HUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C18 | sing | 1.35Å | 1.34Å | |
| N4 | C17 | sing | 1.47Å | 1.51Å | |
| O5 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | C15 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| O4 | C19 | doub | 1.21Å | 1.24Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C19 | C13 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.47Å | 1.35Å | |
| C13 | N3 | sing | 1.47Å | 1.47Å | |
| C20 | N5 | doub | 1.29Å | 1.34Å | Aromatic |
| C20 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| N5 | C21 | sing | 1.33Å | 1.36Å | Aromatic |
| N3 | C12 | sing | 1.35Å | 1.35Å | |
| O3 | C12 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | doub | 1.42Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.35Å | Aromatic |
| S1 | C22 | sing | 1.76Å | 1.70Å | Aromatic |
| O2 | C10 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.36Å | 1.40Å | Aromatic |
| C22 | C26 | doub | 1.39Å | 1.33Å | Aromatic |
| N1 | C7 | sing | 1.38Å | 1.33Å | Aromatic |
| N1 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C10 | C7 | sing | 1.47Å | 1.36Å | |
| C10 | N2 | sing | 1.35Å | 1.35Å | |
| C11 | N2 | sing | 1.46Å | 1.48Å | |
| C11 | C27 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.34Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.41Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.35Å | Aromatic |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C9 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N4 | C17 | 107.3° | 111.3° |
| N4 | C18 | O5 | 124.1° | 125.1° |
| N4 | C18 | C15 | 112.0° | 110.0° |
| C18 | N4 | H33 | 126.3° | 124.4° |
| N4 | C17 | C16 | 103.7° | 105.5° |
| N4 | C17 | H9 | 110.9° | 110.2° |
| N4 | C17 | H10 | 110.9° | 110.3° |
| C17 | N4 | H33 | 126.3° | 124.3° |
| O5 | C18 | C15 | 123.9° | 124.9° |
| C18 | C15 | C16 | 100.0° | 104.3° |
| C18 | C15 | C14 | 111.2° | 110.5° |
| C18 | C15 | H6 | 111.4° | 110.5° |
| C17 | C16 | C15 | 101.3° | 101.8° |
| C17 | C16 | H7 | 111.5° | 111.0° |
| C17 | C16 | H8 | 111.5° | 111.0° |
| C16 | C17 | H9 | 110.9° | 110.3° |
| C16 | C17 | H10 | 110.9° | 110.3° |
| C16 | C15 | C14 | 111.2° | 110.5° |
| C16 | C15 | H6 | 111.4° | 110.5° |
| C15 | C16 | H7 | 111.5° | 111.0° |
| C15 | C16 | H8 | 111.5° | 110.9° |
| C15 | C14 | C13 | 108.5° | 109.5° |
| C15 | C14 | H4 | 109.7° | 109.5° |
| C15 | C14 | H5 | 109.7° | 109.5° |
| C14 | C15 | H6 | 111.3° | 110.5° |
| O4 | C19 | C13 | 117.0° | 120.0° |
| O4 | C19 | C20 | 117.9° | 120.0° |
| C14 | C13 | C19 | 113.1° | 109.5° |
| C14 | C13 | N3 | 112.6° | 109.5° |
| C14 | C13 | H3 | 105.8° | 109.5° |
| C13 | C14 | H4 | 109.7° | 109.5° |
| C13 | C14 | H5 | 109.7° | 109.5° |
| C13 | C19 | C20 | 112.9° | 120.0° |
| C19 | C13 | N3 | 112.1° | 109.4° |
| C19 | C13 | H3 | 105.9° | 109.4° |
| C19 | C20 | N5 | 119.1° | 124.9° |
| C19 | C20 | S1 | 133.7° | 124.9° |
| C13 | N3 | C12 | 122.2° | 120.0° |
| N3 | C13 | H3 | 106.7° | 109.5° |
| C13 | N3 | H32 | 118.9° | 120.0° |
| N5 | C20 | S1 | 107.1° | 110.3° |
| C20 | N5 | C21 | 116.5° | 118.3° |
| C20 | S1 | C22 | 94.9° | 90.3° |
| N5 | C21 | C23 | 127.6° | 128.9° |
| N5 | C21 | C22 | 113.6° | 112.9° |
| N3 | C12 | O3 | 124.9° | 120.0° |
| N3 | C12 | C11 | 114.3° | 120.0° |
| C12 | N3 | H32 | 118.9° | 120.1° |
| O3 | C12 | C11 | 120.8° | 120.0° |
| C12 | C11 | N2 | 112.2° | 109.5° |
| C12 | C11 | C27 | 108.8° | 109.4° |
| C12 | C11 | H2 | 108.0° | 109.5° |
| C23 | C21 | C22 | 118.7° | 118.2° |
| C21 | C23 | C24 | 121.4° | 120.5° |
| C21 | C23 | H12 | 119.3° | 119.7° |
| C21 | C22 | S1 | 107.8° | 108.3° |
| C21 | C22 | C26 | 122.7° | 120.3° |
| S1 | C22 | C26 | 129.5° | 131.4° |
| O2 | C10 | C7 | 119.5° | 120.0° |
| O2 | C10 | N2 | 120.5° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.9° |
| C24 | C23 | H12 | 119.3° | 119.8° |
| C23 | C24 | H13 | 120.7° | 119.5° |
| C22 | C26 | C25 | 120.1° | 120.0° |
| C22 | C26 | H15 | 119.9° | 120.0° |
| C7 | N1 | C4 | 108.4° | 108.7° |
| N1 | C7 | C10 | 122.0° | 125.4° |
| N1 | C7 | C8 | 108.0° | 109.1° |
| C7 | N1 | H30 | 125.8° | 125.6° |
| N1 | C4 | C3 | 131.1° | 133.1° |
| N1 | C4 | C5 | 108.1° | 107.4° |
| C4 | N1 | H30 | 125.8° | 125.7° |
| C7 | C10 | N2 | 119.9° | 120.0° |
| C10 | C7 | C8 | 130.0° | 125.5° |
| C10 | N2 | C11 | 121.6° | 120.0° |
| C10 | N2 | H31 | 119.2° | 120.0° |
| N2 | C11 | C27 | 111.3° | 109.5° |
| N2 | C11 | H2 | 108.6° | 109.5° |
| C11 | N2 | H31 | 119.2° | 120.0° |
| C11 | C27 | C28 | 109.9° | 109.5° |
| C27 | C11 | H2 | 107.8° | 109.5° |
| C11 | C27 | H16 | 109.4° | 109.4° |
| C11 | C27 | H17 | 109.4° | 109.5° |
| C24 | C25 | C26 | 118.3° | 120.1° |
| C25 | C24 | H13 | 120.6° | 119.6° |
| C24 | C25 | H14 | 120.9° | 120.0° |
| C7 | C8 | C5 | 107.7° | 107.8° |
| C7 | C8 | H26 | 126.1° | 126.1° |
| C4 | C3 | C2 | 122.1° | 120.1° |
| C3 | C4 | C5 | 120.8° | 119.6° |
| C4 | C3 | H22 | 119.0° | 119.9° |
| C3 | C2 | C1 | 117.6° | 120.8° |
| C3 | C2 | H11 | 121.2° | 119.6° |
| C2 | C3 | H22 | 119.0° | 120.0° |
| C26 | C25 | H14 | 120.8° | 119.9° |
| C25 | C26 | H15 | 119.9° | 120.0° |
| C4 | C5 | C8 | 107.7° | 107.0° |
| C4 | C5 | C6 | 119.3° | 119.6° |
| C27 | C28 | C30 | 110.7° | 109.5° |
| C27 | C28 | C29 | 109.4° | 109.5° |
| C28 | C27 | H16 | 109.3° | 109.4° |
| C28 | C27 | H17 | 109.3° | 109.4° |
| C27 | C28 | H18 | 109.6° | 109.5° |
| C2 | C1 | C6 | 118.3° | 120.4° |
| C2 | C1 | H1 | 120.8° | 119.9° |
| C1 | C2 | H11 | 121.2° | 119.6° |
| C8 | C5 | C6 | 133.0° | 133.3° |
| C5 | C8 | H26 | 126.2° | 126.1° |
| C5 | C6 | C1 | 121.9° | 119.6° |
| C5 | C6 | O1 | 116.4° | 120.2° |
| C30 | C28 | C29 | 107.8° | 109.5° |
| C30 | C28 | H18 | 109.7° | 109.5° |
| C28 | C30 | H23 | 109.5° | 109.5° |
| C28 | C30 | H24 | 109.5° | 109.5° |
| C28 | C30 | H25 | 109.5° | 109.5° |
| C29 | C28 | H18 | 109.6° | 109.4° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.5° |
| C28 | C29 | H21 | 109.5° | 109.5° |
| C1 | C6 | O1 | 121.7° | 120.2° |
| C6 | C1 | H1 | 120.8° | 119.8° |
| C6 | O1 | C9 | 114.9° | 117.0° |
| O1 | C9 | H27 | 109.5° | 109.4° |
| O1 | C9 | H28 | 109.5° | 109.5° |
| O1 | C9 | H29 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.4° | 109.5° |
| H7 | C16 | H8 | 109.4° | 110.8° |
| H9 | C17 | H10 | 109.5° | 110.2° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H21 | 109.4° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.4° | 109.5° |
| H23 | C30 | H25 | 109.5° | 109.4° |
| H24 | C30 | H25 | 109.5° | 109.4° |
| H27 | C9 | H28 | 109.5° | 109.4° |
| H27 | C9 | H29 | 109.5° | 109.5° |
| H28 | C9 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N4 | C17 | H33 | 180.0° | 179.8° |
| N4 | C18 | O5 | C15 | 179.3° | 179.9° |
| C18 | N4 | C17 | C16 | 25.1° | 17.2° |
| N4 | C18 | C15 | C16 | 22.6° | 16.1° |
| N4 | C18 | C15 | C14 | 140.1° | 134.8° |
| N4 | C18 | C15 | H6 | 95.2° | 102.6° |
| C18 | N4 | C17 | H9 | 93.9° | 136.2° |
| C18 | N4 | C17 | H10 | 144.2° | 101.9° |
| C17 | N4 | C18 | O5 | 178.1° | 179.5° |
| C17 | N4 | C18 | C15 | 1.3° | 0.6° |
| N4 | C17 | C16 | H9 | 119.1° | 119.0° |
| N4 | C17 | C16 | H10 | 119.0° | 119.1° |
| N4 | C17 | C16 | C15 | 38.1° | 25.4° |
| N4 | C17 | C16 | H7 | 156.8° | 92.7° |
| N4 | C17 | C16 | H8 | 80.5° | 143.6° |
| N4 | C17 | H9 | H10 | 122.7° | 122.0° |
| O5 | C18 | C15 | C16 | 158.0° | 163.8° |
| O5 | C18 | C15 | C14 | 40.5° | 45.1° |
| O5 | C18 | C15 | H6 | 84.2° | 77.5° |
| O5 | C18 | N4 | H33 | 1.9° | 0.3° |
| C18 | C15 | C16 | C17 | 35.7° | 24.7° |
| C18 | C15 | C16 | C14 | 117.5° | 118.8° |
| C18 | C15 | C16 | H6 | 117.8° | 118.7° |
| C18 | C15 | C14 | H6 | 124.8° | 122.6° |
| C18 | C15 | C14 | C13 | 179.8° | 72.0° |
| C18 | C15 | C14 | H4 | 59.9° | 48.0° |
| C18 | C15 | C14 | H5 | 60.4° | 168.0° |
| C18 | C15 | C16 | H7 | 154.4° | 93.4° |
| C18 | C15 | C16 | H8 | 82.9° | 142.9° |
| C15 | C18 | N4 | H33 | 178.7° | 179.6° |
| C17 | C16 | C15 | H7 | 118.7° | 118.2° |
| C17 | C16 | C15 | H8 | 118.7° | 118.2° |
| C17 | C16 | C15 | C14 | 153.2° | 143.5° |
| C17 | C16 | C15 | H6 | 82.0° | 94.0° |
| C17 | C16 | H7 | H8 | 123.8° | 123.9° |
| C16 | C17 | H9 | H10 | 122.7° | 122.0° |
| C16 | C17 | N4 | H33 | 154.8° | 163.0° |
| C16 | C15 | C14 | H6 | 124.8° | 122.6° |
| C16 | C15 | C14 | C13 | 69.3° | 173.1° |
| C16 | C15 | C14 | H4 | 50.6° | 66.9° |
| C16 | C15 | C14 | H5 | 170.8° | 53.1° |
| C15 | C16 | H7 | H8 | 123.8° | 123.7° |
| C15 | C16 | C17 | H9 | 80.9° | 144.4° |
| C15 | C16 | C17 | H10 | 157.2° | 93.7° |
| C15 | C14 | C13 | H4 | 119.9° | 120.0° |
| C15 | C14 | C13 | H5 | 119.9° | 120.0° |
| C15 | C14 | C13 | C19 | 158.5° | 66.6° |
| C15 | C14 | C13 | N3 | 73.1° | 173.4° |
| C15 | C14 | C13 | H3 | 43.0° | 53.4° |
| C15 | C14 | H4 | H5 | 120.4° | 120.0° |
| C14 | C15 | C16 | H7 | 88.1° | 25.3° |
| C14 | C15 | C16 | H8 | 34.6° | 98.3° |
| O4 | C19 | C13 | C14 | 42.6° | 91.1° |
| O4 | C19 | C13 | C20 | 141.8° | 180.0° |
| O4 | C19 | C13 | N3 | 171.2° | 28.9° |
| O4 | C19 | C20 | N5 | 61.7° | 6.1° |
| O4 | C19 | C20 | S1 | 118.3° | 173.5° |
| O4 | C19 | C13 | H3 | 72.8° | 149.0° |
| C14 | C13 | C19 | N3 | 128.7° | 120.0° |
| C14 | C13 | C19 | H3 | 115.4° | 120.0° |
| C14 | C13 | C19 | C20 | 175.7° | 88.9° |
| C14 | C13 | N3 | H3 | 115.6° | 120.0° |
| C14 | C13 | N3 | C12 | 116.3° | 89.2° |
| C13 | C14 | H4 | H5 | 120.4° | 120.0° |
| C13 | C14 | C15 | H6 | 55.5° | 50.6° |
| C14 | C13 | N3 | H32 | 63.7° | 90.8° |
| C19 | C13 | N3 | H3 | 115.5° | 120.0° |
| C13 | C19 | C20 | N5 | 79.7° | 173.8° |
| C13 | C19 | C20 | S1 | 100.3° | 6.5° |
| C19 | C13 | N3 | C12 | 114.8° | 150.8° |
| C19 | C13 | C14 | H4 | 38.6° | 173.4° |
| C19 | C13 | C14 | H5 | 81.6° | 53.4° |
| C19 | C13 | N3 | H32 | 65.2° | 29.2° |
| C20 | C19 | C13 | N3 | 47.0° | 151.1° |
| C19 | C20 | N5 | S1 | 180.0° | 179.7° |
| C19 | C20 | N5 | C21 | 180.0° | 180.0° |
| C19 | C20 | S1 | C22 | 179.8° | 180.0° |
| C20 | C19 | C13 | H3 | 68.9° | 31.1° |
| C13 | N3 | C12 | H32 | 180.0° | 180.0° |
| C13 | N3 | C12 | O3 | 0.8° | 5.0° |
| C13 | N3 | C12 | C11 | 177.7° | 175.0° |
| N3 | C13 | C14 | H4 | 167.0° | 53.5° |
| N3 | C13 | C14 | H5 | 46.8° | 66.5° |
| C20 | N5 | C21 | C23 | 179.6° | 179.8° |
| C20 | N5 | C21 | C22 | 0.3° | 0.1° |
| N5 | C20 | S1 | C22 | 0.2° | 0.2° |
| S1 | C20 | N5 | C21 | 0.0° | 0.3° |
| C20 | S1 | C22 | C21 | 0.4° | 0.2° |
| C20 | S1 | C22 | C26 | 179.7° | 179.8° |
| N5 | C21 | C23 | C22 | 179.9° | 180.0° |
| N5 | C21 | C22 | S1 | 0.5° | 0.0° |
| N5 | C21 | C23 | C24 | 179.9° | 179.9° |
| N5 | C21 | C22 | C26 | 179.6° | 179.9° |
| N5 | C21 | C23 | H12 | 0.1° | 0.0° |
| N3 | C12 | O3 | C11 | 178.5° | 179.9° |
| N3 | C12 | C11 | N2 | 143.1° | 160.7° |
| N3 | C12 | C11 | C27 | 93.2° | 79.2° |
| N3 | C12 | C11 | H2 | 23.5° | 40.8° |
| C12 | N3 | C13 | H3 | 0.7° | 30.8° |
| O3 | C12 | C11 | N2 | 38.2° | 19.2° |
| O3 | C12 | C11 | C27 | 85.4° | 100.8° |
| O3 | C12 | C11 | H2 | 157.8° | 139.2° |
| O3 | C12 | N3 | H32 | 179.1° | 175.0° |
| C12 | C11 | N2 | C10 | 71.6° | 150.7° |
| C12 | C11 | N2 | C27 | 122.2° | 120.0° |
| C12 | C11 | N2 | H2 | 119.2° | 120.0° |
| C12 | C11 | C27 | H2 | 116.9° | 120.0° |
| C12 | C11 | C27 | C28 | 170.2° | 65.5° |
| C12 | C11 | C27 | H16 | 69.7° | 174.6° |
| C12 | C11 | C27 | H17 | 50.2° | 54.5° |
| C12 | C11 | N2 | H31 | 108.4° | 29.3° |
| C11 | C12 | N3 | H32 | 2.3° | 5.1° |
| C23 | C21 | C22 | S1 | 179.5° | 180.0° |
| C21 | C23 | C24 | H12 | 180.0° | 179.9° |
| C23 | C21 | C22 | C26 | 0.5° | 0.0° |
| C21 | C23 | C24 | C25 | 0.4° | 0.0° |
| C21 | C23 | C24 | H13 | 179.6° | 179.9° |
| C21 | C22 | S1 | C26 | 179.9° | 180.0° |
| C22 | C21 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C26 | C25 | 0.6° | 0.0° |
| C22 | C21 | C23 | H12 | 180.0° | 180.0° |
| C21 | C22 | C26 | H15 | 179.4° | 180.0° |
| S1 | C22 | C26 | C25 | 179.3° | 179.9° |
| S1 | C22 | C26 | H15 | 0.7° | 0.0° |
| O2 | C10 | C7 | N1 | 0.2° | 180.0° |
| O2 | C10 | C7 | N2 | 177.5° | 180.0° |
| O2 | C10 | N2 | C11 | 3.4° | 5.0° |
| O2 | C10 | C7 | C8 | 179.6° | 0.1° |
| O2 | C10 | N2 | H31 | 176.6° | 175.0° |
| C23 | C24 | C25 | H13 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H14 | 179.8° | 180.0° |
| C22 | C26 | C25 | C24 | 0.3° | 0.1° |
| C22 | C26 | C25 | H15 | 180.0° | 179.9° |
| C22 | C26 | C25 | H14 | 179.7° | 180.0° |
| C7 | N1 | C4 | H30 | 180.0° | 180.0° |
| N1 | C7 | C10 | C8 | 179.4° | 180.0° |
| N1 | C7 | C10 | N2 | 177.3° | 0.0° |
| C7 | N1 | C4 | C3 | 179.7° | 180.0° |
| C7 | N1 | C4 | C5 | 0.1° | 0.0° |
| N1 | C7 | C8 | C5 | 0.4° | 0.0° |
| N1 | C7 | C8 | H26 | 179.6° | 179.9° |
| C4 | N1 | C7 | C10 | 179.8° | 180.0° |
| C4 | N1 | C7 | C8 | 0.2° | 0.0° |
| N1 | C4 | C3 | C5 | 179.6° | 180.0° |
| N1 | C4 | C3 | C2 | 180.0° | 180.0° |
| N1 | C4 | C5 | C8 | 0.3° | 0.0° |
| N1 | C4 | C5 | C6 | 179.7° | 180.0° |
| N1 | C4 | C3 | H22 | 0.0° | 0.0° |
| C7 | C10 | N2 | C11 | 179.2° | 175.0° |
| C10 | C7 | C8 | C5 | 179.9° | 180.0° |
| C10 | C7 | C8 | H26 | 0.1° | 0.0° |
| C10 | C7 | N1 | H30 | 0.2° | 0.0° |
| C7 | C10 | N2 | H31 | 0.8° | 5.0° |
| C10 | N2 | C11 | H31 | 180.0° | 180.0° |
| C10 | N2 | C11 | C27 | 166.2° | 89.3° |
| N2 | C10 | C7 | C8 | 2.1° | 180.0° |
| C10 | N2 | C11 | H2 | 47.7° | 30.8° |
| N2 | C11 | C27 | H2 | 119.0° | 120.0° |
| N2 | C11 | C27 | C28 | 65.6° | 174.5° |
| N2 | C11 | C27 | H16 | 54.4° | 54.6° |
| N2 | C11 | C27 | H17 | 174.3° | 65.4° |
| C11 | C27 | C28 | H16 | 120.1° | 120.0° |
| C11 | C27 | C28 | H17 | 120.1° | 120.1° |
| C11 | C27 | C28 | C30 | 77.7° | 175.9° |
| C11 | C27 | C28 | C29 | 163.7° | 64.0° |
| C11 | C27 | H16 | H17 | 119.8° | 120.1° |
| C11 | C27 | C28 | H18 | 43.5° | 55.9° |
| C27 | C11 | N2 | H31 | 13.8° | 90.7° |
| C24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | H12 | 179.6° | 179.9° |
| C24 | C25 | C26 | H15 | 179.8° | 180.0° |
| C7 | C8 | C5 | C4 | 0.4° | 0.0° |
| C7 | C8 | C5 | H26 | 180.0° | 180.0° |
| C7 | C8 | C5 | C6 | 179.7° | 180.0° |
| C8 | C7 | N1 | H30 | 179.8° | 180.0° |
| C4 | C3 | C2 | H22 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | C8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C2 | H11 | 179.8° | 180.0° |
| C3 | C4 | N1 | H30 | 0.3° | 0.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C3 | C2 | C1 | H11 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.8° |
| C26 | C25 | C24 | H13 | 179.8° | 180.0° |
| C4 | C5 | C8 | C6 | 179.3° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.1° |
| C4 | C5 | C6 | O1 | 179.6° | 179.7° |
| C5 | C4 | C3 | H22 | 179.6° | 180.0° |
| C4 | C5 | C8 | H26 | 179.6° | 179.9° |
| C5 | C4 | N1 | H30 | 179.9° | 180.0° |
| C27 | C28 | C30 | C29 | 119.6° | 120.0° |
| C27 | C28 | C30 | H18 | 121.1° | 120.0° |
| C27 | C28 | C29 | H18 | 120.3° | 120.0° |
| C28 | C27 | C11 | H2 | 53.4° | 54.5° |
| C28 | C27 | H16 | H17 | 119.8° | 119.9° |
| C27 | C28 | C29 | H19 | 180.0° | 54.8° |
| C27 | C28 | C29 | H20 | 60.0° | 174.7° |
| C27 | C28 | C29 | H21 | 60.0° | 65.2° |
| C27 | C28 | C30 | H23 | 180.0° | 60.0° |
| C27 | C28 | C30 | H24 | 60.0° | 180.0° |
| C27 | C28 | C30 | H25 | 60.0° | 60.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | O1 | 179.8° | 179.7° |
| C1 | C2 | C3 | H22 | 179.8° | 180.0° |
| C8 | C5 | C6 | C1 | 179.9° | 179.9° |
| C8 | C5 | C6 | O1 | 0.4° | 0.3° |
| C5 | C6 | C1 | O1 | 179.7° | 179.6° |
| C5 | C6 | O1 | C9 | 176.6° | 179.7° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C6 | C5 | C8 | H26 | 0.3° | 0.1° |
| C30 | C28 | C29 | H18 | 119.3° | 120.0° |
| C30 | C28 | C27 | H16 | 162.2° | 64.1° |
| C30 | C28 | C27 | H17 | 42.4° | 55.9° |
| C30 | C28 | C29 | H19 | 59.6° | 65.3° |
| C30 | C28 | C29 | H20 | 179.6° | 54.7° |
| C30 | C28 | C29 | H21 | 60.4° | 174.7° |
| C28 | C30 | H23 | H24 | 120.0° | 120.1° |
| C28 | C30 | H23 | H25 | 120.0° | 120.0° |
| C28 | C30 | H24 | H25 | 120.0° | 120.0° |
| C29 | C28 | C27 | H16 | 43.6° | 55.9° |
| C29 | C28 | C27 | H17 | 76.2° | 175.9° |
| C28 | C29 | H19 | H20 | 120.0° | 120.0° |
| C28 | C29 | H19 | H21 | 120.0° | 120.0° |
| C28 | C29 | H20 | H21 | 120.0° | 120.0° |
| C29 | C28 | C30 | H23 | 60.4° | 180.0° |
| C29 | C28 | C30 | H24 | 59.6° | 60.0° |
| C29 | C28 | C30 | H25 | 179.6° | 60.0° |
| C1 | C6 | O1 | C9 | 3.7° | 0.1° |
| C6 | C1 | C2 | H11 | 179.8° | 179.9° |
| O1 | C6 | C1 | H1 | 0.2° | 0.1° |
| C6 | O1 | C9 | H27 | 180.0° | 59.9° |
| C6 | O1 | C9 | H28 | 60.0° | 60.0° |
| C6 | O1 | C9 | H29 | 60.0° | 180.0° |
| O1 | C9 | H27 | H28 | 120.0° | 119.9° |
| O1 | C9 | H27 | H29 | 120.0° | 120.1° |
| O1 | C9 | H28 | H29 | 120.0° | 120.1° |
| H1 | C1 | C2 | H11 | 0.2° | 0.3° |
| H2 | C11 | C27 | H16 | 173.4° | 65.5° |
| H2 | C11 | C27 | H17 | 66.7° | 174.5° |
| H2 | C11 | N2 | H31 | 132.3° | 149.3° |
| H3 | C13 | C14 | H4 | 76.8° | 66.6° |
| H3 | C13 | C14 | H5 | 162.9° | 173.4° |
| H3 | C13 | N3 | H32 | 179.3° | 149.1° |
| H4 | C14 | C15 | H6 | 175.3° | 170.5° |
| H5 | C14 | C15 | H6 | 64.4° | 69.4° |
| H6 | C15 | C16 | H7 | 36.7° | 147.9° |
| H6 | C15 | C16 | H8 | 159.3° | 24.2° |
| H7 | C16 | C17 | H9 | 37.8° | 26.3° |
| H7 | C16 | C17 | H10 | 84.1° | 148.2° |
| H8 | C16 | C17 | H9 | 160.4° | 97.5° |
| H8 | C16 | C17 | H10 | 38.5° | 24.5° |
| H9 | C17 | N4 | H33 | 86.1° | 44.0° |
| H10 | C17 | N4 | H33 | 35.8° | 77.9° |
| H11 | C2 | C3 | H22 | 0.2° | 0.0° |
| H12 | C23 | C24 | H13 | 0.3° | 0.0° |
| H13 | C24 | C25 | H14 | 0.2° | 0.1° |
| H14 | C25 | C26 | H15 | 0.3° | 0.0° |
| H16 | C27 | C28 | H18 | 76.6° | 175.9° |
| H17 | C27 | C28 | H18 | 163.5° | 64.2° |
| H18 | C28 | C29 | H19 | 59.8° | 174.7° |
| H18 | C28 | C29 | H20 | 60.2° | 65.3° |
| H18 | C28 | C29 | H21 | 179.8° | 54.7° |
| H18 | C28 | C30 | H23 | 58.9° | 60.1° |
| H18 | C28 | C30 | H24 | 178.9° | 60.0° |
| H18 | C28 | C30 | H25 | 61.1° | 180.0° |
| H19 | C29 | H20 | H21 | 119.9° | 120.0° |
| H23 | C30 | H24 | H25 | 120.0° | 120.0° |
| H27 | C9 | H28 | H29 | 120.0° | 120.0° |
