I02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.48Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C7 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | sing | 1.40Å | 1.45Å | Aromatic |
| C5 | F1 | sing | 1.34Å | 1.34Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | N1 | sing | 1.45Å | 1.46Å | |
| C7 | C17 | sing | 1.53Å | 1.55Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| N1 | C8 | sing | 1.40Å | 1.36Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C8 | C9 | sing | 1.46Å | 1.47Å | |
| C8 | O1 | doub | 1.24Å | 1.23Å | |
| C9 | C14 | doub | 1.40Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C29 | sing | 1.43Å | 1.44Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | N2 | sing | 1.43Å | 1.38Å | |
| C13 | C14 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| N2 | C16 | sing | 1.49Å | 1.48Å | |
| N2 | S1 | sing | 1.73Å | 1.61Å | |
| S1 | C15 | sing | 1.78Å | 1.80Å | |
| S1 | O3 | doub | 1.45Å | 1.44Å | |
| S1 | O2 | doub | 1.45Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C17 | H173 | sing | 1.10Å | 1.10Å | |
| C20 | C30 | sing | 1.54Å | 1.49Å | |
| C20 | C22 | sing | 1.56Å | 1.54Å | |
| C20 | C21 | sing | 1.55Å | 1.53Å | |
| C20 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | HN31 | sing | 1.00Å | 1.00Å | |
| N3 | HN32 | sing | 1.00Å | 1.00Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C21 | H213 | sing | 1.10Å | 1.10Å | |
| C22 | C26 | sing | 1.51Å | 1.51Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C23 | C28 | sing | 1.39Å | 1.46Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.45Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | sing | 1.39Å | 1.45Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.47Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.46Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| N35 | N4 | sing | 1.38Å | 1.28Å | Aromatic |
| N35 | C30 | doub | 1.27Å | 1.35Å | Aromatic |
| N4 | C29 | doub | 1.31Å | 1.36Å | Aromatic |
| C29 | O4 | sing | 1.36Å | 1.30Å | Aromatic |
| O4 | C30 | sing | 1.33Å | 1.31Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.0° | 119.1° |
| C2 | C1 | H1 | 121.5° | 121.3° |
| C1 | C2 | C7 | 122.5° | 119.2° |
| C1 | C2 | C3 | 124.4° | 121.6° |
| C6 | C1 | H1 | 121.5° | 119.5° |
| C1 | C6 | C5 | 117.6° | 120.1° |
| C1 | C6 | H6 | 121.2° | 120.0° |
| C7 | C2 | C3 | 113.1° | 119.2° |
| C2 | C7 | N1 | 111.7° | 111.4° |
| C2 | C7 | C17 | 110.7° | 112.6° |
| C2 | C7 | H7 | 106.9° | 109.1° |
| C2 | C3 | C4 | 118.0° | 119.2° |
| C2 | C3 | H3 | 121.0° | 121.3° |
| C4 | C3 | H3 | 121.0° | 119.5° |
| C3 | C4 | C5 | 117.1° | 120.0° |
| C3 | C4 | H4 | 121.4° | 120.0° |
| C5 | C4 | H4 | 121.4° | 120.0° |
| C4 | C5 | C6 | 125.9° | 120.0° |
| C4 | C5 | F1 | 116.4° | 120.0° |
| C6 | C5 | F1 | 117.7° | 120.0° |
| C5 | C6 | H6 | 121.2° | 119.9° |
| N1 | C7 | C17 | 109.1° | 110.1° |
| N1 | C7 | H7 | 108.6° | 105.5° |
| C7 | N1 | C8 | 124.2° | 123.5° |
| C7 | N1 | HN1 | 117.9° | 117.1° |
| C17 | C7 | H7 | 109.7° | 107.8° |
| C7 | C17 | H171 | 109.5° | 111.1° |
| C7 | C17 | H172 | 109.4° | 110.5° |
| C7 | C17 | H173 | 109.5° | 111.9° |
| C8 | N1 | HN1 | 117.9° | 119.3° |
| N1 | C8 | C9 | 115.0° | 117.0° |
| N1 | C8 | O1 | 123.2° | 122.5° |
| C9 | C8 | O1 | 121.8° | 120.5° |
| C8 | C9 | C14 | 119.7° | 119.9° |
| C8 | C9 | C10 | 122.0° | 120.0° |
| C14 | C9 | C10 | 118.3° | 120.0° |
| C9 | C14 | C13 | 120.9° | 119.9° |
| C9 | C14 | H14 | 119.5° | 120.0° |
| C9 | C10 | C11 | 121.3° | 120.3° |
| C9 | C10 | H10 | 119.4° | 119.7° |
| C11 | C10 | H10 | 119.3° | 120.0° |
| C10 | C11 | C12 | 120.4° | 119.4° |
| C10 | C11 | C29 | 116.1° | 120.3° |
| C12 | C11 | C29 | 123.5° | 120.3° |
| C11 | C12 | C13 | 120.1° | 120.3° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C11 | C29 | N4 | 130.6° | 130.5° |
| C11 | C29 | O4 | 123.1° | 116.0° |
| C13 | C12 | H12 | 120.0° | 119.8° |
| C12 | C13 | N2 | 117.0° | 120.0° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| N2 | C13 | C14 | 123.9° | 119.9° |
| C13 | N2 | C16 | 121.0° | 117.4° |
| C13 | N2 | S1 | 121.6° | 117.4° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C16 | N2 | S1 | 117.1° | 117.5° |
| N2 | C16 | H161 | 109.5° | 110.1° |
| N2 | C16 | H162 | 109.5° | 110.2° |
| N2 | C16 | H163 | 109.5° | 110.2° |
| N2 | S1 | C15 | 108.9° | 101.4° |
| N2 | S1 | O3 | 105.1° | 110.0° |
| N2 | S1 | O2 | 107.8° | 109.4° |
| C15 | S1 | O3 | 109.5° | 107.4° |
| C15 | S1 | O2 | 106.5° | 106.8° |
| S1 | C15 | H151 | 109.5° | 108.4° |
| S1 | C15 | H152 | 109.5° | 108.4° |
| S1 | C15 | H153 | 109.5° | 108.4° |
| O3 | S1 | O2 | 118.7° | 120.1° |
| H151 | C15 | H152 | 109.5° | 110.5° |
| H151 | C15 | H153 | 109.4° | 110.5° |
| H152 | C15 | H153 | 109.5° | 110.5° |
| H161 | C16 | H162 | 109.4° | 108.8° |
| H161 | C16 | H163 | 109.5° | 108.8° |
| H162 | C16 | H163 | 109.5° | 108.7° |
| H171 | C17 | H172 | 109.5° | 108.1° |
| H171 | C17 | H173 | 109.4° | 108.0° |
| H172 | C17 | H173 | 109.5° | 107.1° |
| C30 | C20 | C22 | 110.0° | 110.7° |
| C30 | C20 | C21 | 109.6° | 110.7° |
| C30 | C20 | N3 | 104.3° | 112.0° |
| C20 | C30 | N35 | 136.2° | 127.2° |
| C20 | C30 | O4 | 116.2° | 114.1° |
| C22 | C20 | C21 | 110.5° | 108.2° |
| C22 | C20 | N3 | 112.7° | 109.4° |
| C20 | C22 | C26 | 116.8° | 115.7° |
| C20 | C22 | H221 | 107.1° | 109.6° |
| C20 | C22 | H222 | 105.4° | 109.9° |
| C21 | C20 | N3 | 109.6° | 105.6° |
| C20 | C21 | H211 | 109.5° | 112.7° |
| C20 | C21 | H212 | 109.4° | 111.2° |
| C20 | C21 | H213 | 109.4° | 110.9° |
| C20 | N3 | HN31 | 109.5° | 118.0° |
| C20 | N3 | HN32 | 109.5° | 118.0° |
| HN31 | N3 | HN32 | 109.5° | 122.6° |
| H211 | C21 | H212 | 109.5° | 107.8° |
| H211 | C21 | H213 | 109.5° | 106.9° |
| H212 | C21 | H213 | 109.5° | 107.1° |
| C26 | C22 | H221 | 107.1° | 107.8° |
| C26 | C22 | H222 | 105.4° | 108.2° |
| C22 | C26 | C25 | 118.3° | 119.2° |
| C22 | C26 | C27 | 119.2° | 119.2° |
| H221 | C22 | H222 | 115.4° | 105.0° |
| C28 | C23 | C24 | 123.1° | 120.0° |
| C28 | C23 | H23 | 118.5° | 120.0° |
| C23 | C28 | C27 | 118.5° | 120.0° |
| C23 | C28 | H28 | 120.8° | 120.0° |
| C24 | C23 | H23 | 118.4° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.0° |
| C23 | C24 | H24 | 120.6° | 120.0° |
| C25 | C24 | H24 | 120.6° | 120.1° |
| C24 | C25 | C26 | 118.5° | 119.2° |
| C24 | C25 | H25 | 120.8° | 119.4° |
| C26 | C25 | H25 | 120.8° | 121.4° |
| C25 | C26 | C27 | 122.5° | 121.7° |
| C26 | C27 | C28 | 118.6° | 119.2° |
| C26 | C27 | H27 | 120.7° | 121.3° |
| C28 | C27 | H27 | 120.7° | 119.5° |
| C27 | C28 | H28 | 120.8° | 120.0° |
| N4 | N35 | C30 | 107.9° | 103.4° |
| N35 | N4 | C29 | 109.0° | 105.9° |
| N35 | C30 | O4 | 107.4° | 118.7° |
| N4 | C29 | O4 | 106.3° | 113.6° |
| C29 | O4 | C30 | 109.4° | 98.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C7 | C3 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C1 | C2 | C3 | H3 | 177.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C2 | C1 | C6 | H6 | 179.7° | 180.0° |
| C1 | C2 | C7 | N1 | 65.1° | 34.3° |
| C1 | C2 | C7 | C17 | 56.8° | 90.0° |
| C1 | C2 | C7 | H7 | 176.2° | 150.4° |
| C6 | C1 | C2 | C7 | 179.4° | 179.9° |
| C6 | C1 | C2 | C3 | 1.3° | 0.0° |
| C1 | C6 | C5 | C4 | 1.4° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | F1 | 178.0° | 179.9° |
| H1 | C1 | C2 | C7 | 0.6° | 0.0° |
| H1 | C1 | C2 | C3 | 178.7° | 179.9° |
| H1 | C1 | C6 | C5 | 179.7° | 180.0° |
| H1 | C1 | C6 | H6 | 0.3° | 0.1° |
| C7 | C2 | C3 | C4 | 178.6° | 180.0° |
| C7 | C2 | C3 | H3 | 1.3° | 0.1° |
| C2 | C7 | N1 | C17 | 122.8° | 125.7° |
| C2 | C7 | N1 | H7 | 117.7° | 118.3° |
| C2 | C7 | C17 | H7 | 117.8° | 120.4° |
| C2 | C7 | N1 | C8 | 111.8° | 88.3° |
| C2 | C7 | N1 | HN1 | 68.2° | 87.7° |
| C2 | C7 | C17 | H171 | 173.9° | 116.4° |
| C2 | C7 | C17 | H172 | 53.9° | 123.7° |
| C2 | C7 | C17 | H173 | 66.2° | 4.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| C3 | C2 | C7 | N1 | 114.2° | 145.7° |
| C3 | C2 | C7 | C17 | 123.9° | 89.9° |
| C3 | C2 | C7 | H7 | 4.5° | 29.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | F1 | 178.7° | 180.0° |
| H3 | C3 | C4 | C5 | 179.0° | 180.0° |
| H3 | C3 | C4 | H4 | 1.0° | 0.0° |
| C4 | C5 | C6 | F1 | 179.3° | 180.0° |
| C4 | C5 | C6 | H6 | 178.6° | 179.9° |
| H4 | C4 | C5 | C6 | 179.4° | 180.0° |
| H4 | C4 | C5 | F1 | 1.3° | 0.0° |
| F1 | C5 | C6 | H6 | 2.0° | 0.0° |
| N1 | C7 | C17 | H7 | 118.9° | 114.6° |
| C7 | N1 | C8 | HN1 | 180.0° | 175.9° |
| C7 | N1 | C8 | C9 | 179.6° | 178.9° |
| C7 | N1 | C8 | O1 | 0.4° | 0.0° |
| N1 | C7 | C17 | H171 | 62.8° | 8.7° |
| N1 | C7 | C17 | H172 | 177.2° | 111.3° |
| N1 | C7 | C17 | H173 | 57.2° | 129.5° |
| C17 | C7 | N1 | C8 | 125.4° | 146.0° |
| C17 | C7 | N1 | HN1 | 54.6° | 38.1° |
| C7 | C17 | H171 | H172 | 120.0° | 121.4° |
| C7 | C17 | H171 | H173 | 120.0° | 123.1° |
| C7 | C17 | H172 | H173 | 120.0° | 122.1° |
| H7 | C7 | N1 | C8 | 5.9° | 30.0° |
| H7 | C7 | N1 | HN1 | 174.1° | 154.1° |
| H7 | C7 | C17 | H171 | 56.1° | 123.2° |
| H7 | C7 | C17 | H172 | 63.9° | 3.3° |
| H7 | C7 | C17 | H173 | 176.1° | 116.0° |
| N1 | C8 | C9 | O1 | 179.2° | 178.9° |
| N1 | C8 | C9 | C14 | 142.4° | 27.0° |
| N1 | C8 | C9 | C10 | 36.5° | 152.9° |
| HN1 | N1 | C8 | C9 | 0.4° | 3.0° |
| HN1 | N1 | C8 | O1 | 179.6° | 175.9° |
| C8 | C9 | C14 | C10 | 178.9° | 179.9° |
| C8 | C9 | C10 | C11 | 177.9° | 180.0° |
| C8 | C9 | C10 | H10 | 2.1° | 0.1° |
| C8 | C9 | C14 | C13 | 176.6° | 179.9° |
| C8 | C9 | C14 | H14 | 3.4° | 0.0° |
| O1 | C8 | C9 | C14 | 36.9° | 154.1° |
| O1 | C8 | C9 | C10 | 144.3° | 26.0° |
| C14 | C9 | C10 | C11 | 0.9° | 0.0° |
| C14 | C9 | C10 | H10 | 179.1° | 180.0° |
| C9 | C14 | C13 | C12 | 2.2° | 0.0° |
| C9 | C14 | C13 | N2 | 174.0° | 180.0° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C9 | C10 | C11 | C29 | 177.4° | 179.9° |
| C10 | C9 | C14 | C13 | 2.3° | 0.0° |
| C10 | C9 | C14 | H14 | 177.7° | 180.0° |
| C10 | C11 | C12 | C29 | 176.7° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C10 | C11 | C29 | N4 | 154.3° | 180.0° |
| C10 | C11 | C29 | O4 | 27.7° | 0.1° |
| H10 | C10 | C11 | C12 | 179.6° | 180.0° |
| H10 | C10 | C11 | C29 | 2.6° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | N2 | 175.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C11 | C29 | N4 | 28.9° | 0.1° |
| C12 | C11 | C29 | O4 | 149.1° | 180.0° |
| C29 | C11 | C12 | C13 | 177.2° | 179.9° |
| C29 | C11 | C12 | H12 | 2.8° | 0.1° |
| C11 | C29 | N4 | N35 | 179.5° | 179.9° |
| C11 | C29 | N4 | O4 | 178.2° | 179.9° |
| C11 | C29 | O4 | C30 | 179.4° | 179.9° |
| C12 | C13 | N2 | C14 | 176.3° | 180.0° |
| C12 | C13 | C14 | H14 | 177.8° | 180.0° |
| C12 | C13 | N2 | C16 | 51.9° | 90.0° |
| C12 | C13 | N2 | S1 | 134.7° | 121.2° |
| H12 | C12 | C13 | N2 | 4.3° | 0.0° |
| H12 | C12 | C13 | C14 | 179.2° | 180.0° |
| N2 | C13 | C14 | H14 | 6.0° | 0.0° |
| C13 | N2 | C16 | S1 | 173.7° | 148.7° |
| C13 | N2 | S1 | C15 | 92.4° | 90.0° |
| C13 | N2 | S1 | O3 | 150.3° | 23.4° |
| C13 | N2 | S1 | O2 | 22.8° | 157.4° |
| C13 | N2 | C16 | H161 | 144.7° | 176.0° |
| C13 | N2 | C16 | H162 | 95.4° | 64.0° |
| C13 | N2 | C16 | H163 | 24.6° | 56.0° |
| C14 | C13 | N2 | C16 | 131.8° | 90.0° |
| C14 | C13 | N2 | S1 | 41.6° | 58.7° |
| C16 | N2 | S1 | C15 | 81.3° | 58.7° |
| C16 | N2 | S1 | O3 | 36.0° | 172.2° |
| C16 | N2 | S1 | O2 | 163.5° | 53.8° |
| N2 | C16 | H161 | H162 | 120.0° | 120.9° |
| N2 | C16 | H161 | H163 | 120.0° | 120.8° |
| N2 | C16 | H162 | H163 | 120.0° | 120.9° |
| N2 | S1 | C15 | O3 | 114.5° | 115.4° |
| N2 | S1 | C15 | O2 | 116.1° | 114.5° |
| N2 | S1 | O3 | O2 | 120.6° | 128.3° |
| N2 | S1 | C15 | H151 | 143.6° | 107.9° |
| N2 | S1 | C15 | H152 | 23.6° | 132.2° |
| N2 | S1 | C15 | H153 | 96.4° | 12.1° |
| S1 | N2 | C16 | H161 | 41.6° | 35.3° |
| S1 | N2 | C16 | H162 | 78.4° | 84.8° |
| S1 | N2 | C16 | H163 | 161.6° | 155.3° |
| C15 | S1 | O3 | O2 | 122.5° | 122.1° |
| S1 | C15 | H151 | H152 | 120.0° | 118.7° |
| S1 | C15 | H151 | H153 | 120.0° | 118.7° |
| S1 | C15 | H152 | H153 | 120.0° | 118.8° |
| O3 | S1 | C15 | H151 | 101.9° | 7.5° |
| O3 | S1 | C15 | H152 | 138.1° | 112.5° |
| O3 | S1 | C15 | H153 | 18.1° | 127.5° |
| O2 | S1 | C15 | H151 | 27.6° | 137.6° |
| O2 | S1 | C15 | H152 | 92.5° | 17.6° |
| O2 | S1 | C15 | H153 | 147.5° | 102.4° |
| H151 | C15 | H152 | H153 | 120.0° | 122.6° |
| H161 | C16 | H162 | H163 | 120.0° | 118.3° |
| H171 | C17 | H172 | H173 | 120.0° | 116.1° |
| C30 | C20 | C22 | C21 | 121.1° | 121.5° |
| C30 | C20 | C22 | N3 | 116.0° | 123.9° |
| C30 | C20 | C21 | N3 | 113.9° | 121.4° |
| C30 | C20 | N3 | HN31 | 137.5° | 86.7° |
| C30 | C20 | N3 | HN32 | 102.5° | 80.0° |
| C30 | C20 | C21 | H211 | 57.5° | 65.9° |
| C30 | C20 | C21 | H212 | 177.5° | 55.2° |
| C30 | C20 | C21 | H213 | 62.5° | 174.3° |
| C30 | C20 | C22 | C26 | 53.0° | 60.0° |
| C30 | C20 | C22 | H221 | 67.0° | 177.9° |
| C30 | C20 | C22 | H222 | 169.6° | 63.0° |
| C20 | C30 | N35 | N4 | 176.0° | 180.0° |
| C20 | C30 | N35 | O4 | 175.9° | 179.9° |
| C20 | C30 | O4 | C29 | 175.5° | 180.0° |
| C22 | C20 | C21 | N3 | 124.8° | 117.1° |
| C22 | C20 | N3 | HN31 | 103.2° | 150.1° |
| C22 | C20 | N3 | HN32 | 16.8° | 43.2° |
| C22 | C20 | C21 | H211 | 63.9° | 172.6° |
| C22 | C20 | C21 | H212 | 56.1° | 66.3° |
| C22 | C20 | C21 | H213 | 176.1° | 52.8° |
| C20 | C22 | C26 | H221 | 120.0° | 123.1° |
| C20 | C22 | C26 | H222 | 116.6° | 123.8° |
| C20 | C22 | H221 | H222 | 117.0° | 118.0° |
| C20 | C22 | C26 | C25 | 88.9° | 90.0° |
| C20 | C22 | C26 | C27 | 90.6° | 90.0° |
| C22 | C20 | C30 | N35 | 88.7° | 119.9° |
| C22 | C20 | C30 | O4 | 86.9° | 60.0° |
| C21 | C20 | N3 | HN31 | 20.2° | 33.9° |
| C21 | C20 | N3 | HN32 | 140.3° | 159.5° |
| C20 | C21 | H211 | H212 | 120.0° | 123.0° |
| C20 | C21 | H211 | H213 | 120.0° | 122.1° |
| C20 | C21 | H212 | H213 | 119.9° | 121.3° |
| C21 | C20 | C22 | C26 | 174.1° | 61.5° |
| C21 | C20 | C22 | H221 | 54.1° | 60.7° |
| C21 | C20 | C22 | H222 | 69.3° | 175.6° |
| C21 | C20 | C30 | N35 | 32.9° | 0.1° |
| C21 | C20 | C30 | O4 | 151.5° | 180.0° |
| C20 | N3 | HN31 | HN32 | 120.0° | 166.0° |
| N3 | C20 | C21 | H211 | 171.4° | 55.5° |
| N3 | C20 | C21 | H212 | 68.6° | 176.6° |
| N3 | C20 | C21 | H213 | 51.4° | 64.3° |
| N3 | C20 | C22 | C26 | 63.0° | 176.1° |
| N3 | C20 | C22 | H221 | 177.0° | 54.0° |
| N3 | C20 | C22 | H222 | 53.6° | 60.9° |
| N3 | C20 | C30 | N35 | 150.1° | 117.6° |
| N3 | C20 | C30 | O4 | 34.3° | 62.4° |
| H211 | C21 | H212 | H213 | 120.0° | 114.7° |
| C26 | C22 | H221 | H222 | 117.0° | 115.2° |
| C22 | C26 | C25 | C24 | 178.8° | 180.0° |
| C22 | C26 | C25 | C27 | 179.5° | 180.0° |
| C22 | C26 | C25 | H25 | 1.2° | 0.0° |
| C22 | C26 | C27 | C28 | 178.5° | 180.0° |
| C22 | C26 | C27 | H27 | 1.4° | 0.0° |
| H221 | C22 | C26 | C25 | 31.1° | 146.9° |
| H221 | C22 | C26 | C27 | 149.4° | 33.1° |
| H222 | C22 | C26 | C25 | 154.5° | 33.9° |
| H222 | C22 | C26 | C27 | 25.9° | 146.2° |
| C28 | C23 | C24 | H23 | 180.0° | 180.0° |
| C28 | C23 | C24 | C25 | 0.0° | 0.0° |
| C28 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.7° | 0.1° |
| C23 | C28 | C27 | H28 | 180.0° | 179.9° |
| C23 | C28 | C27 | H27 | 179.4° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H25 | 179.7° | 180.0° |
| C24 | C23 | C28 | C27 | 0.2° | 0.1° |
| C24 | C23 | C28 | H28 | 179.9° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| H23 | C23 | C28 | C27 | 179.8° | 180.0° |
| H23 | C23 | C28 | H28 | 0.1° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.8° | 0.0° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | H25 | 0.3° | 0.1° |
| C25 | C26 | C27 | C28 | 1.0° | 0.1° |
| C25 | C26 | C27 | H27 | 179.0° | 180.0° |
| H25 | C25 | C26 | C27 | 179.2° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | H28 | 179.4° | 180.0° |
| H27 | C27 | C28 | H28 | 0.6° | 0.1° |
| N35 | N4 | C29 | O4 | 2.3° | 0.0° |
| N4 | N35 | C30 | O4 | 0.2° | 0.0° |
| C30 | N35 | N4 | C29 | 1.5° | 0.0° |
| N35 | C30 | O4 | C29 | 1.3° | 0.0° |
| N4 | C29 | O4 | C30 | 2.2° | 0.0° |
