7° | 60.0° |
| C7 | C6 | H61 | H62 | 117.4° | 119.9° |
| C6 | C7 | C8 | H71 | 125.2° | 119.9° |
| C6 | C7 | C8 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 117.6° | 120.0° |
| C6 | C7 | C8 | C9 | 48.9° | 60.0° |
| C6 | C7 | C8 | H81 | 174.2° | 180.0° |
| C6 | C7 | C8 | H82 | 76.4° | 60.1° |
| H61 | C6 | C7 | C8 | 179.0° | 180.0° |
| H61 | C6 | C7 | H71 | 55.7° | 60.0° |
| H61 | C6 | C7 | H72 | 53.7° | 60.0° |
| H62 | C6 | C7 | C8 | 69.5° | 60.1° |
| H62 | C6 | C7 | H71 | 165.2° | 179.9° |
| H62 | C6 | C7 | H72 | 55.8° | 60.0° |
| C8 | C7 | H71 | H72 | 117.7° | 120.0° |
| C7 | C8 | C9 | H81 | 125.2° | 120.0° |
| C7 | C8 | C9 | H82 | 125.2° | 120.1° |
| C7 | C8 | H81 | H82 | 116.3° | 120.1° |
| C7 | C8 | C9 | C10 | 47.3° | 60.0° |
| C7 | C8 | C9 | H91 | 78.0° | 60.0° |
| C7 | C8 | C9 | H92 | 172.5° | 180.0° |
| H71 | C7 | C8 | C9 | 76.3° | 60.0° |
| H71 | C7 | C8 | H81 | 48.9° | 60.0° |
| H71 | C7 | C8 | H82 | 158.4° | 180.0° |
| H72 | C7 | C8 | C9 | 174.2° | 180.0° |
| H72 | C7 | C8 | H81 | 60.6° | 60.0° |
| H72 | C7 | C8 | H82 | 48.9° | 60.0° |
| C9 | C8 | H81 | H82 | 116.4° | 119.9° |
| C8 | C9 | C10 | H91 | 125.2° | 120.1° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 117.3° | 120.0° |
| C8 | C9 | C10 | H101 | 72.9° | 60.0° |
| C8 | C9 | C10 | H102 | 177.5° | 179.9° |
| H81 | C8 | C9 | C10 | 172.5° | 180.0° |
| H81 | C8 | C9 | H91 | 47.2° | 60.0° |
| H81 | C8 | C9 | H92 | 62.3° | 60.0° |
| H82 | C8 | C9 | C10 | 78.0° | 60.1° |
| H82 | C8 | C9 | H91 | 156.8° | 179.9° |
| H82 | C8 | C9 | H92 | 47.3° | 59.9° |
| C10 | C9 | H91 | H92 | 117.4° | 119.9° |
| C9 | C10 | H101 | H102 | 117.1° | 120.0° |
| H91 | C9 | C10 | H101 | 161.8° | 179.9° |
| H91 | C9 | C10 | H102 | 52.3° | 59.9° |
| H92 | C9 | C10 | H101 | 52.4° | 60.0° |
| H92 | C9 | C10 | H102 | 57.2° | 60.1° |
| C12 | C11 | O2 | H11 | 119.1° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 119.9° |
| C11 | C12 | H121 | H122 | 117.2° | 119.9° |
| C11 | C12 | C13 | C14 | 170.7° | 66.2° |
| C11 | C12 | C13 | C17 | 45.8° | 173.8° |
| C11 | C12 | C13 | H13 | 72.1° | 53.8° |
| C12 | C11 | O2 | HO2 | 57.1° | 55.9° |
| O2 | C11 | C12 | C13 | 98.9° | 66.7° |
| O2 | C11 | C12 | H121 | 26.3° | 173.3° |
| O2 | C11 | C12 | H122 | 135.8° | 53.3° |
| H11 | C11 | C12 | C13 | 20.8° | 53.3° |
| H11 | C11 | C12 | H121 | 146.0° | 66.7° |
| H11 | C11 | C12 | H122 | 104.4° | 173.2° |
| H11 | C11 | O2 | HO2 | 62.0° | 175.9° |
| C13 | C12 | H121 | H122 | 117.1° | 120.1° |
| C12 | C13 | C14 | C17 | 122.5° | 119.9° |
| C12 | C13 | C14 | H13 | 119.9° | 120.0° |
| C12 | C13 | C17 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 73.4° | 63.3° |
| C12 | C13 | C14 | C16 | 160.6° | 176.7° |
| C12 | C13 | C14 | H14 | 43.2° | 56.7° |
| C12 | C13 | C17 | N2 | 129.4° | 151.2° |
| C12 | C13 | C17 | O3 | 48.4° | 28.8° |
| H121 | C12 | C13 | C14 | 64.1° | 173.8° |
| H121 | C12 | C13 | C17 | 171.0° | 53.9° |
| H121 | C12 | C13 | H13 | 53.2° | 66.2° |
| H122 | C12 | C13 | C14 | 45.4° | 53.7° |
| H122 | C12 | C13 | C17 | 79.5° | 66.2° |
| H122 | C12 | C13 | H13 | 162.7° | 173.7° |
| C14 | C13 | C17 | H13 | 117.0° | 120.0° |
| C13 | C14 | C15 | C16 | 126.1° | 120.0° |
| C13 | C14 | C15 | H14 | 116.5° | 120.1° |
| C13 | C14 | C16 | H14 | 116.6° | 120.0° |
| C13 | C14 | C15 | H151 | 180.0° | 175.2° |
| C13 | C14 | C15 | H152 | 54.7° | 64.8° |
| C13 | C14 | C15 | H153 | 54.8° | 55.2° |
| C13 | C14 | C16 | H161 | 180.0° | 63.9° |
| C13 | C14 | C16 | H162 | 54.7° | 56.0° |
| C13 | C14 | C16 | H163 | 54.7° | 176.0° |
| C14 | C13 | C17 | N2 | 107.6° | 88.8° |
| C14 | C13 | C17 | O3 | 74.6° | 91.1° |
| C17 | C13 | C14 | C15 | 49.1° | 56.6° |
| C17 | C13 | C14 | C16 | 76.9° | 63.4° |
| C17 | C13 | C14 | H14 | 165.7° | 176.7° |
| C13 | C17 | N2 | O3 | 177.8° | 180.0° |
| C13 | C17 | N2 | C18 | 154.5° | 177.7° |
| C13 | C17 | N2 | HN2 | 25.5° | 2.3° |
| H13 | C13 | C14 | C15 | 166.7° | 176.7° |
| H13 | C13 | C14 | C16 | 40.7° | 56.7° |
| H13 | C13 | C14 | H14 | 76.7° | 63.3° |
| H13 | C13 | C17 | N2 | 9.4° | 31.2° |
| H13 | C13 | C17 | O3 | 168.4° | 148.8° |
| C15 | C14 | C16 | H14 | 116.7° | 120.0° |
| C14 | C15 | H151 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H153 | 125.2° | 120.0° |
| C14 | C15 | H152 | H153 | 117.0° | 120.0° |
| C15 | C14 | C16 | H161 | 53.3° | 56.1° |
| C15 | C14 | C16 | H162 | 71.9° | 176.1° |
| C15 | C14 | C16 | H163 | 178.7° | 64.0° |
| C16 | C14 | C15 | H151 | 53.9° | 55.2° |
| C16 | C14 | C15 | H152 | 179.2° | 175.2° |
| C16 | C14 | C15 | H153 | 71.3° | 64.8° |
| C14 | C16 | H161 | H162 | 125.3° | 120.0° |
| C14 | C16 | H161 | H163 | 125.3° | 120.0° |
| C14 | C16 | H162 | H163 | 117.4° | 120.0° |
| H14 | C14 | C15 | H151 | 63.5° | 64.7° |
| H14 | C14 | C15 | H152 | 61.8° | 55.3° |
| H14 | C14 | C15 | H153 | 171.3° | 175.2° |
| H14 | C14 | C16 | H161 | 63.4° | 176.0° |
| H14 | C14 | C16 | H162 | 171.4° | 64.0° |
| H14 | C14 | C16 | H163 | 61.9° | 55.9° |
| H151 | C15 | H152 | H153 | 116.9° | 120.0° |
| H161 | C16 | H162 | H163 | 117.4° | 120.1° |
| C17 | N2 | C18 | C19 | 95.1° | 90.0° |
| C17 | N2 | C18 | C22 | 137.9° | 150.0° |
| C17 | N2 | C18 | HN2 | 180.0° | 180.0° |
| C17 | N2 | C18 | H18 | 21.4° | 30.0° |
| O3 | C17 | N2 | C18 | 27.8° | 2.3° |
| O3 | C17 | N2 | HN2 | 152.3° | 177.7° |
| C19 | C18 | C22 | N2 | 126.0° | 120.0° |
| C19 | C18 | C22 | H18 | 116.3° | 120.1° |
| C19 | C18 | N2 | H18 | 116.5° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.1° |
| C18 | C19 | C20 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H192 | 115.4° | 120.0° |
| C18 | C19 | C20 | C21 | 81.6° | 180.0° |
| C18 | C19 | C20 | H201 | 153.2° | 60.0° |
| C18 | C19 | C20 | H202 | 43.7° | 60.0° |
| C19 | C18 | C22 | N4 | 83.4° | 60.0° |
| C19 | C18 | C22 | O5 | 99.5° | 119.9° |
| C19 | C18 | N2 | HN2 | 85.0° | 90.0° |
| C22 | C18 | N2 | H18 | 116.5° | 119.9° |
| C22 | C18 | C19 | C20 | 27.7° | 180.0° |
| C22 | C18 | C19 | H191 | 97.6° | 60.0° |
| C22 | C18 | C19 | H192 | 152.9° | 60.0° |
| C18 | C22 | N4 | O5 | 177.0° | 179.9° |
| C18 | C22 | N4 | C23 | 174.6° | 180.0° |
| C22 | C18 | N2 | HN2 | 42.0° | 30.0° |
| C18 | C22 | N4 | HN4 | 5.4° | 0.0° |
| N2 | C18 | C19 | C20 | 98.3° | 60.0° |
| N2 | C18 | C19 | H191 | 136.4° | 60.0° |
| N2 | C18 | C19 | H192 | 26.9° | 180.0° |
| N2 | C18 | C22 | N4 | 150.6° | 180.0° |
| N2 | C18 | C22 | O5 | 26.5° | 0.1° |
| H18 | C18 | C19 | C20 | 143.9° | 60.0° |
| H18 | C18 | C19 | H191 | 18.7° | 180.0° |
| H18 | C18 | C19 | H192 | 90.8° | 60.0° |
| H18 | C18 | C22 | N4 | 32.9° | 60.1° |
| H18 | C18 | C22 | O5 | 144.2° | 120.0° |
| H18 | C18 | N2 | HN2 | 158.5° | 150.0° |
| C20 | C19 | H191 | H192 | 115.2° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H202 | 117.0° | 120.0° |
| C19 | C20 | C21 | N3 | 52.7° | 180.0° |
| C19 | C20 | C21 | O4 | 125.4° | 0.1° |
| H191 | C19 | C20 | C21 | 43.7° | 60.0° |
| H191 | C19 | C20 | H201 | 81.5° | 180.0° |
| H191 | C19 | C20 | H202 | 169.0° | 60.0° |
| H192 | C19 | C20 | C21 | 153.1° | 60.0° |
| H192 | C19 | C20 | H201 | 27.9° | 60.0° |
| H192 | C19 | C20 | H202 | 81.6° | 180.0° |
| C21 | C20 | H201 | H202 | 116.9° | 120.0° |
| C20 | C21 | N3 | O4 | 178.1° | 179.9° |
| C20 | C21 | N3 | HN31 | 1.9° | 180.0° |
| C20 | C21 | N3 | HN32 | 180.0° | 0.1° |
| H201 | C20 | C21 | N3 | 72.6° | 59.9° |
| H201 | C20 | C21 | O4 | 109.3° | 119.9° |
| H202 | C20 | C21 | N3 | 177.9° | 60.1° |
| H202 | C20 | C21 | O4 | 0.2° | 120.0° |
| C21 | N3 | HN31 | HN32 | 178.0° | 179.9° |
| O4 | C21 | N3 | HN31 | 180.0° | 0.1° |
| O4 | C21 | N3 | HN32 | 1.9° | 180.0° |
| C22 | N4 | C23 | C24 | 146.8° | 90.0° |
| C22 | N4 | C23 | C25 | 94.3° | 150.0° |
| C22 | N4 | C23 | HN4 | 180.0° | 180.0° |
| C22 | N4 | C23 | H23 | 24.8° | 30.0° |
| O5 | C22 | N4 | C23 | 2.4° | 0.1° |
| O5 | C22 | N4 | HN4 | 177.5° | 179.9° |
| C24 | C23 | C25 | N4 | 115.6° | 120.0° |
| C24 | C23 | C25 | H23 | 122.2° | 120.0° |
| C24 | C23 | N4 | H23 | 122.0° | 120.0° |
| C23 | C24 | N5 | O6 | 178.3° | 180.0° |
| C24 | C23 | C25 | C26 | 161.7° | 180.0° |
| C24 | C23 | C25 | H251 | 73.0° | 60.0° |
| C24 | C23 | C25 | H252 | 36.4° | 60.0° |
| C24 | C23 | N4 | HN4 | 33.2° | 90.0° |
| C23 | C24 | N5 | HN51 | 1.7° | 180.0° |
| C23 | C24 | N5 | HN52 | 180.0° | 0.0° |
| C25 | C23 | N4 | H23 | 119.1° | 120.0° |
| C25 | C23 | C24 | N5 | 96.4° | 90.0° |
| C25 | C23 | C24 | O6 | 85.3° | 90.0° |
| C23 | C25 | C26 | H251 | 125.3° | 120.0° |
| C23 | C25 | C26 | H252 | 125.2° | 120.1° |
| C23 | C25 | H251 | H252 | 116.4° | 120.1° |
| C23 | C25 | C26 | C27 | 139.3° | 180.0° |
| C23 | C25 | C26 | H261 | 95.4° | 60.0° |
| C23 | C25 | C26 | H262 | 14.0° | 60.0° |
| C25 | C23 | N4 | HN4 | 85.7° | 30.0° |
| N4 | C23 | C24 | N5 | 144.5° | 30.0° |
| N4 | C23 | C24 | O6 | 33.8° | 150.0° |
| N4 | C23 | C25 | C26 | 82.7° | 60.0° |
| N4 | C23 | C25 | H251 | 42.6° | 60.0° |
| N4 | C23 | C25 | H252 | 152.1° | 180.0° |
| H23 | C23 | C24 | N5 | 22.6° | 150.0° |
| H23 | C23 | C24 | O6 | 155.7° | 30.0° |
| H23 | C23 | C25 | C26 | 39.5° | 60.0° |
| H23 | C23 | C25 | H251 | 164.8° | 180.0° |
| H23 | C23 | C25 | H252 | 85.8° | 60.0° |
| H23 | C23 | N4 | HN4 | 155.2° | 150.0° |
| C24 | N5 | HN51 | HN52 | 178.2° | 180.0° |
| O6 | C24 | N5 | HN51 | 180.0° | 0.0° |
| O6 | C24 | N5 | HN52 | 1.7° | 180.0° |
| C26 | C25 | H251 | H252 | 116.4° | 120.0° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.2° | 120.1° |
| C25 | C26 | H261 | H262 | 117.5° | 120.1° |
| C25 | C26 | C27 | N6 | 133.0° | 180.0° |
| C25 | C26 | C27 | H271 | 101.7° | 60.0° |
| C25 | C26 | C27 | H272 | 7.8° | 60.0° |
| H251 | C25 | C26 | C27 | 14.0° | 60.0° |
| H251 | C25 | C26 | H261 | 139.3° | 180.0° |
| H251 | C25 | C26 | H262 | 111.3° | 60.0° |
| H252 | C25 | C26 | C27 | 95.5° | 59.9° |
| H252 | C25 | C26 | H261 | 29.8° | 60.0° |
| H252 | C25 | C26 | H262 | 139.3° | 180.0° |
| C27 | C26 | H261 | H262 | 117.6° | 120.0° |
| C26 | C27 | N6 | H271 | 125.3° | 120.0° |
| C26 | C27 | N6 | H272 | 125.2° | 120.1° |
| C26 | C27 | H271 | H272 | 117.2° | 120.1° |
| C26 | C27 | N6 | C28 | 106.7° | 180.0° |
| C26 | C27 | N6 | HN6 | 128.0° | 0.1° |
| H261 | C26 | C27 | N6 | 7.8° | 60.0° |
| H261 | C26 | C27 | H271 | 133.1° | 180.0° |
| H261 | C26 | C27 | H272 | 117.5° | 60.0° |
| H262 | C26 | C27 | N6 | 101.7° | 59.9° |
| H262 | C26 | C27 | H271 | 23.6° | 60.0° |
| H262 | C26 | C27 | H272 | 133.0° | 180.0° |
| N6 | C27 | H271 | H272 | 117.3° | 120.0° |
| C27 | N6 | C28 | HN6 | 125.3° | 179.9° |
| C27 | N6 | C28 | N7 | 17.1° | 0.1° |
| C27 | N6 | C28 | N8 | 163.3° | 180.0° |
| H271 | C27 | N6 | C28 | 128.0° | 60.1° |
| H271 | C27 | N6 | HN6 | 2.7° | 120.1° |
| H272 | C27 | N6 | C28 | 18.5° | 59.9° |
| H272 | C27 | N6 | HN6 | 106.8° | 119.9° |
| N6 | C28 | N7 | N8 | 179.7° | 179.9° |
| N6 | C28 | N7 | HN7 | 92.7° | 179.9° |
| N6 | C28 | N8 | HN81 | 179.9° | 179.9° |
| N6 | C28 | N8 | HN82 | 54.7° | 0.1° |
| N7 | C28 | N6 | HN6 | 108.2° | 179.9° |
| N7 | C28 | N8 | HN81 | 0.4° | 0.0° |
| N7 | C28 | N8 | HN82 | 125.0° | 180.0° |
| N8 | C28 | N6 | HN6 | 71.5° | 0.1° |
| N8 | C28 | N7 | HN7 | 87.0° | 0.0° |
| C28 | N8 | HN81 | HN82 | 125.3° | 180.0° |
