ENB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| C1 | C15 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C26 | doub | 1.33Å | 1.55Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C3 | sing | 1.35Å | 1.55Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C3 | C4 | sing | 1.51Å | 1.33Å | |
| C3 | O1 | doub | 1.21Å | 1.28Å | |
| C4 | N2 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| N2 | C11 | sing | 1.35Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | O2 | doub | 1.21Å | 1.21Å | |
| C12 | N3 | sing | 1.46Å | 1.47Å | |
| C12 | C20 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| N3 | C13 | sing | 1.35Å | 1.37Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C13 | O3 | sing | 1.35Å | 1.36Å | |
| C13 | O4 | doub | 1.22Å | 1.21Å | |
| O3 | C14 | sing | 1.45Å | 1.42Å | |
| C14 | C23 | sing | 1.53Å | 1.53Å | |
| C14 | C24 | sing | 1.53Å | 1.54Å | |
| C14 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | N4 | sing | 1.47Å | 1.46Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| N4 | C19 | sing | 1.35Å | 1.35Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C19 | O5 | doub | 1.21Å | 1.20Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| 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 | 1.11Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.47Å | 1.52Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | O6 | sing | 1.35Å | 1.36Å | |
| C27 | O7 | doub | 1.22Å | 1.21Å | |
| O6 | C28 | sing | 1.45Å | 1.42Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N1 | 81.2° | 109.5° |
| C2 | C1 | C15 | 114.7° | 109.5° |
| C2 | C1 | H1 | 169.5° | 109.5° |
| C1 | C2 | C26 | 114.4° | 120.0° |
| C1 | C2 | H2 | 123.1° | 120.0° |
| N1 | C1 | C15 | 162.9° | 109.5° |
| N1 | C1 | H1 | 105.3° | 109.5° |
| C1 | N1 | C3 | 104.0° | 120.0° |
| C1 | N1 | HN1 | 125.5° | 120.0° |
| C15 | C1 | H1 | 60.0° | 109.5° |
| C1 | C15 | C16 | 117.6° | 109.5° |
| C1 | C15 | H151 | 109.3° | 109.4° |
| C1 | C15 | H152 | 109.2° | 109.5° |
| C26 | C2 | H2 | 122.6° | 120.0° |
| C2 | C26 | C27 | 114.7° | 120.0° |
| C2 | C26 | H26 | 123.3° | 120.0° |
| C3 | N1 | HN1 | 130.6° | 120.0° |
| N1 | C3 | C4 | 119.9° | 120.0° |
| N1 | C3 | O1 | 128.8° | 120.0° |
| C4 | C3 | O1 | 110.4° | 120.0° |
| C3 | C4 | N2 | 115.5° | 109.5° |
| C3 | C4 | C5 | 113.8° | 109.5° |
| C3 | C4 | H4 | 102.9° | 109.5° |
| N2 | C4 | C5 | 112.9° | 109.4° |
| N2 | C4 | H4 | 104.1° | 109.4° |
| C4 | N2 | C11 | 121.6° | 120.0° |
| C4 | N2 | HN2 | 122.7° | 120.0° |
| C5 | C4 | H4 | 106.1° | 109.4° |
| C4 | C5 | C6 | 121.3° | 120.0° |
| C4 | C5 | C10 | 120.0° | 120.0° |
| C11 | N2 | HN2 | 115.7° | 120.0° |
| N2 | C11 | C12 | 115.2° | 120.0° |
| N2 | C11 | O2 | 123.8° | 120.0° |
| C6 | C5 | C10 | 118.6° | 120.1° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | H6 | 119.7° | 120.1° |
| C5 | C10 | C9 | 120.9° | 119.9° |
| C5 | C10 | H10 | 119.7° | 120.0° |
| C7 | C6 | H6 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.2° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C9 | C8 | H8 | 120.2° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 119.9° |
| C9 | C10 | H10 | 119.4° | 120.0° |
| C12 | C11 | O2 | 121.1° | 120.0° |
| C11 | C12 | N3 | 106.0° | 109.4° |
| C11 | C12 | C20 | 110.9° | 109.5° |
| C11 | C12 | H12 | 111.4° | 109.5° |
| N3 | C12 | C20 | 111.2° | 109.5° |
| N3 | C12 | H12 | 111.2° | 109.5° |
| C12 | N3 | C13 | 122.9° | 120.0° |
| C12 | N3 | HN3 | 122.3° | 120.1° |
| C20 | C12 | H12 | 106.2° | 109.5° |
| C12 | C20 | C21 | 111.7° | 109.5° |
| C12 | C20 | C22 | 112.6° | 109.5° |
| C12 | C20 | H20 | 105.6° | 109.5° |
| C13 | N3 | HN3 | 114.9° | 119.9° |
| N3 | C13 | O3 | 116.0° | 120.0° |
| N3 | C13 | O4 | 120.9° | 120.0° |
| O3 | C13 | O4 | 122.8° | 120.0° |
| C13 | O3 | C14 | 120.9° | 120.0° |
| O3 | C14 | C23 | 111.1° | 109.4° |
| O3 | C14 | C24 | 105.8° | 109.5° |
| O3 | C14 | C25 | 111.1° | 109.5° |
| C23 | C14 | C24 | 108.7° | 109.5° |
| C23 | C14 | C25 | 111.3° | 109.5° |
| C14 | C23 | H231 | 111.1° | 109.5° |
| C14 | C23 | H232 | 111.6° | 109.4° |
| C14 | C23 | H233 | 111.6° | 109.5° |
| C24 | C14 | C25 | 108.7° | 109.5° |
| C14 | C24 | H241 | 105.8° | 109.5° |
| C14 | C24 | H242 | 113.6° | 109.5° |
| C14 | C24 | H243 | 113.5° | 109.5° |
| C14 | C25 | H251 | 111.1° | 109.4° |
| C14 | C25 | H252 | 111.6° | 109.4° |
| C14 | C25 | H253 | 111.6° | 109.5° |
| C16 | C15 | H151 | 109.3° | 109.5° |
| C16 | C15 | H152 | 109.3° | 109.5° |
| C15 | C16 | C17 | 113.6° | 110.5° |
| C15 | C16 | C19 | 111.4° | 110.5° |
| C15 | C16 | H16 | 103.0° | 110.4° |
| H151 | C15 | H152 | 100.9° | 109.5° |
| C17 | C16 | C19 | 100.9° | 104.3° |
| C17 | C16 | H16 | 113.1° | 110.5° |
| C16 | C17 | C18 | 106.8° | 101.8° |
| C16 | C17 | H171 | 113.2° | 111.0° |
| C16 | C17 | H172 | 113.2° | 111.0° |
| C19 | C16 | H16 | 115.3° | 110.5° |
| C16 | C19 | N4 | 110.4° | 110.0° |
| C16 | C19 | O5 | 127.0° | 125.1° |
| C18 | C17 | H171 | 113.2° | 110.9° |
| C18 | C17 | H172 | 113.2° | 111.0° |
| C17 | C18 | N4 | 101.7° | 105.5° |
| C17 | C18 | H181 | 115.2° | 110.3° |
| C17 | C18 | H182 | 115.2° | 110.2° |
| H171 | C17 | H172 | 97.2° | 110.9° |
| N4 | C18 | H181 | 115.2° | 110.2° |
| N4 | C18 | H182 | 115.3° | 110.3° |
| C18 | N4 | C19 | 114.2° | 111.3° |
| C18 | N4 | HN4 | 126.1° | 124.4° |
| H181 | C18 | H182 | 95.2° | 110.3° |
| C19 | N4 | HN4 | 119.7° | 124.3° |
| N4 | C19 | O5 | 122.5° | 125.0° |
| C21 | C20 | C22 | 109.1° | 109.5° |
| C21 | C20 | H20 | 109.3° | 109.4° |
| C20 | C21 | H211 | 111.7° | 109.5° |
| C20 | C21 | H212 | 111.3° | 109.5° |
| C20 | C21 | H213 | 111.4° | 109.4° |
| C22 | C20 | H20 | 108.3° | 109.4° |
| C20 | C22 | H221 | 112.6° | 109.5° |
| C20 | C22 | H222 | 111.1° | 109.5° |
| C20 | C22 | H223 | 111.1° | 109.5° |
| H211 | C21 | H212 | 111.3° | 109.5° |
| H211 | C21 | H213 | 111.4° | 109.4° |
| H212 | C21 | H213 | 99.0° | 109.5° |
| H221 | C22 | H222 | 111.0° | 109.5° |
| H221 | C22 | H223 | 111.0° | 109.4° |
| H222 | C22 | H223 | 99.3° | 109.4° |
| H231 | C23 | H232 | 111.6° | 109.5° |
| H231 | C23 | H233 | 111.7° | 109.6° |
| H232 | C23 | H233 | 98.7° | 109.4° |
| H241 | C24 | H242 | 113.6° | 109.5° |
| H241 | C24 | H243 | 113.6° | 109.5° |
| H242 | C24 | H243 | 96.9° | 109.5° |
| H251 | C25 | H252 | 111.6° | 109.5° |
| H251 | C25 | H253 | 111.6° | 109.5° |
| H252 | C25 | H253 | 98.7° | 109.6° |
| C27 | C26 | H26 | 121.9° | 120.0° |
| C26 | C27 | O6 | 110.7° | 120.0° |
| C26 | C27 | O7 | 124.8° | 120.0° |
| O6 | C27 | O7 | 124.4° | 120.0° |
| C27 | O6 | C28 | 116.1° | 120.0° |
| O6 | C28 | C29 | 108.9° | 109.4° |
| O6 | C28 | H281 | 112.4° | 109.5° |
| O6 | C28 | H282 | 112.4° | 109.4° |
| C29 | C28 | H281 | 112.4° | 109.5° |
| C29 | C28 | H282 | 112.4° | 109.5° |
| C28 | C29 | H291 | 108.9° | 109.4° |
| C28 | C29 | H292 | 112.4° | 109.5° |
| C28 | C29 | H293 | 112.4° | 109.5° |
| H281 | C28 | H282 | 98.0° | 109.5° |
| H291 | C29 | H292 | 112.5° | 109.4° |
| H291 | C29 | H293 | 112.3° | 109.5° |
| H292 | C29 | H293 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N1 | C15 | 159.0° | 120.0° |
| C2 | C1 | N1 | H1 | 171.5° | 120.0° |
| C2 | C1 | C15 | H1 | 169.7° | 120.0° |
| C1 | C2 | C26 | H2 | 180.0° | 180.0° |
| C2 | C1 | N1 | C3 | 150.0° | 153.2° |
| C2 | C1 | N1 | HN1 | 29.9° | 26.7° |
| C2 | C1 | C15 | C16 | 163.5° | 65.5° |
| C2 | C1 | C15 | H151 | 71.2° | 174.6° |
| C2 | C1 | C15 | H152 | 38.3° | 54.6° |
| C1 | C2 | C26 | C27 | 143.1° | 180.0° |
| C1 | C2 | C26 | H26 | 36.9° | 0.0° |
| N1 | C1 | C15 | H1 | 33.2° | 120.0° |
| N1 | C1 | C2 | C26 | 38.9° | 120.0° |
| N1 | C1 | C2 | H2 | 141.1° | 60.0° |
| C1 | N1 | C3 | HN1 | 179.9° | 179.9° |
| C1 | N1 | C3 | C4 | 117.1° | 175.7° |
| C1 | N1 | C3 | O1 | 51.2° | 4.3° |
| N1 | C1 | C15 | C16 | 39.4° | 174.5° |
| N1 | C1 | C15 | H151 | 85.8° | 54.5° |
| N1 | C1 | C15 | H152 | 164.6° | 65.5° |
| C15 | C1 | C2 | C26 | 147.8° | 120.0° |
| C15 | C1 | C2 | H2 | 32.2° | 60.0° |
| C15 | C1 | N1 | C3 | 51.0° | 86.8° |
| C15 | C1 | N1 | HN1 | 129.1° | 93.3° |
| C1 | C15 | C16 | H151 | 125.3° | 120.0° |
| C1 | C15 | C16 | H152 | 125.2° | 120.0° |
| C1 | C15 | H151 | H152 | 115.0° | 120.0° |
| C1 | C15 | C16 | C17 | 96.7° | 173.4° |
| C1 | C15 | C16 | C19 | 150.2° | 71.7° |
| C1 | C15 | C16 | H16 | 26.0° | 50.9° |
| H1 | C1 | C2 | C26 | 90.2° | 0.0° |
| H1 | C1 | C2 | H2 | 89.8° | 180.0° |
| H1 | C1 | N1 | C3 | 21.5° | 33.2° |
| H1 | C1 | N1 | HN1 | 158.5° | 146.7° |
| H1 | C1 | C15 | C16 | 6.2° | 54.5° |
| H1 | C1 | C15 | H151 | 119.0° | 65.5° |
| H1 | C1 | C15 | H152 | 131.5° | 174.5° |
| C2 | C26 | C27 | H26 | 180.0° | 180.0° |
| C2 | C26 | C27 | O6 | 144.4° | 180.0° |
| C2 | C26 | C27 | O7 | 33.5° | 0.1° |
| H2 | C2 | C26 | C27 | 36.9° | 0.0° |
| H2 | C2 | C26 | H26 | 143.1° | 180.0° |
| N1 | C3 | C4 | O1 | 170.3° | 180.0° |
| N1 | C3 | C4 | N2 | 150.5° | 180.0° |
| N1 | C3 | C4 | C5 | 76.5° | 60.0° |
| N1 | C3 | C4 | H4 | 37.8° | 60.0° |
| HN1 | N1 | C3 | C4 | 63.0° | 4.2° |
| HN1 | N1 | C3 | O1 | 128.8° | 175.8° |
| C3 | C4 | N2 | C5 | 133.4° | 120.0° |
| C3 | C4 | N2 | H4 | 112.0° | 120.1° |
| C3 | C4 | C5 | H4 | 112.4° | 120.1° |
| C3 | C4 | N2 | C11 | 142.3° | 155.0° |
| C3 | C4 | N2 | HN2 | 37.7° | 25.0° |
| C3 | C4 | C5 | C6 | 102.2° | 80.2° |
| C3 | C4 | C5 | C10 | 75.4° | 100.0° |
| O1 | C3 | C4 | N2 | 19.8° | 0.0° |
| O1 | C3 | C4 | C5 | 113.2° | 120.0° |
| O1 | C3 | C4 | H4 | 132.4° | 120.0° |
| N2 | C4 | C5 | H4 | 113.4° | 119.9° |
| C4 | N2 | C11 | HN2 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 32.0° | 39.8° |
| N2 | C4 | C5 | C10 | 150.4° | 140.0° |
| C4 | N2 | C11 | C12 | 170.6° | 180.0° |
| C4 | N2 | C11 | O2 | 11.0° | 0.1° |
| C5 | C4 | N2 | C11 | 84.3° | 85.0° |
| C5 | C4 | N2 | HN2 | 95.7° | 95.0° |
| C4 | C5 | C6 | C10 | 177.6° | 179.8° |
| C4 | C5 | C6 | C7 | 178.5° | 179.7° |
| C4 | C5 | C6 | H6 | 1.5° | 0.2° |
| C4 | C5 | C10 | C9 | 178.2° | 180.0° |
| C4 | C5 | C10 | H10 | 1.8° | 0.0° |
| H4 | C4 | N2 | C11 | 30.4° | 35.0° |
| H4 | C4 | N2 | HN2 | 149.7° | 145.1° |
| H4 | C4 | C5 | C6 | 145.4° | 159.7° |
| H4 | C4 | C5 | C10 | 37.0° | 20.1° |
| N2 | C11 | C12 | O2 | 178.5° | 179.9° |
| N2 | C11 | C12 | N3 | 164.3° | 180.0° |
| N2 | C11 | C12 | C20 | 74.9° | 60.0° |
| N2 | C11 | C12 | H12 | 43.2° | 60.1° |
| HN2 | N2 | C11 | C12 | 9.4° | 0.0° |
| HN2 | N2 | C11 | O2 | 169.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.5° |
| C5 | C6 | C7 | C8 | 0.5° | 0.5° |
| C5 | C6 | C7 | H7 | 179.5° | 179.7° |
| C6 | C5 | C10 | C9 | 0.5° | 0.3° |
| C6 | C5 | C10 | H10 | 179.4° | 179.8° |
| C10 | C5 | C6 | C7 | 0.9° | 0.5° |
| C10 | C5 | C6 | H6 | 179.1° | 180.0° |
| C5 | C10 | C9 | C8 | 0.1° | 0.0° |
| C5 | C10 | C9 | H10 | 180.0° | 180.0° |
| C5 | C10 | C9 | H9 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 0.1° | 0.2° |
| C6 | C7 | C8 | H8 | 179.9° | 179.8° |
| H6 | C6 | C7 | C8 | 179.4° | 180.0° |
| H6 | C6 | C7 | H7 | 0.5° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| H8 | C8 | C9 | C10 | 179.6° | 180.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.1° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| C11 | C12 | N3 | C20 | 120.6° | 120.0° |
| C11 | C12 | N3 | H12 | 121.2° | 120.0° |
| C11 | C12 | C20 | H12 | 121.2° | 120.0° |
| C11 | C12 | N3 | C13 | 142.3° | 155.0° |
| C11 | C12 | N3 | HN3 | 37.7° | 25.0° |
| C11 | C12 | C20 | C21 | 177.7° | 180.0° |
| C11 | C12 | C20 | C22 | 59.0° | 60.0° |
| C11 | C12 | C20 | H20 | 59.0° | 60.0° |
| O2 | C11 | C12 | N3 | 17.2° | 0.1° |
| O2 | C11 | C12 | C20 | 103.6° | 119.9° |
| O2 | C11 | C12 | H12 | 138.3° | 120.0° |
| N3 | C12 | C20 | H12 | 121.1° | 120.0° |
| C12 | N3 | C13 | HN3 | 180.0° | 180.0° |
| C12 | N3 | C13 | O3 | 175.8° | 180.0° |
| C12 | N3 | C13 | O4 | 1.6° | 0.0° |
| N3 | C12 | C20 | C21 | 60.0° | 60.0° |
| N3 | C12 | C20 | C22 | 176.7° | 60.0° |
| N3 | C12 | C20 | H20 | 58.7° | 180.0° |
| C20 | C12 | N3 | C13 | 97.1° | 85.0° |
| C20 | C12 | N3 | HN3 | 82.9° | 95.0° |
| C12 | C20 | C21 | C22 | 125.2° | 120.1° |
| C12 | C20 | C21 | H20 | 116.5° | 120.0° |
| C12 | C20 | C22 | H20 | 116.4° | 120.0° |
| C12 | C20 | C21 | H211 | 180.0° | 180.0° |
| C12 | C20 | C21 | H212 | 54.8° | 59.9° |
| C12 | C20 | C21 | H213 | 54.7° | 60.0° |
| C12 | C20 | C22 | H221 | 180.0° | 60.0° |
| C12 | C20 | C22 | H222 | 54.7° | 180.0° |
| C12 | C20 | C22 | H223 | 54.8° | 60.0° |
| H12 | C12 | N3 | C13 | 21.1° | 35.0° |
| H12 | C12 | N3 | HN3 | 159.0° | 145.0° |
| H12 | C12 | C20 | C21 | 61.1° | 60.0° |
| H12 | C12 | C20 | C22 | 62.2° | 180.0° |
| H12 | C12 | C20 | H20 | 179.8° | 60.0° |
| N3 | C13 | O3 | O4 | 174.1° | 180.0° |
| N3 | C13 | O3 | C14 | 154.8° | 180.0° |
| HN3 | N3 | C13 | O3 | 4.2° | 0.0° |
| HN3 | N3 | C13 | O4 | 178.4° | 180.0° |
| C13 | O3 | C14 | C23 | 70.8° | 60.0° |
| C13 | O3 | C14 | C24 | 171.5° | 180.0° |
| C13 | O3 | C14 | C25 | 53.6° | 60.0° |
| O4 | C13 | O3 | C14 | 19.3° | 0.0° |
| O3 | C14 | C23 | C24 | 116.0° | 120.0° |
| O3 | C14 | C23 | C25 | 124.3° | 120.0° |
| O3 | C14 | C24 | C25 | 119.4° | 120.0° |
| O3 | C14 | C23 | H231 | 180.0° | 60.0° |
| O3 | C14 | C23 | H232 | 54.7° | 180.0° |
| O3 | C14 | C23 | H233 | 54.7° | 60.1° |
| O3 | C14 | C24 | H241 | 180.0° | 60.0° |
| O3 | C14 | C24 | H242 | 54.7° | 179.9° |
| O3 | C14 | C24 | H243 | 54.7° | 60.0° |
| O3 | C14 | C25 | H251 | 180.0° | 60.0° |
| O3 | C14 | C25 | H252 | 54.7° | 180.0° |
| O3 | C14 | C25 | H253 | 54.7° | 60.0° |
| C23 | C14 | C24 | C25 | 121.2° | 120.0° |
| C14 | C23 | H231 | H232 | 125.3° | 119.9° |
| C14 | C23 | H231 | H233 | 125.3° | 120.0° |
| C14 | C23 | H232 | H233 | 117.5° | 119.9° |
| C23 | C14 | C24 | H241 | 60.6° | 180.0° |
| C23 | C14 | C24 | H242 | 64.6° | 60.0° |
| C23 | C14 | C24 | H243 | 174.1° | 60.0° |
| C23 | C14 | C25 | H251 | 55.7° | 60.0° |
| C23 | C14 | C25 | H252 | 179.0° | 60.0° |
| C23 | C14 | C25 | H253 | 69.6° | 179.9° |
| C24 | C14 | C23 | H231 | 64.0° | 60.0° |
| C24 | C14 | C23 | H232 | 170.8° | 60.0° |
| C24 | C14 | C23 | H233 | 61.3° | 179.9° |
| C14 | C24 | H241 | H242 | 125.3° | 120.0° |
| C14 | C24 | H241 | H243 | 125.2° | 120.0° |
| C14 | C24 | H242 | H243 | 119.4° | 120.0° |
| C24 | C14 | C25 | H251 | 63.9° | 180.0° |
| C24 | C14 | C25 | H252 | 61.4° | 60.0° |
| C24 | C14 | C25 | H253 | 170.8° | 60.0° |
| C25 | C14 | C23 | H231 | 55.7° | 180.0° |
| C25 | C14 | C23 | H232 | 69.6° | 60.0° |
| C25 | C14 | C23 | H233 | 179.0° | 59.9° |
| C25 | C14 | C24 | H241 | 60.6° | 60.0° |
| C25 | C14 | C24 | H242 | 174.1° | 60.0° |
| C25 | C14 | C24 | H243 | 64.7° | 180.0° |
| C14 | C25 | H251 | H252 | 125.3° | 120.0° |
| C14 | C25 | H251 | H253 | 125.3° | 120.0° |
| C14 | C25 | H252 | H253 | 117.5° | 120.0° |
| C16 | C15 | H151 | H152 | 115.0° | 120.1° |
| C15 | C16 | C17 | C19 | 119.3° | 118.7° |
| C15 | C16 | C17 | H16 | 117.0° | 122.5° |
| C15 | C16 | C19 | H16 | 116.9° | 122.5° |
| C15 | C16 | C17 | C18 | 96.3° | 143.5° |
| C15 | C16 | C17 | H171 | 29.0° | 25.4° |
| C15 | C16 | C17 | H172 | 138.4° | 98.4° |
| C15 | C16 | C19 | N4 | 107.0° | 134.8° |
| C15 | C16 | C19 | O5 | 71.5° | 45.1° |
| H151 | C15 | C16 | C17 | 138.0° | 66.6° |
| H151 | C15 | C16 | C19 | 24.9° | 48.3° |
| H151 | C15 | C16 | H16 | 99.3° | 170.8° |
| H152 | C15 | C16 | C17 | 28.5° | 53.4° |
| H152 | C15 | C16 | C19 | 84.6° | 168.3° |
| H152 | C15 | C16 | H16 | 151.2° | 69.1° |
| C17 | C16 | C19 | H16 | 122.2° | 118.7° |
| C16 | C17 | C18 | H171 | 125.3° | 118.1° |
| C16 | C17 | C18 | H172 | 125.3° | 118.1° |
| C16 | C17 | H171 | H172 | 119.1° | 123.8° |
| C16 | C17 | C18 | N4 | 23.9° | 25.4° |
| C16 | C17 | C18 | H181 | 101.4° | 144.4° |
| C16 | C17 | C18 | H182 | 149.2° | 93.6° |
| C17 | C16 | C19 | N4 | 13.9° | 16.1° |
| C17 | C16 | C19 | O5 | 167.6° | 163.8° |
| C19 | C16 | C17 | C18 | 23.0° | 24.8° |
| C19 | C16 | C17 | H171 | 148.3° | 93.4° |
| C19 | C16 | C17 | H172 | 102.3° | 142.9° |
| C16 | C19 | N4 | C18 | 1.3° | 0.6° |
| C16 | C19 | N4 | O5 | 178.6° | 179.9° |
| C16 | C19 | N4 | HN4 | 178.7° | 179.5° |
| H16 | C16 | C17 | C18 | 146.7° | 94.0° |
| H16 | C16 | C17 | H171 | 88.0° | 147.9° |
| H16 | C16 | C17 | H172 | 21.4° | 24.1° |
| H16 | C16 | C19 | N4 | 136.1° | 102.7° |
| H16 | C16 | C19 | O5 | 45.4° | 77.5° |
| C18 | C17 | H171 | H172 | 119.1° | 123.8° |
| C17 | C18 | N4 | H181 | 125.3° | 119.0° |
| C17 | C18 | N4 | H182 | 125.3° | 119.0° |
| C17 | C18 | H181 | H182 | 121.0° | 122.0° |
| C17 | C18 | N4 | C19 | 15.9° | 17.1° |
| C17 | C18 | N4 | HN4 | 164.1° | 163.0° |
| H171 | C17 | C18 | N4 | 149.1° | 92.7° |
| H171 | C17 | C18 | H181 | 23.8° | 26.2° |
| H171 | C17 | C18 | H182 | 85.5° | 148.3° |
| H172 | C17 | C18 | N4 | 101.4° | 143.6° |
| H172 | C17 | C18 | H181 | 133.3° | 97.5° |
| H172 | C17 | C18 | H182 | 23.9° | 24.6° |
| N4 | C18 | H181 | H182 | 121.1° | 122.0° |
| C18 | N4 | C19 | HN4 | 180.0° | 179.9° |
| C18 | N4 | C19 | O5 | 177.3° | 179.5° |
| H181 | C18 | N4 | C19 | 109.3° | 136.1° |
| H181 | C18 | N4 | HN4 | 70.7° | 44.0° |
| H182 | C18 | N4 | C19 | 141.2° | 101.9° |
| H182 | C18 | N4 | HN4 | 38.8° | 78.0° |
| HN4 | N4 | C19 | O5 | 2.7° | 0.3° |
| C21 | C20 | C22 | H20 | 118.9° | 119.9° |
| C20 | C21 | H211 | H212 | 125.2° | 120.1° |
| C20 | C21 | H211 | H213 | 125.3° | 120.0° |
| C20 | C21 | H212 | H213 | 117.3° | 120.0° |
| C21 | C20 | C22 | H221 | 55.3° | 180.0° |
| C21 | C20 | C22 | H222 | 179.4° | 59.9° |
| C21 | C20 | C22 | H223 | 69.9° | 60.0° |
| C22 | C20 | C21 | H211 | 54.7° | 59.9° |
| C22 | C20 | C21 | H212 | 70.4° | 180.0° |
| C22 | C20 | C21 | H213 | 180.0° | 60.0° |
| C20 | C22 | H221 | H222 | 125.3° | 120.1° |
| C20 | C22 | H221 | H223 | 125.2° | 120.0° |
| C20 | C22 | H222 | H223 | 116.9° | 120.0° |
| H20 | C20 | C21 | H211 | 63.6° | 60.0° |
| H20 | C20 | C21 | H212 | 171.3° | 60.1° |
| H20 | C20 | C21 | H213 | 61.7° | 180.0° |
| H20 | C20 | C22 | H221 | 63.7° | 60.1° |
| H20 | C20 | C22 | H222 | 61.6° | 60.0° |
| H20 | C20 | C22 | H223 | 171.1° | 180.0° |
| H211 | C21 | H212 | H213 | 117.3° | 120.0° |
| H221 | C22 | H222 | H223 | 116.9° | 120.0° |
| H231 | C23 | H232 | H233 | 117.6° | 120.1° |
| H241 | C24 | H242 | H243 | 119.6° | 120.0° |
| H251 | C25 | H252 | H253 | 117.5° | 120.0° |
| C26 | C27 | O6 | O7 | 177.9° | 179.9° |
| C26 | C27 | O6 | C28 | 166.4° | 180.0° |
| H26 | C26 | C27 | O6 | 35.6° | 0.0° |
| H26 | C26 | C27 | O7 | 146.5° | 180.0° |
| C27 | O6 | C28 | C29 | 179.4° | 180.0° |
| C27 | O6 | C28 | H281 | 55.4° | 60.0° |
| C27 | O6 | C28 | H282 | 54.1° | 60.0° |
| O7 | C27 | O6 | C28 | 11.6° | 0.1° |
| O6 | C28 | C29 | H281 | 125.2° | 120.0° |
| O6 | C28 | C29 | H282 | 125.3° | 120.0° |
| O6 | C28 | H281 | H282 | 118.3° | 120.0° |
| O6 | C28 | C29 | H291 | 180.0° | 180.0° |
| O6 | C28 | C29 | H292 | 54.7° | 60.0° |
| O6 | C28 | C29 | H293 | 54.8° | 60.0° |
| C29 | C28 | H281 | H282 | 118.4° | 120.1° |
| C28 | C29 | H291 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H293 | 125.2° | 120.0° |
| C28 | C29 | H292 | H293 | 118.4° | 120.1° |
| H281 | C28 | C29 | H291 | 54.7° | 60.0° |
| H281 | C28 | C29 | H292 | 179.9° | 59.9° |
| H281 | C28 | C29 | H293 | 70.4° | 180.0° |
| H282 | C28 | C29 | H291 | 54.8° | 60.0° |
| H282 | C28 | C29 | H292 | 70.6° | 180.0° |
| H282 | C28 | C29 | H293 | 180.0° | 59.9° |
| H291 | C29 | H292 | H293 | 118.3° | 120.0° |
