FRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N3 | sing | 1.40Å | 1.36Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | F1 | sing | 1.35Å | 1.34Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | N4 | sing | 1.47Å | 1.45Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C32 | sing | 1.51Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | N3 | sing | 1.35Å | 1.33Å | |
| C20 | O3 | doub | 1.21Å | 1.22Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C15 | N2 | sing | 1.46Å | 1.46Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | C5 | sing | 1.48Å | 1.50Å | |
| C12 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | O2 | doub | 1.22Å | 1.22Å | |
| C13 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C8 | N1 | sing | 1.46Å | 1.47Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | C3 | sing | 1.48Å | 1.50Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.01Å | 1.00Å | |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C31 | C32 | 120.2° | 120.0° |
| C30 | C31 | H31 | 119.9° | 120.0° |
| C31 | C30 | C29 | 120.0° | 120.0° |
| C31 | C30 | H30 | 120.1° | 119.9° |
| C32 | C31 | H31 | 119.9° | 120.0° |
| C31 | C32 | C17 | 119.0° | 120.0° |
| C31 | C32 | C33 | 119.7° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | H29 | 120.0° | 120.0° |
| C33 | C28 | C29 | 119.9° | 120.0° |
| C33 | C28 | H28 | 120.0° | 120.0° |
| C28 | C33 | C32 | 120.2° | 120.0° |
| C28 | C33 | H33 | 119.9° | 120.0° |
| C29 | C28 | H28 | 120.1° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.0° |
| C26 | C27 | C22 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C27 | C26 | C25 | 119.5° | 119.9° |
| C27 | C26 | N3 | 122.9° | 120.0° |
| C22 | C27 | H27 | 119.9° | 120.0° |
| C27 | C22 | C23 | 119.9° | 120.0° |
| C27 | C22 | H22 | 120.0° | 120.0° |
| C25 | C26 | N3 | 117.7° | 120.1° |
| C26 | C25 | C24 | 120.4° | 120.0° |
| C26 | C25 | H25 | 119.8° | 120.0° |
| C26 | N3 | C20 | 126.6° | 120.0° |
| C26 | N3 | HN3 | 116.7° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.1° |
| C23 | C24 | H24 | 120.1° | 119.9° |
| C24 | C23 | C22 | 120.2° | 120.1° |
| C24 | C23 | F1 | 120.0° | 120.0° |
| C25 | C24 | H24 | 120.1° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.0° |
| C22 | C23 | F1 | 119.8° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C15 | C16 | C18 | 111.7° | 109.5° |
| C15 | C16 | N4 | 111.3° | 109.5° |
| C15 | C16 | H16 | 106.8° | 109.5° |
| C16 | C15 | C17 | 111.5° | 109.5° |
| C16 | C15 | N2 | 108.7° | 109.5° |
| C16 | C15 | H15 | 107.6° | 109.5° |
| C18 | C16 | N4 | 109.7° | 109.4° |
| C18 | C16 | H16 | 108.4° | 109.4° |
| C16 | C18 | C19 | 111.5° | 109.5° |
| C16 | C18 | H181 | 108.3° | 109.4° |
| C16 | C18 | H182 | 108.8° | 109.4° |
| N4 | C16 | H16 | 108.8° | 109.5° |
| C16 | N4 | HN41 | 109.5° | 106.7° |
| C16 | N4 | HN42 | 109.5° | 106.7° |
| C15 | C17 | C32 | 113.2° | 109.5° |
| C15 | C17 | H171 | 107.3° | 109.5° |
| C15 | C17 | H172 | 108.2° | 109.4° |
| C17 | C15 | N2 | 106.1° | 109.5° |
| C17 | C15 | H15 | 110.2° | 109.5° |
| C32 | C17 | H171 | 107.4° | 109.5° |
| C32 | C17 | H172 | 108.2° | 109.4° |
| C17 | C32 | C33 | 121.3° | 120.0° |
| H171 | C17 | H172 | 112.4° | 109.4° |
| N3 | C20 | O3 | 124.3° | 120.0° |
| N3 | C20 | C19 | 114.8° | 120.0° |
| C20 | N3 | HN3 | 116.7° | 120.0° |
| O3 | C20 | C19 | 120.9° | 120.0° |
| C20 | C19 | C21 | 109.6° | 109.5° |
| C20 | C19 | C18 | 111.5° | 109.5° |
| C20 | C19 | H19 | 108.3° | 109.5° |
| N2 | C15 | H15 | 112.9° | 109.5° |
| C15 | N2 | C12 | 123.0° | 120.0° |
| C15 | N2 | HN2 | 118.5° | 120.0° |
| C5 | C12 | N2 | 118.2° | 120.0° |
| C5 | C12 | O2 | 119.4° | 120.0° |
| C12 | C5 | C4 | 118.2° | 120.1° |
| C12 | C5 | C6 | 122.8° | 120.1° |
| N2 | C12 | O2 | 122.4° | 120.0° |
| C12 | N2 | HN2 | 118.5° | 120.0° |
| C11 | C13 | H131 | 109.5° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.5° |
| C11 | C13 | H133 | 109.5° | 109.5° |
| C13 | C11 | C8 | 112.2° | 109.5° |
| C13 | C11 | H111 | 108.0° | 109.4° |
| C13 | C11 | H112 | 108.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C14 | H142 | 109.5° | 109.5° |
| C10 | C14 | H143 | 109.5° | 109.5° |
| C14 | C10 | C9 | 113.6° | 109.5° |
| C14 | C10 | H101 | 107.2° | 109.5° |
| C14 | C10 | H102 | 108.1° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| C8 | C11 | H111 | 107.9° | 109.5° |
| C8 | C11 | H112 | 108.6° | 109.5° |
| C11 | C8 | N1 | 107.2° | 109.5° |
| C11 | C8 | H81 | 110.8° | 109.5° |
| C11 | C8 | H82 | 110.3° | 109.5° |
| H111 | C11 | H112 | 111.7° | 109.5° |
| C9 | C10 | H101 | 107.2° | 109.4° |
| C9 | C10 | H102 | 108.1° | 109.5° |
| C10 | C9 | N1 | 106.0° | 109.4° |
| C10 | C9 | H91 | 111.4° | 109.4° |
| C10 | C9 | H92 | 110.6° | 109.5° |
| H101 | C10 | H102 | 112.7° | 109.4° |
| N1 | C9 | H91 | 111.4° | 109.4° |
| N1 | C9 | H92 | 110.6° | 109.5° |
| C9 | N1 | C8 | 115.0° | 120.0° |
| C9 | N1 | C7 | 120.7° | 119.9° |
| H91 | C9 | H92 | 106.8° | 109.5° |
| N1 | C8 | H81 | 110.7° | 109.4° |
| N1 | C8 | H82 | 110.3° | 109.5° |
| C8 | N1 | C7 | 124.3° | 120.0° |
| H81 | C8 | H82 | 107.7° | 109.5° |
| C3 | C7 | O1 | 116.7° | 120.0° |
| C3 | C7 | N1 | 121.6° | 120.0° |
| C7 | C3 | C4 | 116.8° | 120.1° |
| C7 | C3 | C2 | 122.9° | 120.1° |
| O1 | C7 | N1 | 121.7° | 120.0° |
| C5 | C4 | C3 | 121.1° | 119.7° |
| C5 | C4 | H4 | 119.4° | 120.1° |
| C4 | C5 | C6 | 119.1° | 119.8° |
| C3 | C4 | H4 | 119.4° | 120.1° |
| C4 | C3 | C2 | 120.2° | 119.8° |
| C5 | C6 | C1 | 120.0° | 120.2° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C1 | C6 | H6 | 120.0° | 119.9° |
| C6 | C1 | C2 | 120.6° | 120.3° |
| C6 | C1 | H1 | 119.7° | 119.9° |
| C3 | C2 | C1 | 118.9° | 120.2° |
| C3 | C2 | H2 | 120.5° | 119.9° |
| C1 | C2 | H2 | 120.5° | 119.9° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C21 | C19 | C18 | 110.4° | 109.5° |
| C21 | C19 | H19 | 109.5° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.4° |
| C19 | C21 | H212 | 109.5° | 109.4° |
| C19 | C21 | H213 | 109.5° | 109.5° |
| C18 | C19 | H19 | 107.5° | 109.5° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C19 | C18 | H182 | 108.8° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H181 | C18 | H182 | 111.1° | 109.4° |
| HN41 | N4 | HN42 | 109.5° | 106.7° |
| C32 | C33 | H33 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C31 | C30 | C29 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C30 | C31 | C32 | C17 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 0.4° | 0.3° |
| C31 | C30 | C29 | H29 | 179.9° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.1° |
| C32 | C31 | C30 | H30 | 179.9° | 180.0° |
| C31 | C32 | C33 | C28 | 0.6° | 0.5° |
| C31 | C32 | C17 | C15 | 130.4° | 90.0° |
| C31 | C32 | C17 | C33 | 179.5° | 179.7° |
| C31 | C32 | C17 | H171 | 111.3° | 30.0° |
| C31 | C32 | C17 | H172 | 10.4° | 150.0° |
| C31 | C32 | C33 | H33 | 179.4° | 180.0° |
| H31 | C31 | C30 | C29 | 179.9° | 180.0° |
| H31 | C31 | C30 | H30 | 0.1° | 0.0° |
| H31 | C31 | C32 | C17 | 0.1° | 0.0° |
| H31 | C31 | C32 | C33 | 179.6° | 179.8° |
| C30 | C29 | C28 | C33 | 0.3° | 0.2° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | H28 | 179.7° | 179.9° |
| H30 | C30 | C29 | C28 | 179.9° | 180.0° |
| H30 | C30 | C29 | H29 | 0.1° | 0.1° |
| C33 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C33 | C32 | C17 | 179.9° | 179.8° |
| C28 | C33 | C32 | H33 | 180.0° | 179.6° |
| C33 | C28 | C29 | H29 | 179.7° | 179.9° |
| C29 | C28 | C33 | C32 | 0.6° | 0.4° |
| C29 | C28 | C33 | H33 | 179.5° | 180.0° |
| H28 | C28 | C33 | C32 | 179.5° | 179.7° |
| H28 | C28 | C33 | H33 | 0.5° | 0.1° |
| H28 | C28 | C29 | H29 | 0.3° | 0.0° |
| C26 | C27 | C22 | H27 | 180.0° | 180.0° |
| C27 | C26 | C25 | N3 | 179.3° | 179.7° |
| C27 | C26 | C25 | C24 | 0.6° | 0.6° |
| C26 | C27 | C22 | C23 | 0.2° | 0.1° |
| C26 | C27 | C22 | H22 | 179.8° | 180.0° |
| C27 | C26 | N3 | C20 | 0.6° | 130.7° |
| C27 | C26 | C25 | H25 | 179.4° | 180.0° |
| C27 | C26 | N3 | HN3 | 179.4° | 49.4° |
| C22 | C27 | C26 | C25 | 0.5° | 0.2° |
| C22 | C27 | C26 | N3 | 178.8° | 180.0° |
| C27 | C22 | C23 | C24 | 0.0° | 0.0° |
| C27 | C22 | C23 | H22 | 180.0° | 180.0° |
| C27 | C22 | C23 | F1 | 179.9° | 180.0° |
| H27 | C27 | C26 | C25 | 179.5° | 179.7° |
| H27 | C27 | C26 | N3 | 1.2° | 0.0° |
| H27 | C27 | C22 | C23 | 179.8° | 180.0° |
| H27 | C27 | C22 | H22 | 0.2° | 0.0° |
| C26 | C25 | C24 | C23 | 0.4° | 0.6° |
| C26 | C25 | C24 | H25 | 180.0° | 179.4° |
| C26 | C25 | C24 | H24 | 179.7° | 179.7° |
| C25 | C26 | N3 | C20 | 179.9° | 49.5° |
| C25 | C26 | N3 | HN3 | 0.1° | 130.3° |
| N3 | C26 | C25 | C24 | 178.7° | 179.7° |
| C26 | N3 | C20 | HN3 | 180.0° | 179.9° |
| C26 | N3 | C20 | O3 | 0.1° | 5.1° |
| C26 | N3 | C20 | C19 | 179.6° | 174.9° |
| N3 | C26 | C25 | H25 | 1.3° | 0.3° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C24 | C23 | C22 | F1 | 179.8° | 180.0° |
| C24 | C23 | C22 | H22 | 180.0° | 180.0° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.3° |
| C25 | C24 | C23 | F1 | 179.8° | 179.7° |
| H24 | C24 | C23 | C22 | 180.0° | 180.0° |
| H24 | C24 | C23 | F1 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.4° | 0.3° |
| F1 | C23 | C22 | H22 | 0.1° | 0.0° |
| C15 | C16 | C18 | N4 | 123.9° | 120.1° |
| C15 | C16 | C18 | H16 | 117.3° | 120.0° |
| C15 | C16 | N4 | H16 | 117.4° | 120.0° |
| C16 | C15 | C17 | N2 | 118.2° | 120.0° |
| C16 | C15 | C17 | H15 | 119.4° | 120.0° |
| C16 | C15 | C17 | C32 | 164.5° | 175.0° |
| C16 | C15 | C17 | H171 | 77.2° | 64.9° |
| C16 | C15 | C17 | H172 | 44.4° | 55.0° |
| C16 | C15 | N2 | H15 | 119.3° | 120.0° |
| C16 | C15 | N2 | C12 | 104.5° | 155.0° |
| C15 | C16 | C18 | C19 | 138.7° | 172.4° |
| C15 | C16 | C18 | H181 | 19.6° | 67.6° |
| C15 | C16 | C18 | H182 | 101.3° | 52.3° |
| C15 | C16 | N4 | HN41 | 105.9° | 67.1° |
| C15 | C16 | N4 | HN42 | 14.1° | 179.0° |
| C16 | C15 | N2 | HN2 | 75.5° | 25.0° |
| C18 | C16 | N4 | H16 | 118.4° | 119.9° |
| C18 | C16 | C15 | C17 | 174.0° | 65.0° |
| C16 | C18 | C19 | C20 | 84.1° | 98.9° |
| C18 | C16 | C15 | N2 | 69.4° | 175.0° |
| C18 | C16 | C15 | H15 | 53.1° | 55.0° |
| C16 | C18 | C19 | C21 | 153.9° | 141.1° |
| C16 | C18 | C19 | H181 | 119.1° | 120.0° |
| C16 | C18 | C19 | H182 | 120.0° | 120.0° |
| C16 | C18 | C19 | H19 | 34.5° | 21.1° |
| C16 | C18 | H181 | H182 | 119.5° | 119.9° |
| C18 | C16 | N4 | HN41 | 18.2° | 52.9° |
| C18 | C16 | N4 | HN42 | 138.2° | 60.9° |
| N4 | C16 | C15 | C17 | 62.9° | 175.0° |
| N4 | C16 | C15 | N2 | 53.6° | 55.0° |
| N4 | C16 | C15 | H15 | 176.2° | 65.0° |
| N4 | C16 | C18 | C19 | 97.4° | 67.6° |
| N4 | C16 | C18 | H181 | 143.5° | 52.5° |
| N4 | C16 | C18 | H182 | 22.6° | 172.4° |
| C16 | N4 | HN41 | HN42 | 120.1° | 113.8° |
| H16 | C16 | C15 | C17 | 55.7° | 55.0° |
| H16 | C16 | C15 | N2 | 172.3° | 65.1° |
| H16 | C16 | C15 | H15 | 65.2° | 175.0° |
| H16 | C16 | C18 | C19 | 21.4° | 52.4° |
| H16 | C16 | C18 | H181 | 97.7° | 172.4° |
| H16 | C16 | C18 | H182 | 141.4° | 67.7° |
| H16 | C16 | N4 | HN41 | 136.7° | 172.9° |
| H16 | C16 | N4 | HN42 | 103.3° | 59.0° |
| C15 | C17 | C32 | H171 | 118.3° | 120.0° |
| C15 | C17 | C32 | H172 | 120.0° | 120.0° |
| C15 | C17 | H171 | H172 | 118.9° | 119.9° |
| C17 | C15 | N2 | H15 | 120.7° | 120.0° |
| C17 | C15 | N2 | C12 | 135.6° | 84.9° |
| C15 | C17 | C32 | C33 | 50.1° | 90.2° |
| C17 | C15 | N2 | HN2 | 44.5° | 95.0° |
| C32 | C17 | H171 | H172 | 119.0° | 120.0° |
| C32 | C17 | C15 | N2 | 46.3° | 65.0° |
| C32 | C17 | C15 | H15 | 76.2° | 55.0° |
| C17 | C32 | C33 | H33 | 0.1° | 0.2° |
| H171 | C17 | C15 | N2 | 164.7° | 55.1° |
| H171 | C17 | C15 | H15 | 42.2° | 175.1° |
| H171 | C17 | C32 | C33 | 68.2° | 149.7° |
| H172 | C17 | C15 | N2 | 73.7° | 175.0° |
| H172 | C17 | C15 | H15 | 163.8° | 65.0° |
| H172 | C17 | C32 | C33 | 170.1° | 29.7° |
| N3 | C20 | O3 | C19 | 179.7° | 180.0° |
| N3 | C20 | C19 | C21 | 94.1° | 60.0° |
| N3 | C20 | C19 | C18 | 143.3° | 180.0° |
| N3 | C20 | C19 | H19 | 25.2° | 60.0° |
| O3 | C20 | N3 | HN3 | 179.9° | 175.0° |
| O3 | C20 | C19 | C21 | 85.6° | 120.0° |
| O3 | C20 | C19 | C18 | 36.9° | 0.1° |
| O3 | C20 | C19 | H19 | 155.1° | 120.0° |
| C19 | C20 | N3 | HN3 | 0.4° | 5.0° |
| C20 | C19 | C21 | C18 | 123.2° | 120.0° |
| C20 | C19 | C21 | H19 | 118.7° | 120.0° |
| C20 | C19 | C18 | H19 | 118.6° | 120.0° |
| C20 | C19 | C21 | H211 | 60.1° | 55.0° |
| C20 | C19 | C21 | H212 | 59.9° | 65.0° |
| C20 | C19 | C21 | H213 | 179.9° | 175.0° |
| C20 | C19 | C18 | H181 | 35.1° | 141.1° |
| C20 | C19 | C18 | H182 | 155.9° | 21.1° |
| C15 | N2 | C12 | C5 | 179.0° | 180.0° |
| C15 | N2 | C12 | HN2 | 180.0° | 179.9° |
| C15 | N2 | C12 | O2 | 0.4° | 0.1° |
| H15 | C15 | N2 | C12 | 14.8° | 35.0° |
| H15 | C15 | N2 | HN2 | 165.2° | 145.0° |
| C5 | C12 | N2 | O2 | 179.4° | 180.0° |
| C12 | C5 | C4 | C6 | 179.5° | 179.7° |
| C12 | C5 | C4 | C3 | 179.0° | 179.7° |
| C12 | C5 | C4 | H4 | 1.0° | 0.3° |
| C12 | C5 | C6 | C1 | 179.6° | 180.0° |
| C12 | C5 | C6 | H6 | 0.4° | 0.0° |
| C5 | C12 | N2 | HN2 | 1.0° | 0.0° |
| N2 | C12 | C5 | C4 | 28.9° | 179.7° |
| N2 | C12 | C5 | C6 | 151.6° | 0.0° |
| O2 | C12 | C5 | C4 | 150.5° | 0.2° |
| O2 | C12 | C5 | C6 | 28.9° | 180.0° |
| O2 | C12 | N2 | HN2 | 179.6° | 180.0° |
| C11 | C13 | H131 | H132 | 120.0° | 120.0° |
| C11 | C13 | H131 | H133 | 120.0° | 120.0° |
| C11 | C13 | H132 | H133 | 120.1° | 120.0° |
| C13 | C11 | C8 | H111 | 118.8° | 120.0° |
| C13 | C11 | C8 | H112 | 120.0° | 120.0° |
| C13 | C11 | H111 | H112 | 119.2° | 120.0° |
| C13 | C11 | C8 | N1 | 81.1° | 180.0° |
| C13 | C11 | C8 | H81 | 158.0° | 60.1° |
| C13 | C11 | C8 | H82 | 38.9° | 60.0° |
| H131 | C13 | H132 | H133 | 119.9° | 120.0° |
| H131 | C13 | C11 | C8 | 1.8° | 60.0° |
| H131 | C13 | C11 | H111 | 120.6° | 60.0° |
| H131 | C13 | C11 | H112 | 118.2° | 180.0° |
| H132 | C13 | C11 | C8 | 121.8° | 180.0° |
| H132 | C13 | C11 | H111 | 119.4° | 60.0° |
| H132 | C13 | C11 | H112 | 1.8° | 60.0° |
| H133 | C13 | C11 | C8 | 118.2° | 60.1° |
| H133 | C13 | C11 | H111 | 0.6° | 180.0° |
| H133 | C13 | C11 | H112 | 121.8° | 60.0° |
| C10 | C14 | H141 | H142 | 120.0° | 120.0° |
| C10 | C14 | H141 | H143 | 120.0° | 120.0° |
| C10 | C14 | H142 | H143 | 120.0° | 120.1° |
| C14 | C10 | C9 | H101 | 118.2° | 120.0° |
| C14 | C10 | C9 | H102 | 120.0° | 120.0° |
| C14 | C10 | H101 | H102 | 118.9° | 120.0° |
| C14 | C10 | C9 | N1 | 73.1° | 175.7° |
| C14 | C10 | C9 | H91 | 165.6° | 64.5° |
| C14 | C10 | C9 | H92 | 46.9° | 55.6° |
| H141 | C14 | H142 | H143 | 120.0° | 119.9° |
| H141 | C14 | C10 | C9 | 156.3° | 60.0° |
| H141 | C14 | C10 | H101 | 38.1° | NaN° |
| H141 | C14 | C10 | H102 | 83.8° | 60.1° |
| H142 | C14 | C10 | C9 | 36.2° | 180.0° |
| H142 | C14 | C10 | H101 | 81.9° | 60.0° |
| H142 | C14 | C10 | H102 | 156.2° | 59.9° |
| H143 | C14 | C10 | C9 | 83.8° | 59.9° |
| H143 | C14 | C10 | H101 | 158.0° | 60.0° |
| H143 | C14 | C10 | H102 | 36.2° | 180.0° |
| C8 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | C8 | N1 | C9 | 68.3° | 90.0° |
| C11 | C8 | N1 | H81 | 120.9° | 120.0° |
| C11 | C8 | N1 | H82 | 120.0° | 120.1° |
| C11 | C8 | H81 | H82 | 120.6° | 120.0° |
| C11 | C8 | N1 | C7 | 111.5° | 90.0° |
| H111 | C11 | C8 | N1 | 37.8° | 60.0° |
| H111 | C11 | C8 | H81 | 83.1° | 180.0° |
| H111 | C11 | C8 | H82 | 157.8° | 60.0° |
| H112 | C11 | C8 | N1 | 159.0° | 60.0° |
| H112 | C11 | C8 | H81 | 38.1° | 60.0° |
| H112 | C11 | C8 | H82 | 81.0° | NaN° |
| C9 | C10 | H101 | H102 | 118.9° | 120.0° |
| C10 | C9 | N1 | H91 | 121.3° | 119.9° |
| C10 | C9 | N1 | H92 | 120.0° | 120.1° |
| C10 | C9 | H91 | H92 | 120.9° | 120.1° |
| C10 | C9 | N1 | C8 | 78.3° | 71.1° |
| C10 | C9 | N1 | C7 | 101.9° | 109.0° |
| H101 | C10 | C9 | N1 | 45.1° | 55.7° |
| H101 | C10 | C9 | H91 | 76.2° | 175.6° |
| H101 | C10 | C9 | H92 | 165.1° | 64.4° |
| H102 | C10 | C9 | N1 | 166.9° | 64.3° |
| H102 | C10 | C9 | H91 | 45.6° | 55.6° |
| H102 | C10 | C9 | H92 | 73.1° | 175.7° |
| N1 | C9 | H91 | H92 | 120.9° | 120.0° |
| C9 | N1 | C8 | C7 | 179.8° | 180.0° |
| C9 | N1 | C8 | H81 | 52.6° | 150.0° |
| C9 | N1 | C8 | H82 | 171.7° | 30.0° |
| C9 | N1 | C7 | C3 | 178.2° | 52.0° |
| C9 | N1 | C7 | O1 | 0.7° | 128.0° |
| H91 | C9 | N1 | C8 | 43.1° | 48.8° |
| H91 | C9 | N1 | C7 | 136.7° | 131.1° |
| H92 | C9 | N1 | C8 | 161.7° | 168.9° |
| H92 | C9 | N1 | C7 | 18.1° | 11.1° |
| N1 | C8 | H81 | H82 | 120.6° | 120.0° |
| C8 | N1 | C7 | C3 | 2.1° | 128.0° |
| C8 | N1 | C7 | O1 | 179.6° | 52.0° |
| H81 | C8 | N1 | C7 | 127.6° | 30.0° |
| H82 | C8 | N1 | C7 | 8.5° | 150.0° |
| C3 | C7 | O1 | N1 | 177.6° | 179.9° |
| C7 | C3 | C4 | C5 | 179.4° | 179.8° |
| C7 | C3 | C4 | C2 | 178.3° | 179.7° |
| C7 | C3 | C4 | H4 | 0.6° | 0.3° |
| C7 | C3 | C2 | C1 | 179.3° | 180.0° |
| C7 | C3 | C2 | H2 | 0.7° | 0.0° |
| O1 | C7 | C3 | C4 | 107.3° | 21.6° |
| O1 | C7 | C3 | C2 | 70.9° | 158.7° |
| N1 | C7 | C3 | C4 | 70.3° | 158.4° |
| N1 | C7 | C3 | C2 | 111.5° | 21.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.5° |
| C4 | C5 | C6 | C1 | 0.2° | 0.3° |
| C4 | C5 | C6 | H6 | 179.8° | 179.8° |
| C5 | C4 | C3 | C2 | 1.1° | 0.5° |
| C3 | C4 | C5 | C6 | 0.4° | 0.5° |
| C4 | C3 | C2 | C1 | 1.1° | 0.2° |
| C4 | C3 | C2 | H2 | 178.9° | 179.7° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C3 | C2 | 178.9° | 180.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 179.5° | 180.0° |
| H6 | C6 | C1 | C2 | 179.9° | 180.0° |
| H6 | C6 | C1 | H1 | 0.2° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.5° | 179.9° |
| H2 | C2 | C1 | H1 | 0.5° | 0.1° |
| C21 | C19 | C18 | H19 | 119.4° | 120.0° |
| C19 | C21 | H211 | H212 | 120.0° | 119.9° |
| C19 | C21 | H211 | H213 | 120.0° | 120.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | C19 | C18 | H181 | 87.0° | 21.1° |
| C21 | C19 | C18 | H182 | 33.9° | 98.9° |
| C18 | C19 | C21 | H211 | 176.7° | 65.0° |
| C18 | C19 | C21 | H212 | 63.3° | 175.0° |
| C18 | C19 | C21 | H213 | 56.7° | 55.0° |
| C19 | C18 | H181 | H182 | 119.4° | 120.0° |
| H19 | C19 | C21 | H211 | 58.6° | 175.0° |
| H19 | C19 | C21 | H212 | 178.6° | 55.1° |
| H19 | C19 | C21 | H213 | 61.4° | 65.0° |
| H19 | C19 | C18 | H181 | 153.7° | 98.9° |
| H19 | C19 | C18 | H182 | 85.5° | 141.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.1° |
