JZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| F1 | C5 | sing | 1.35Å | 1.34Å | |
| N1 | C13 | sing | 1.47Å | 1.46Å | |
| N1 | C14 | sing | 1.39Å | 1.40Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| F2 | C34 | sing | 1.40Å | 1.36Å | |
| N2 | N3 | sing | 1.40Å | 1.34Å | Aromatic |
| N2 | C19 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| O2 | C12 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| F3 | C34 | sing | 1.40Å | 1.36Å | |
| N3 | C20 | doub | 1.30Å | 1.33Å | Aromatic |
| O3 | C28 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| F4 | C34 | sing | 1.40Å | 1.34Å | |
| N4 | C28 | sing | 1.35Å | 1.37Å | |
| N4 | C29 | sing | 1.47Å | 1.43Å | |
| N4 | C32 | sing | 1.47Å | 1.43Å | |
| O4 | C33 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C33 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C10 | sing | 1.53Å | 1.51Å | |
| C8 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C34 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C21 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C21 | doub | 1.41Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C28 | sing | 1.48Å | 1.47Å | |
| C29 | C30 | sing | 1.54Å | 1.52Å | |
| C30 | C31 | sing | 1.55Å | 1.49Å | |
| C31 | C32 | sing | 1.55Å | 1.51Å | |
| C32 | C33 | sing | 1.51Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 104.7° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H1A | 109.5° | 109.5° |
| O1 | C1 | H1B | 109.5° | 109.4° |
| F1 | C5 | C4 | 118.7° | 120.0° |
| F1 | C5 | C6 | 120.3° | 120.0° |
| C13 | N1 | C14 | 117.1° | 120.0° |
| N1 | C13 | C12 | 106.6° | 109.4° |
| C13 | N1 | HN1 | 107.0° | 120.0° |
| N1 | C13 | H13 | 110.4° | 109.4° |
| N1 | C13 | H13A | 110.4° | 109.5° |
| N1 | C14 | C15 | 125.7° | 120.2° |
| N1 | C14 | C21 | 118.5° | 120.2° |
| C14 | N1 | HN1 | 107.0° | 120.0° |
| O1 | C2 | C3 | 115.9° | 120.0° |
| O1 | C2 | C7 | 122.4° | 120.0° |
| C3 | C2 | C7 | 121.8° | 120.0° |
| C2 | C3 | C4 | 119.9° | 119.9° |
| C2 | C3 | H3 | 120.1° | 120.1° |
| C2 | C7 | C6 | 117.7° | 119.9° |
| C2 | C7 | C8 | 123.7° | 120.0° |
| F2 | C34 | F3 | 105.9° | 109.4° |
| F2 | C34 | F4 | 105.8° | 109.5° |
| F2 | C34 | C12 | 110.7° | 109.5° |
| N3 | N2 | C19 | 113.8° | 108.1° |
| N3 | N2 | C22 | 120.3° | 126.0° |
| N2 | N3 | C20 | 103.6° | 109.8° |
| C19 | N2 | C22 | 124.3° | 126.0° |
| N2 | C19 | C18 | 131.0° | 133.7° |
| N2 | C19 | C21 | 105.9° | 106.5° |
| N2 | C22 | C23 | 120.8° | 120.0° |
| N2 | C22 | C27 | 117.2° | 120.0° |
| O2 | C12 | C11 | 101.2° | 109.5° |
| O2 | C12 | C13 | 106.0° | 109.5° |
| O2 | C12 | C34 | 99.7° | 109.5° |
| C12 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.1° | 120.1° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 120.5° | 119.9° |
| F3 | C34 | F4 | 109.1° | 109.4° |
| F3 | C34 | C12 | 112.8° | 109.5° |
| N3 | C20 | C21 | 112.5° | 108.7° |
| N3 | C20 | H20 | 123.8° | 125.7° |
| O3 | C28 | N4 | 121.2° | 120.0° |
| O3 | C28 | C26 | 117.4° | 120.0° |
| C4 | C5 | C6 | 121.0° | 120.1° |
| C5 | C4 | H4 | 120.5° | 120.0° |
| F4 | C34 | C12 | 112.1° | 109.5° |
| C28 | N4 | C29 | 113.9° | 125.6° |
| C28 | N4 | C32 | 114.6° | 125.7° |
| N4 | C28 | C26 | 121.5° | 120.0° |
| C29 | N4 | C32 | 105.8° | 108.7° |
| N4 | C29 | C30 | 107.3° | 107.2° |
| N4 | C29 | H29 | 110.2° | 109.9° |
| N4 | C29 | H29A | 110.2° | 109.9° |
| N4 | C32 | C31 | 108.8° | 104.7° |
| N4 | C32 | C33 | 100.1° | 110.3° |
| N4 | C32 | H32 | 116.4° | 110.4° |
| O4 | C33 | N5 | 126.5° | 120.0° |
| O4 | C33 | C32 | 124.2° | 120.0° |
| C5 | C6 | C7 | 120.6° | 120.1° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| N5 | C33 | C32 | 109.3° | 120.0° |
| C33 | N5 | HN5 | 120.0° | 120.0° |
| C33 | N5 | HN5A | 120.0° | 120.0° |
| C6 | C7 | C8 | 118.6° | 120.1° |
| C7 | C6 | H6 | 119.7° | 119.9° |
| C7 | C8 | C9 | 113.3° | 109.4° |
| C7 | C8 | C10 | 106.5° | 109.5° |
| C7 | C8 | C11 | 114.9° | 109.4° |
| C9 | C8 | C10 | 104.5° | 109.5° |
| C9 | C8 | C11 | 111.3° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.4° | 109.4° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| C10 | C8 | C11 | 105.2° | 109.5° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H10A | 109.5° | 109.5° |
| C8 | C10 | H10B | 109.5° | 109.4° |
| C8 | C11 | C12 | 121.2° | 109.5° |
| C8 | C11 | H11 | 105.7° | 109.4° |
| C8 | C11 | H11A | 105.7° | 109.5° |
| C11 | C12 | C13 | 115.7° | 109.5° |
| C11 | C12 | C34 | 117.9° | 109.4° |
| C12 | C11 | H11 | 105.7° | 109.5° |
| C12 | C11 | H11A | 105.7° | 109.5° |
| C13 | C12 | C34 | 113.2° | 109.5° |
| C12 | C13 | H13 | 110.4° | 109.5° |
| C12 | C13 | H13A | 110.5° | 109.5° |
| C15 | C14 | C21 | 115.8° | 119.6° |
| C14 | C15 | C16 | 122.3° | 120.5° |
| C14 | C15 | H15 | 118.9° | 119.8° |
| C14 | C21 | C19 | 121.3° | 119.5° |
| C14 | C21 | C20 | 134.3° | 133.6° |
| C15 | C16 | C17 | 117.6° | 119.7° |
| C15 | C16 | C18 | 122.3° | 120.7° |
| C16 | C15 | H15 | 118.9° | 119.7° |
| C17 | C16 | C18 | 120.1° | 119.6° |
| C16 | C17 | H17 | 109.5° | 109.4° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| C16 | C18 | C19 | 115.3° | 120.0° |
| C16 | C18 | H18 | 122.3° | 120.0° |
| C18 | C19 | C21 | 123.1° | 119.8° |
| C19 | C18 | H18 | 122.4° | 120.0° |
| C19 | C21 | C20 | 104.4° | 107.0° |
| C21 | C20 | H20 | 123.7° | 125.7° |
| C23 | C22 | C27 | 121.9° | 119.9° |
| C22 | C23 | C24 | 118.5° | 120.2° |
| C22 | C23 | H23 | 120.8° | 119.8° |
| C22 | C27 | C26 | 118.8° | 119.8° |
| C22 | C27 | H27 | 120.6° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.2° |
| C24 | C23 | H23 | 120.7° | 119.9° |
| C23 | C24 | H24 | 119.7° | 119.8° |
| C24 | C25 | C26 | 119.5° | 120.0° |
| C25 | C24 | H24 | 119.7° | 119.9° |
| C24 | C25 | H25 | 120.2° | 120.0° |
| C25 | C26 | C27 | 120.6° | 119.8° |
| C25 | C26 | C28 | 123.9° | 120.1° |
| C26 | C25 | H25 | 120.2° | 120.0° |
| C27 | C26 | C28 | 115.5° | 120.1° |
| C26 | C27 | H27 | 120.6° | 120.1° |
| C29 | C30 | C31 | 105.0° | 103.0° |
| C30 | C29 | H29 | 110.2° | 109.9° |
| C30 | C29 | H29A | 110.2° | 109.8° |
| C29 | C30 | H30 | 111.0° | 110.7° |
| C29 | C30 | H30A | 111.0° | 110.8° |
| C30 | C31 | C32 | 104.9° | 101.4° |
| C31 | C30 | H30 | 111.0° | 110.7° |
| C31 | C30 | H30A | 111.0° | 110.7° |
| C30 | C31 | H31 | 111.0° | 111.0° |
| C30 | C31 | H31A | 111.0° | 111.0° |
| C31 | C32 | C33 | 111.4° | 110.3° |
| C32 | C31 | H31 | 111.0° | 111.2° |
| C32 | C31 | H31A | 111.0° | 110.9° |
| C31 | C32 | H32 | 106.1° | 110.5° |
| C33 | C32 | H32 | 114.0° | 110.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| HN5 | N5 | HN5A | 120.0° | 120.1° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H11 | C11 | H11A | 112.9° | 109.5° |
| H13 | C13 | H13A | 108.5° | 109.5° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H29 | C29 | H29A | 108.7° | 110.0° |
| H30 | C30 | H30A | 107.9° | 110.7° |
| H31 | C31 | H31A | 107.9° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 79.0° | 0.0° |
| C1 | O1 | C2 | C7 | 101.3° | 179.7° |
| O1 | C1 | H1 | H1A | 120.0° | 120.0° |
| O1 | C1 | H1 | H1B | 120.0° | 120.0° |
| O1 | C1 | H1A | H1B | 120.0° | 120.0° |
| F1 | C5 | C4 | C3 | 180.0° | 180.0° |
| F1 | C5 | C4 | C6 | 179.9° | 180.0° |
| F1 | C5 | C6 | C7 | 179.7° | 179.7° |
| F1 | C5 | C4 | H4 | 0.0° | 0.0° |
| F1 | C5 | C6 | H6 | 0.3° | 0.0° |
| C13 | N1 | C14 | HN1 | 120.0° | 179.9° |
| N1 | C13 | C12 | O2 | 29.3° | 60.0° |
| N1 | C13 | C12 | C11 | 140.5° | 179.9° |
| N1 | C13 | C12 | H13 | 120.0° | 119.9° |
| N1 | C13 | C12 | H13A | 120.0° | 120.0° |
| N1 | C13 | C12 | C34 | 79.0° | 60.0° |
| C13 | N1 | C14 | C15 | 7.8° | 0.1° |
| C13 | N1 | C14 | C21 | 172.2° | 180.0° |
| N1 | C13 | H13 | H13A | 121.1° | 120.0° |
| C14 | N1 | C13 | C12 | 146.9° | 180.0° |
| N1 | C14 | C15 | C21 | 180.0° | 179.9° |
| N1 | C14 | C15 | C16 | 179.9° | 180.0° |
| N1 | C14 | C21 | C19 | 179.9° | 180.0° |
| N1 | C14 | C21 | C20 | 0.1° | 0.0° |
| C14 | N1 | C13 | H13 | 26.9° | 60.1° |
| C14 | N1 | C13 | H13A | 93.1° | 59.9° |
| N1 | C14 | C15 | H15 | 0.1° | 0.1° |
| O1 | C2 | C3 | C7 | 179.7° | 179.7° |
| O1 | C2 | C3 | C4 | 179.9° | 180.0° |
| O1 | C2 | C7 | C6 | 179.6° | 179.7° |
| O1 | C2 | C7 | C8 | 0.2° | 0.0° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H1A | 60.0° | 60.0° |
| C2 | O1 | C1 | H1B | 60.0° | 60.0° |
| O1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.6° |
| C3 | C2 | C7 | C8 | 179.5° | 179.7° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 0.2° | 0.3° |
| C2 | C7 | C6 | C5 | 0.3° | 0.6° |
| C2 | C7 | C6 | C8 | 179.4° | 179.7° |
| C2 | C7 | C8 | C9 | 9.2° | 52.8° |
| C2 | C7 | C8 | C10 | 123.5° | 67.3° |
| C2 | C7 | C8 | C11 | 120.4° | 172.7° |
| C7 | C2 | C3 | H3 | 179.8° | 179.7° |
| C2 | C7 | C6 | H6 | 179.7° | 179.7° |
| F2 | C34 | C12 | O2 | 12.0° | 59.7° |
| F2 | C34 | F3 | F4 | 113.5° | 120.0° |
| F2 | C34 | F3 | C12 | 121.2° | 120.0° |
| F2 | C34 | F4 | C12 | 120.8° | 120.1° |
| F2 | C34 | C12 | C11 | 96.3° | 179.8° |
| F2 | C34 | C12 | C13 | 124.2° | 60.3° |
| N3 | N2 | C19 | C22 | 165.3° | 179.8° |
| N3 | N2 | C19 | C18 | 179.7° | 180.0° |
| N3 | N2 | C19 | C21 | 0.7° | 0.0° |
| N2 | N3 | C20 | C21 | 0.7° | 0.1° |
| N3 | N2 | C22 | C23 | 97.2° | 145.0° |
| N3 | N2 | C22 | C27 | 83.2° | 35.3° |
| N2 | N3 | C20 | H20 | 179.3° | 180.0° |
| C19 | N2 | N3 | C20 | 0.8° | 0.0° |
| N2 | C19 | C21 | C14 | 179.8° | 180.0° |
| N2 | C19 | C18 | C16 | 179.9° | 180.0° |
| N2 | C19 | C18 | C21 | 179.6° | 180.0° |
| N2 | C19 | C21 | C20 | 0.2° | 0.0° |
| C19 | N2 | C22 | C23 | 98.4° | 35.2° |
| C19 | N2 | C22 | C27 | 81.2° | 144.5° |
| N2 | C19 | C18 | H18 | 0.1° | 0.1° |
| C22 | N2 | N3 | C20 | 166.8° | 179.7° |
| C22 | N2 | C19 | C18 | 14.4° | 0.2° |
| C22 | N2 | C19 | C21 | 166.0° | 179.8° |
| N2 | C22 | C23 | C27 | 179.6° | 179.7° |
| N2 | C22 | C23 | C24 | 179.5° | 180.0° |
| N2 | C22 | C27 | C26 | 179.5° | 179.7° |
| N2 | C22 | C23 | H23 | 0.5° | 0.0° |
| N2 | C22 | C27 | H27 | 0.5° | 0.0° |
| O2 | C12 | C34 | F3 | 106.5° | 60.2° |
| O2 | C12 | C34 | F4 | 129.9° | 179.8° |
| O2 | C12 | C11 | C8 | 172.3° | 54.8° |
| O2 | C12 | C11 | C13 | 114.0° | 120.0° |
| O2 | C12 | C11 | C34 | 107.4° | 120.0° |
| O2 | C12 | C13 | C34 | 108.3° | 120.0° |
| O2 | C12 | C11 | H11 | 67.7° | 65.2° |
| O2 | C12 | C11 | H11A | 52.3° | 174.8° |
| O2 | C12 | C13 | H13 | 149.3° | 180.0° |
| O2 | C12 | C13 | H13A | 90.7° | 60.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| F3 | C34 | F4 | C12 | 125.7° | 120.0° |
| F3 | C34 | C12 | C11 | 145.3° | 59.8° |
| F3 | C34 | C12 | C13 | 5.7° | 179.8° |
| N3 | C20 | C21 | C14 | 179.7° | 180.0° |
| N3 | C20 | C21 | C19 | 0.3° | 0.1° |
| N3 | C20 | C21 | H20 | 180.0° | 179.9° |
| O3 | C28 | N4 | C26 | 179.8° | 179.9° |
| O3 | C28 | N4 | C29 | 53.1° | 173.5° |
| O3 | C28 | N4 | C32 | 68.9° | 6.8° |
| O3 | C28 | C26 | C25 | 177.5° | 7.0° |
| O3 | C28 | C26 | C27 | 2.4° | 172.7° |
| C4 | C5 | C6 | C7 | 0.3° | 0.3° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| F4 | C34 | C12 | C11 | 21.7° | 60.2° |
| F4 | C34 | C12 | C13 | 117.9° | 59.8° |
| C28 | N4 | C29 | C32 | 126.7° | 179.8° |
| N4 | C28 | C26 | C25 | 2.3° | 172.9° |
| N4 | C28 | C26 | C27 | 177.8° | 7.4° |
| C28 | N4 | C29 | C30 | 97.3° | 179.0° |
| C28 | N4 | C32 | C31 | 100.5° | 155.8° |
| C28 | N4 | C32 | C33 | 142.7° | 37.1° |
| C28 | N4 | C29 | H29 | 142.7° | 59.5° |
| C28 | N4 | C29 | H29A | 22.7° | 61.7° |
| C28 | N4 | C32 | H32 | 19.3° | 85.2° |
| C29 | N4 | C28 | C26 | 127.1° | 6.6° |
| N4 | C29 | C30 | H29 | 120.0° | 119.5° |
| N4 | C29 | C30 | H29A | 120.0° | 119.4° |
| N4 | C29 | C30 | C31 | 21.8° | 22.2° |
| C29 | N4 | C32 | C31 | 25.8° | 24.5° |
| C29 | N4 | C32 | C33 | 91.1° | 143.2° |
| N4 | C29 | H29 | H29A | 120.9° | 121.2° |
| N4 | C29 | C30 | H30 | 141.8° | 140.6° |
| N4 | C29 | C30 | H30A | 98.2° | 96.2° |
| C29 | N4 | C32 | H32 | 145.6° | 94.5° |
| N4 | C32 | C33 | O4 | 33.0° | 21.7° |
| N4 | C32 | C33 | N5 | 147.0° | 158.3° |
| C32 | N4 | C28 | C26 | 111.0° | 173.1° |
| C32 | N4 | C29 | C30 | 29.4° | 1.3° |
| N4 | C32 | C31 | C30 | 11.9° | 37.3° |
| N4 | C32 | C31 | C33 | 109.4° | 118.7° |
| N4 | C32 | C31 | H32 | 126.0° | 118.9° |
| N4 | C32 | C33 | H32 | 125.0° | 122.3° |
| C32 | N4 | C29 | H29 | 90.6° | 120.7° |
| C32 | N4 | C29 | H29A | 149.5° | 118.1° |
| N4 | C32 | C31 | H31 | 131.9° | 80.8° |
| N4 | C32 | C31 | H31A | 108.1° | 155.3° |
| O4 | C33 | N5 | C32 | 180.0° | 180.0° |
| O4 | C33 | C32 | C31 | 147.9° | 93.6° |
| O4 | C33 | N5 | HN5 | 0.0° | 0.1° |
| O4 | C33 | N5 | HN5A | 180.0° | 179.9° |
| O4 | C33 | C32 | H32 | 92.0° | 144.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| N5 | C33 | C32 | C31 | 32.1° | 86.4° |
| C33 | N5 | HN5 | HN5A | 180.0° | 179.9° |
| N5 | C33 | C32 | H32 | 88.0° | 36.1° |
| C6 | C7 | C8 | C9 | 170.2° | 127.5° |
| C6 | C7 | C8 | C10 | 55.9° | 112.4° |
| C6 | C7 | C8 | C11 | 60.2° | 7.6° |
| C7 | C8 | C9 | C10 | 115.5° | 120.0° |
| C7 | C8 | C9 | C11 | 131.4° | 119.9° |
| C7 | C8 | C10 | C11 | 122.4° | 120.0° |
| C7 | C8 | C11 | C12 | 62.5° | 88.9° |
| C8 | C7 | C6 | H6 | 0.2° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 68.9° |
| C7 | C8 | C9 | H9A | 60.0° | 171.2° |
| C7 | C8 | C9 | H9B | 60.0° | 51.2° |
| C7 | C8 | C10 | H10 | 180.0° | 55.0° |
| C7 | C8 | C10 | H10A | 60.0° | 175.0° |
| C7 | C8 | C10 | H10B | 60.0° | 64.9° |
| C7 | C8 | C11 | H11 | 177.5° | 151.2° |
| C7 | C8 | C11 | H11A | 57.5° | 31.3° |
| C9 | C8 | C10 | C11 | 117.4° | 120.0° |
| C9 | C8 | C11 | C12 | 68.1° | 31.1° |
| C8 | C9 | H9 | H9A | 120.0° | 119.9° |
| C8 | C9 | H9 | H9B | 120.0° | 120.1° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | C8 | C10 | H10 | 59.8° | 175.0° |
| C9 | C8 | C10 | H10A | 60.2° | 65.0° |
| C9 | C8 | C10 | H10B | 179.8° | 55.1° |
| C9 | C8 | C11 | H11 | 51.9° | 88.9° |
| C9 | C8 | C11 | H11A | 171.9° | 151.2° |
| C10 | C8 | C11 | C12 | 179.3° | 151.2° |
| C10 | C8 | C9 | H9 | 64.5° | 51.1° |
| C10 | C8 | C9 | H9A | 175.5° | 68.8° |
| C10 | C8 | C9 | H9B | 55.5° | 171.2° |
| C8 | C10 | H10 | H10A | 120.0° | 120.0° |
| C8 | C10 | H10 | H10B | 120.0° | 119.9° |
| C8 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C8 | C11 | H11 | 60.7° | 31.2° |
| C10 | C8 | C11 | H11A | 59.3° | 88.7° |
| C8 | C11 | C12 | H11 | 120.0° | 119.9° |
| C8 | C11 | C12 | H11A | 120.0° | 120.1° |
| C8 | C11 | C12 | C13 | 58.3° | 174.8° |
| C8 | C11 | C12 | C34 | 80.3° | 65.3° |
| C11 | C8 | C9 | H9 | 48.6° | 171.2° |
| C11 | C8 | C9 | H9A | 71.4° | 51.3° |
| C11 | C8 | C9 | H9B | 168.6° | 68.7° |
| C11 | C8 | C10 | H10 | 57.6° | 64.9° |
| C11 | C8 | C10 | H10A | 177.6° | 55.0° |
| C11 | C8 | C10 | H10B | 62.4° | 175.1° |
| C8 | C11 | H11 | H11A | 115.2° | 120.0° |
| C11 | C12 | C13 | C34 | 140.5° | 120.0° |
| C11 | C12 | O2 | HO2 | 180.0° | 60.0° |
| C12 | C11 | H11 | H11A | 115.2° | 120.1° |
| C11 | C12 | C13 | H13 | 99.5° | 60.0° |
| C11 | C12 | C13 | H13A | 20.5° | 60.0° |
| C12 | C13 | N1 | HN1 | 26.9° | 0.1° |
| C13 | C12 | O2 | HO2 | 58.9° | 60.0° |
| C13 | C12 | C11 | H11 | 178.3° | 54.8° |
| C13 | C12 | C11 | H11A | 61.7° | 65.2° |
| C12 | C13 | H13 | H13A | 121.2° | 120.1° |
| C34 | C12 | O2 | HO2 | 58.8° | 180.0° |
| C34 | C12 | C11 | H11 | 39.7° | 174.8° |
| C34 | C12 | C11 | H11A | 159.7° | 54.8° |
| C34 | C12 | C13 | H13 | 41.1° | 59.9° |
| C34 | C12 | C13 | H13A | 161.1° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | C18 | 0.1° | 0.0° |
| C15 | C14 | C21 | C19 | 0.1° | 0.0° |
| C15 | C14 | C21 | C20 | 179.9° | 179.9° |
| C15 | C14 | N1 | HN1 | 112.2° | 180.0° |
| C21 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C21 | C19 | C18 | 0.1° | 0.0° |
| C14 | C21 | C19 | C20 | 180.0° | 180.0° |
| C21 | C14 | N1 | HN1 | 67.8° | 0.1° |
| C21 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C21 | C20 | H20 | 0.3° | 0.1° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C15 | C16 | C18 | C19 | 0.3° | 0.0° |
| C15 | C16 | C17 | H17 | 90.1° | 90.0° |
| C15 | C16 | C17 | H17A | 150.0° | 150.0° |
| C15 | C16 | C17 | H17B | 29.9° | 30.0° |
| C15 | C16 | C18 | H18 | 179.7° | 179.9° |
| C17 | C16 | C18 | C19 | 179.8° | 180.0° |
| C17 | C16 | C15 | H15 | 0.0° | 0.0° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.0° |
| C16 | C17 | H17A | H17B | 120.0° | 120.0° |
| C17 | C16 | C18 | H18 | 0.2° | 0.1° |
| C16 | C18 | C19 | H18 | 180.0° | 179.9° |
| C16 | C18 | C19 | C21 | 0.3° | 0.0° |
| C18 | C16 | C15 | H15 | 179.9° | 180.0° |
| C18 | C16 | C17 | H17 | 90.0° | 90.0° |
| C18 | C16 | C17 | H17A | 29.9° | 30.0° |
| C18 | C16 | C17 | H17B | 149.9° | 150.0° |
| C18 | C19 | C21 | C20 | 179.9° | 180.0° |
| C21 | C19 | C18 | H18 | 179.7° | 179.9° |
| C19 | C21 | C20 | H20 | 179.7° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C27 | C26 | 0.2° | 0.6° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C22 | C27 | H27 | 179.8° | 179.7° |
| C27 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C27 | C26 | C25 | 0.1° | 0.6° |
| C22 | C27 | C26 | H27 | 180.0° | 179.7° |
| C22 | C27 | C26 | C28 | 180.0° | 179.7° |
| C27 | C22 | C23 | H23 | 179.9° | 179.8° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 0.0° | 0.4° |
| C24 | C25 | C26 | C28 | 179.9° | 180.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 179.9° | 179.7° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| C25 | C26 | C27 | H27 | 179.9° | 179.6° |
| C27 | C26 | C25 | H25 | 180.0° | 179.8° |
| C28 | C26 | C25 | H25 | 0.1° | 0.1° |
| C28 | C26 | C27 | H27 | 0.0° | 0.0° |
| C29 | C30 | C31 | H30 | 120.0° | 118.4° |
| C29 | C30 | C31 | H30A | 120.0° | 118.4° |
| C29 | C30 | C31 | C32 | 5.9° | 35.7° |
| C30 | C29 | H29 | H29A | 120.9° | 121.0° |
| C29 | C30 | H30 | H30A | 121.8° | 123.2° |
| C29 | C30 | C31 | H31 | 114.1° | 82.5° |
| C29 | C30 | C31 | H31A | 125.9° | 153.5° |
| C30 | C31 | C32 | H31 | 120.0° | 118.1° |
| C30 | C31 | C32 | H31A | 120.0° | 118.0° |
| C30 | C31 | C32 | C33 | 97.5° | 156.0° |
| C31 | C30 | C29 | H29 | 98.3° | 97.2° |
| C31 | C30 | C29 | H29A | 141.8° | 141.6° |
| C31 | C30 | H30 | H30A | 121.8° | 123.2° |
| C30 | C31 | H31 | H31A | 121.9° | 124.0° |
| C30 | C31 | C32 | H32 | 137.9° | 81.6° |
| C31 | C32 | C33 | H32 | 120.1° | 122.5° |
| C32 | C31 | C30 | H30 | 125.9° | 154.1° |
| C32 | C31 | C30 | H30A | 114.1° | 82.7° |
| C32 | C31 | H31 | H31A | 121.9° | 123.9° |
| C32 | C33 | N5 | HN5 | 180.0° | 180.0° |
| C32 | C33 | N5 | HN5A | 0.0° | 0.1° |
| C33 | C32 | C31 | H31 | 22.5° | 37.9° |
| C33 | C32 | C31 | H31A | 142.5° | 86.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| HN1 | N1 | C13 | H13 | 93.1° | 120.0° |
| HN1 | N1 | C13 | H13A | 146.9° | 120.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
| H29 | C29 | C30 | H30 | 21.7° | 21.1° |
| H29 | C29 | C30 | H30A | 141.7° | 144.3° |
| H29A | C29 | C30 | H30 | 98.2° | 100.0° |
| H29A | C29 | C30 | H30A | 21.8° | 23.2° |
| H30 | C30 | C31 | H31 | 5.9° | 35.9° |
| H30 | C30 | C31 | H31A | 114.1° | 88.1° |
| H30A | C30 | C31 | H31 | 125.9° | 159.0° |
| H30A | C30 | C31 | H31A | 5.9° | 35.1° |
| H31 | C31 | C32 | H32 | 102.1° | 160.3° |
| H31A | C31 | C32 | H32 | 17.9° | 36.4° |
