4I0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.40Å | |
| F2 | C27 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.55Å | 1.52Å | |
| C1 | C4 | sing | 1.54Å | 1.52Å | |
| C28 | C27 | doub | 1.39Å | 1.36Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C27 | C26 | sing | 1.39Å | 1.37Å | Aromatic |
| C29 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C20 | N6 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.47Å | |
| N7 | C23 | sing | 1.36Å | 1.39Å | |
| N7 | C21 | sing | 1.47Å | 1.31Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | N2 | sing | 1.47Å | 1.46Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| N6 | C21 | sing | 1.47Å | 1.34Å | |
| N6 | C16 | sing | 1.40Å | 1.39Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | doub | 1.36Å | 1.36Å | |
| C21 | S1 | sing | 1.83Å | 1.72Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C16 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C15 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C15 | C11 | doub | 1.35Å | 1.40Å | Aromatic |
| N4 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C11 | sing | 1.40Å | 1.41Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| C17 | N5 | sing | 1.34Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | S1 | sing | 1.78Å | 1.76Å | |
| C22 | C30 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C14 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C30 | N8 | trip | 1.14Å | 1.15Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 108.9° | 110.7° |
| F1 | C1 | C4 | 110.4° | 110.7° |
| F1 | C1 | H1 | 111.5° | 110.6° |
| F2 | C27 | C28 | 118.3° | 119.9° |
| F2 | C27 | C26 | 119.0° | 119.9° |
| C2 | C1 | C4 | 106.5° | 103.0° |
| C1 | C2 | C3 | 106.7° | 101.6° |
| C2 | C1 | H1 | 109.8° | 110.7° |
| C1 | C2 | H3 | 110.1° | 111.0° |
| C1 | C2 | H2 | 110.2° | 111.1° |
| C1 | C4 | N1 | 103.3° | 107.3° |
| C4 | C1 | H1 | 109.6° | 110.9° |
| C1 | C4 | H6 | 111.0° | 109.9° |
| C1 | C4 | H7 | 111.0° | 109.9° |
| C27 | C28 | C29 | 118.5° | 120.1° |
| C28 | C27 | C26 | 122.7° | 120.3° |
| C27 | C28 | H31 | 120.8° | 120.0° |
| C28 | C29 | C24 | 121.2° | 119.9° |
| C29 | C28 | H31 | 120.8° | 119.9° |
| C28 | C29 | H32 | 119.4° | 120.1° |
| C2 | C3 | N1 | 104.7° | 104.8° |
| C3 | C2 | H3 | 110.2° | 111.0° |
| C3 | C2 | H2 | 110.2° | 111.0° |
| C2 | C3 | H4 | 110.7° | 110.4° |
| C2 | C3 | H5 | 110.7° | 110.3° |
| C4 | N1 | C3 | 109.2° | 108.7° |
| C4 | N1 | C5 | 125.6° | 125.7° |
| N1 | C4 | H6 | 111.0° | 110.0° |
| N1 | C4 | H7 | 111.0° | 109.9° |
| C27 | C26 | C25 | 118.6° | 120.2° |
| C27 | C26 | H30 | 120.7° | 119.9° |
| C29 | C24 | C25 | 118.2° | 119.7° |
| C29 | C24 | C23 | 120.7° | 120.1° |
| C24 | C29 | H32 | 119.4° | 120.1° |
| C3 | N1 | C5 | 125.2° | 125.6° |
| N1 | C3 | H4 | 110.6° | 110.4° |
| N1 | C3 | H5 | 110.7° | 110.4° |
| C20 | N6 | C21 | 120.9° | 111.0° |
| C20 | N6 | C16 | 116.8° | 111.0° |
| N6 | C20 | H27 | 109.5° | 109.5° |
| N6 | C20 | H28 | 109.5° | 109.4° |
| N6 | C20 | H26 | 109.5° | 109.5° |
| N1 | C5 | O1 | 121.3° | 120.0° |
| N1 | C5 | C6 | 118.5° | 120.0° |
| C26 | C25 | C24 | 120.8° | 119.9° |
| C26 | C25 | H29 | 119.6° | 120.1° |
| C25 | C26 | H30 | 120.7° | 119.9° |
| C25 | C24 | C23 | 121.1° | 120.2° |
| C24 | C25 | H29 | 119.6° | 120.1° |
| C24 | C23 | N7 | 117.9° | 119.8° |
| C24 | C23 | C22 | 129.3° | 119.8° |
| C23 | N7 | C21 | 111.3° | 115.2° |
| N7 | C23 | C22 | 112.8° | 120.4° |
| C23 | N7 | H35 | 109.0° | 122.4° |
| N7 | C21 | N6 | 122.8° | 110.8° |
| N7 | C21 | S1 | 116.0° | 102.6° |
| N7 | C21 | H34 | 90.8° | 111.0° |
| C21 | N7 | H35 | 109.0° | 122.4° |
| C8 | C7 | N2 | 111.2° | 109.3° |
| C7 | C8 | N3 | 114.7° | 108.5° |
| C8 | C7 | H10 | 109.0° | 109.5° |
| C8 | C7 | H11 | 109.0° | 109.5° |
| C7 | C8 | H12 | 108.2° | 109.6° |
| C7 | C8 | H13 | 108.1° | 109.6° |
| C7 | N2 | C6 | 110.8° | 110.9° |
| C7 | N2 | C10 | 106.5° | 111.3° |
| N2 | C7 | H10 | 109.0° | 109.5° |
| N2 | C7 | H11 | 109.0° | 109.5° |
| O1 | C5 | C6 | 120.2° | 120.0° |
| C5 | C6 | N2 | 113.5° | 109.5° |
| C5 | C6 | H8 | 108.4° | 109.5° |
| C5 | C6 | H9 | 108.4° | 109.5° |
| C21 | N6 | C16 | 121.9° | 111.0° |
| N6 | C21 | S1 | 121.1° | 110.7° |
| N6 | C21 | H34 | 90.8° | 110.7° |
| N6 | C16 | N4 | 120.6° | 126.4° |
| N6 | C16 | C17 | 132.9° | 126.5° |
| C8 | N3 | C11 | 120.9° | 120.9° |
| C8 | N3 | C9 | 117.3° | 118.3° |
| N3 | C8 | H12 | 108.1° | 109.6° |
| N3 | C8 | H13 | 108.1° | 109.6° |
| C23 | C22 | S1 | 111.4° | 105.9° |
| C23 | C22 | C30 | 125.7° | 127.1° |
| C21 | S1 | C22 | 87.3° | 95.9° |
| S1 | C21 | H34 | 90.6° | 110.8° |
| C6 | N2 | C10 | 110.6° | 111.0° |
| N2 | C6 | H8 | 108.5° | 109.5° |
| N2 | C6 | H9 | 108.4° | 109.4° |
| C19 | C18 | C17 | 112.8° | 109.5° |
| C19 | C18 | H22 | 108.7° | 109.5° |
| C19 | C18 | H21 | 108.6° | 109.4° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | C19 | H23 | 109.5° | 109.4° |
| N4 | C16 | C17 | 106.5° | 107.1° |
| C16 | N4 | C15 | 131.2° | 132.6° |
| C16 | N4 | C14 | 106.8° | 107.1° |
| C16 | C17 | C18 | 130.3° | 125.7° |
| C16 | C17 | N5 | 109.5° | 108.6° |
| N2 | C10 | C9 | 110.7° | 109.3° |
| N2 | C10 | H16 | 109.1° | 109.5° |
| N2 | C10 | H17 | 109.1° | 109.4° |
| N4 | C15 | C11 | 119.3° | 120.5° |
| C15 | N4 | C14 | 122.0° | 120.4° |
| N4 | C15 | H20 | 120.4° | 119.8° |
| C15 | C11 | N3 | 119.0° | 119.9° |
| C15 | C11 | C12 | 119.1° | 120.2° |
| C11 | C15 | H20 | 120.4° | 119.8° |
| N4 | C14 | N5 | 110.4° | 108.1° |
| N4 | C14 | C13 | 118.0° | 119.7° |
| C11 | N3 | C9 | 120.9° | 120.9° |
| N3 | C11 | C12 | 121.8° | 119.9° |
| N3 | C9 | C10 | 113.6° | 108.5° |
| N3 | C9 | H14 | 108.4° | 109.6° |
| N3 | C9 | H15 | 108.4° | 109.6° |
| C18 | C17 | N5 | 120.2° | 125.8° |
| C17 | C18 | H22 | 108.6° | 109.5° |
| C17 | C18 | H21 | 108.6° | 109.5° |
| C17 | N5 | C14 | 106.8° | 109.2° |
| C11 | C12 | C13 | 121.3° | 119.8° |
| C11 | C12 | H18 | 119.4° | 120.1° |
| S1 | C22 | C30 | 122.9° | 127.1° |
| C22 | C30 | N8 | 176.9° | 180.0° |
| C10 | C9 | H14 | 108.4° | 109.6° |
| C10 | C9 | H15 | 108.4° | 109.7° |
| C9 | C10 | H16 | 109.2° | 109.5° |
| C9 | C10 | H17 | 109.1° | 109.5° |
| N5 | C14 | C13 | 131.6° | 132.2° |
| C14 | C13 | C12 | 120.4° | 119.5° |
| C14 | C13 | H19 | 119.8° | 120.2° |
| C13 | C12 | H18 | 119.4° | 120.1° |
| C12 | C13 | H19 | 119.8° | 120.3° |
| H3 | C2 | H2 | 109.5° | 110.9° |
| H4 | C3 | H5 | 109.5° | 110.4° |
| H6 | C4 | H7 | 109.5° | 110.0° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.8° |
| H14 | C9 | H15 | 109.5° | 109.7° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H22 | C18 | H21 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H23 | 109.5° | 109.5° |
| H25 | C19 | H23 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H26 | 109.4° | 109.5° |
| H28 | C20 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C4 | 119.0° | 118.4° |
| F1 | C1 | C2 | H1 | 122.4° | 123.1° |
| F1 | C1 | C4 | H1 | 123.2° | 123.2° |
| F1 | C1 | C2 | C3 | 127.0° | 153.9° |
| F1 | C1 | C4 | N1 | 142.0° | 140.5° |
| F1 | C1 | C2 | H3 | 7.4° | 35.8° |
| F1 | C1 | C2 | H2 | 113.4° | 88.0° |
| F1 | C1 | C4 | H6 | 99.0° | 100.0° |
| F1 | C1 | C4 | H7 | 23.0° | 21.1° |
| F2 | C27 | C28 | C26 | 179.5° | 179.9° |
| F2 | C27 | C28 | C29 | 178.8° | 179.7° |
| F2 | C27 | C26 | C25 | 178.8° | 180.0° |
| F2 | C27 | C26 | H30 | 1.2° | 0.0° |
| F2 | C27 | C28 | H31 | 1.2° | 0.1° |
| C2 | C1 | C4 | H1 | 118.7° | 118.4° |
| C1 | C2 | C3 | H3 | 119.5° | 118.0° |
| C1 | C2 | C3 | H2 | 119.6° | 118.1° |
| C2 | C1 | C4 | N1 | 24.0° | 22.1° |
| C1 | C2 | C3 | N1 | 11.1° | 37.0° |
| C1 | C2 | H3 | H2 | 121.3° | 123.9° |
| C1 | C2 | C3 | H4 | 108.1° | 155.9° |
| C1 | C2 | C3 | H5 | 130.4° | 81.9° |
| C2 | C1 | C4 | H6 | 143.0° | 141.6° |
| C2 | C1 | C4 | H7 | 95.1° | 97.2° |
| C4 | C1 | C2 | C3 | 8.0° | 35.5° |
| C1 | C4 | N1 | H6 | 119.0° | 119.5° |
| C1 | C4 | N1 | H7 | 119.0° | 119.4° |
| C1 | C4 | N1 | C3 | 32.3° | 1.1° |
| C1 | C4 | N1 | C5 | 148.9° | 179.0° |
| C4 | C1 | C2 | H3 | 111.6° | 82.6° |
| C4 | C1 | C2 | H2 | 127.5° | 153.6° |
| C1 | C4 | H6 | H7 | 122.9° | 121.0° |
| C27 | C28 | C29 | H31 | 180.0° | 179.8° |
| C27 | C28 | C29 | C24 | 0.3° | 0.5° |
| C28 | C27 | C26 | C25 | 0.8° | 0.0° |
| C28 | C27 | C26 | H30 | 179.2° | 180.0° |
| C27 | C28 | C29 | H32 | 179.7° | 180.0° |
| C29 | C28 | C27 | C26 | 0.8° | 0.3° |
| C28 | C29 | C24 | H32 | 180.0° | 179.5° |
| C28 | C29 | C24 | C25 | 0.2° | 0.5° |
| C28 | C29 | C24 | C23 | 179.7° | 179.7° |
| C2 | C3 | N1 | C4 | 27.5° | 24.2° |
| C2 | C3 | N1 | H4 | 119.2° | 118.8° |
| C2 | C3 | N1 | H5 | 119.2° | 118.8° |
| C2 | C3 | N1 | C5 | 153.6° | 155.9° |
| C3 | C2 | C1 | H1 | 110.7° | 83.1° |
| C3 | C2 | H3 | H2 | 121.3° | 123.9° |
| C2 | C3 | H4 | H5 | 122.2° | 122.2° |
| C4 | N1 | C3 | C5 | 178.9° | 179.9° |
| C4 | N1 | C5 | O1 | 23.4° | 180.0° |
| C4 | N1 | C5 | C6 | 159.3° | 0.1° |
| N1 | C4 | C1 | H1 | 94.7° | 96.3° |
| C4 | N1 | C3 | H4 | 91.7° | 143.0° |
| C4 | N1 | C3 | H5 | 146.8° | 94.6° |
| N1 | C4 | H6 | H7 | 122.9° | 121.1° |
| C27 | C26 | C25 | H30 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C27 | C26 | C25 | H29 | 179.7° | 180.0° |
| C26 | C27 | C28 | H31 | 179.2° | 179.9° |
| C29 | C24 | C25 | C26 | 0.2° | 0.3° |
| C29 | C24 | C25 | C23 | 179.5° | 179.7° |
| C29 | C24 | C23 | N7 | 27.3° | 131.7° |
| C29 | C24 | C23 | C22 | 153.7° | 48.4° |
| C29 | C24 | C25 | H29 | 179.8° | 179.8° |
| C24 | C29 | C28 | H31 | 179.7° | 179.7° |
| C3 | N1 | C5 | O1 | 157.9° | 0.1° |
| C3 | N1 | C5 | C6 | 19.4° | 180.0° |
| N1 | C3 | C2 | H3 | 130.7° | 81.0° |
| N1 | C3 | C2 | H2 | 108.4° | 155.1° |
| N1 | C3 | H4 | H5 | 122.2° | 122.4° |
| C3 | N1 | C4 | H6 | 151.3° | 118.3° |
| C3 | N1 | C4 | H7 | 86.7° | 120.5° |
| C20 | N6 | C21 | N7 | 3.5° | 50.9° |
| C20 | N6 | C21 | C16 | 172.7° | 124.0° |
| C20 | N6 | C21 | S1 | 179.2° | 62.3° |
| C20 | N6 | C16 | N4 | 72.0° | 12.0° |
| C20 | N6 | C16 | C17 | 106.0° | 168.1° |
| N6 | C20 | H27 | H28 | 120.0° | 120.0° |
| N6 | C20 | H27 | H26 | 120.0° | 120.0° |
| N6 | C20 | H28 | H26 | 120.0° | 120.0° |
| C20 | N6 | C21 | H34 | 88.0° | 174.4° |
| N1 | C5 | O1 | C6 | 177.3° | 179.9° |
| N1 | C5 | C6 | N2 | 142.3° | 179.9° |
| C5 | N1 | C3 | H4 | 87.2° | 37.1° |
| C5 | N1 | C3 | H5 | 34.4° | 85.3° |
| C5 | N1 | C4 | H6 | 29.9° | 61.6° |
| C5 | N1 | C4 | H7 | 92.1° | 59.6° |
| N1 | C5 | C6 | H8 | 21.7° | 60.0° |
| N1 | C5 | C6 | H9 | 97.1° | 60.0° |
| C26 | C25 | C24 | H29 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.7° | 180.0° |
| C25 | C24 | C23 | N7 | 152.1° | 48.1° |
| C25 | C24 | C23 | C22 | 26.8° | 131.9° |
| C24 | C25 | C26 | H30 | 179.7° | 180.0° |
| C25 | C24 | C29 | H32 | 179.8° | 180.0° |
| C24 | C23 | N7 | C22 | 179.1° | 180.0° |
| C24 | C23 | N7 | C21 | 167.0° | 180.0° |
| C24 | C23 | C22 | S1 | 169.6° | 180.0° |
| C24 | C23 | C22 | C30 | 9.7° | 0.1° |
| C24 | C23 | N7 | H35 | 46.7° | 0.1° |
| C23 | C24 | C25 | H29 | 0.3° | 0.0° |
| C23 | C24 | C29 | H32 | 0.3° | 0.3° |
| C23 | N7 | C21 | H35 | 120.3° | 179.9° |
| C23 | N7 | C21 | N6 | 173.0° | 118.2° |
| C23 | N7 | C21 | S1 | 9.6° | 0.0° |
| N7 | C23 | C22 | S1 | 9.4° | 0.0° |
| N7 | C23 | C22 | C30 | 171.3° | 180.0° |
| C23 | N7 | C21 | H34 | 81.5° | 118.4° |
| N7 | C21 | N6 | S1 | 177.3° | 113.2° |
| N7 | C21 | N6 | H34 | 91.5° | 123.5° |
| N7 | C21 | N6 | C16 | 169.2° | 174.9° |
| C21 | N7 | C23 | C22 | 12.1° | 0.0° |
| N7 | C21 | S1 | H34 | 91.2° | 118.5° |
| N7 | C21 | S1 | C22 | 3.6° | 0.0° |
| C8 | C7 | N2 | H10 | 120.2° | 120.0° |
| C8 | C7 | N2 | H11 | 120.3° | 120.0° |
| C7 | C8 | N3 | H12 | 120.8° | 119.7° |
| C7 | C8 | N3 | H13 | 120.8° | 119.7° |
| C8 | C7 | N2 | C6 | 175.1° | 172.8° |
| C8 | C7 | N2 | C10 | 64.5° | 63.1° |
| C7 | C8 | N3 | C11 | 160.5° | 128.8° |
| C7 | C8 | N3 | C9 | 29.9° | 51.2° |
| C8 | C7 | H10 | H11 | 119.2° | 120.0° |
| C7 | C8 | H12 | H13 | 117.6° | 120.5° |
| C7 | N2 | C6 | C5 | 72.8° | 65.7° |
| N2 | C7 | C8 | N3 | 46.6° | 53.8° |
| C7 | N2 | C6 | C10 | 117.9° | 124.3° |
| C7 | N2 | C10 | C9 | 66.9° | 63.1° |
| C7 | N2 | C6 | H8 | 47.8° | 54.3° |
| C7 | N2 | C6 | H9 | 166.7° | 174.3° |
| N2 | C7 | H10 | H11 | 119.2° | 120.1° |
| N2 | C7 | C8 | H12 | 74.2° | 65.9° |
| N2 | C7 | C8 | H13 | 167.3° | 173.5° |
| C7 | N2 | C10 | H16 | 53.3° | 56.9° |
| C7 | N2 | C10 | H17 | 173.0° | 176.9° |
| O1 | C5 | C6 | N2 | 40.3° | 0.0° |
| O1 | C5 | C6 | H8 | 160.9° | 120.1° |
| O1 | C5 | C6 | H9 | 80.3° | 119.9° |
| C5 | C6 | N2 | H8 | 120.6° | 120.0° |
| C5 | C6 | N2 | H9 | 120.6° | 120.0° |
| C5 | C6 | N2 | C10 | 169.4° | 170.0° |
| C5 | C6 | H8 | H9 | 118.1° | 120.0° |
| N6 | C21 | S1 | H34 | 91.3° | 123.2° |
| C21 | N6 | C16 | N4 | 101.0° | 112.0° |
| C21 | N6 | C16 | C17 | 81.0° | 67.9° |
| N6 | C21 | S1 | C22 | 178.9° | 118.3° |
| C21 | N6 | C20 | H27 | 180.0° | 53.3° |
| C21 | N6 | C20 | H28 | 60.0° | 173.4° |
| C21 | N6 | C20 | H26 | 60.0° | 66.6° |
| N6 | C21 | N7 | H35 | 52.7° | 61.7° |
| C16 | N6 | C21 | S1 | 8.1° | 61.7° |
| N6 | C16 | N4 | C17 | 178.5° | 180.0° |
| N6 | C16 | N4 | C15 | 1.9° | 0.3° |
| N6 | C16 | N4 | C14 | 178.5° | 180.0° |
| N6 | C16 | C17 | C18 | 2.2° | 0.1° |
| N6 | C16 | C17 | N5 | 178.5° | 180.0° |
| C16 | N6 | C20 | H27 | 6.9° | 70.6° |
| C16 | N6 | C20 | H28 | 126.9° | 49.4° |
| C16 | N6 | C20 | H26 | 113.1° | 169.4° |
| C16 | N6 | C21 | H34 | 99.3° | 61.6° |
| C8 | N3 | C11 | C15 | 23.6° | 173.7° |
| C8 | N3 | C11 | C9 | 169.2° | 180.0° |
| C8 | N3 | C11 | C12 | 160.9° | 6.1° |
| C8 | N3 | C9 | C10 | 31.8° | 51.2° |
| N3 | C8 | C7 | H10 | 73.7° | 173.8° |
| N3 | C8 | C7 | H11 | 166.8° | 66.2° |
| N3 | C8 | H12 | H13 | 117.6° | 120.5° |
| C8 | N3 | C9 | H14 | 88.8° | 68.5° |
| C8 | N3 | C9 | H15 | 152.4° | 171.1° |
| C23 | C22 | S1 | C21 | 3.5° | 0.0° |
| C23 | C22 | S1 | C30 | 179.3° | 180.0° |
| C23 | C22 | C30 | N8 | 3.1° | 96.5° |
| C22 | C23 | N7 | H35 | 132.4° | 179.9° |
| C21 | S1 | C22 | C30 | 177.2° | 180.0° |
| S1 | C21 | N7 | H35 | 129.8° | 179.9° |
| C6 | N2 | C10 | C9 | 172.6° | 172.8° |
| N2 | C6 | H8 | H9 | 118.2° | 120.0° |
| C6 | N2 | C7 | H10 | 64.6° | 52.8° |
| C6 | N2 | C7 | H11 | 54.9° | 67.3° |
| C6 | N2 | C10 | H16 | 67.2° | 67.2° |
| C6 | N2 | C10 | H17 | 52.5° | 52.8° |
| C19 | C18 | C17 | C16 | 102.5° | 95.3° |
| C19 | C18 | C17 | H22 | 120.5° | 120.0° |
| C19 | C18 | C17 | H21 | 120.5° | 120.0° |
| C19 | C18 | C17 | N5 | 78.3° | 84.7° |
| C19 | C18 | H22 | H21 | 118.5° | 119.9° |
| C18 | C19 | H24 | H25 | 120.0° | 120.1° |
| C18 | C19 | H24 | H23 | 120.0° | 120.0° |
| C18 | C19 | H25 | H23 | 120.0° | 119.9° |
| C16 | N4 | C15 | C14 | 179.5° | 179.6° |
| C16 | N4 | C15 | C11 | 180.0° | 179.9° |
| N4 | C16 | C17 | C18 | 179.5° | 180.0° |
| N4 | C16 | C17 | N5 | 0.3° | 0.0° |
| C16 | N4 | C14 | N5 | 0.3° | 0.0° |
| C16 | N4 | C14 | C13 | 179.7° | 179.9° |
| C16 | N4 | C15 | H20 | 0.0° | 0.3° |
| C17 | C16 | N4 | C15 | 179.6° | 179.6° |
| C17 | C16 | N4 | C14 | 0.0° | 0.0° |
| C16 | C17 | C18 | N5 | 179.2° | 180.0° |
| C16 | C17 | N5 | C14 | 0.4° | 0.0° |
| C16 | C17 | C18 | H22 | 18.0° | 144.7° |
| C16 | C17 | C18 | H21 | 137.0° | 24.7° |
| N2 | C10 | C9 | N3 | 50.7° | 53.9° |
| N2 | C10 | C9 | H16 | 120.2° | 119.9° |
| N2 | C10 | C9 | H17 | 120.2° | 119.9° |
| C10 | N2 | C6 | H8 | 70.0° | 70.0° |
| C10 | N2 | C6 | H9 | 48.8° | 50.1° |
| C10 | N2 | C7 | H10 | 55.7° | 176.9° |
| C10 | N2 | C7 | H11 | 175.2° | 56.9° |
| N2 | C10 | C9 | H14 | 69.9° | 65.8° |
| N2 | C10 | C9 | H15 | 171.3° | 173.6° |
| N2 | C10 | H16 | H17 | 119.4° | 120.0° |
| N4 | C15 | C11 | H20 | 180.0° | 179.6° |
| N4 | C15 | C11 | N3 | 176.7° | 179.7° |
| N4 | C15 | C11 | C12 | 1.0° | 0.5° |
| C15 | N4 | C14 | N5 | 179.3° | 179.7° |
| C15 | N4 | C14 | C13 | 0.1° | 0.3° |
| C11 | C15 | N4 | C14 | 0.5° | 0.5° |
| C15 | C11 | N3 | C12 | 175.5° | 179.8° |
| C15 | C11 | N3 | C9 | 145.6° | 6.3° |
| C15 | C11 | C12 | C13 | 1.1° | 0.2° |
| C15 | C11 | C12 | H18 | 178.8° | 179.8° |
| N4 | C14 | N5 | C17 | 0.4° | 0.0° |
| N4 | C14 | N5 | C13 | 179.4° | 179.9° |
| N4 | C14 | C13 | C12 | 0.2° | 0.0° |
| N4 | C14 | C13 | H19 | 179.8° | 180.0° |
| C14 | N4 | C15 | H20 | 179.4° | 179.9° |
| C11 | N3 | C9 | C10 | 158.6° | 128.8° |
| N3 | C11 | C12 | C13 | 176.7° | 180.0° |
| C11 | N3 | C8 | H12 | 78.7° | 111.5° |
| C11 | N3 | C8 | H13 | 39.7° | 9.1° |
| C11 | N3 | C9 | H14 | 80.8° | 111.5° |
| C11 | N3 | C9 | H15 | 38.0° | 9.0° |
| N3 | C11 | C12 | H18 | 3.3° | 0.0° |
| N3 | C11 | C15 | H20 | 3.3° | 0.1° |
| C9 | N3 | C11 | C12 | 29.9° | 173.9° |
| N3 | C9 | C10 | H14 | 120.6° | 119.7° |
| N3 | C9 | C10 | H15 | 120.6° | 119.8° |
| C9 | N3 | C8 | H12 | 90.9° | 68.5° |
| C9 | N3 | C8 | H13 | 150.7° | 170.9° |
| N3 | C9 | H14 | H15 | 118.1° | 120.4° |
| N3 | C9 | C10 | H16 | 69.5° | 66.1° |
| N3 | C9 | C10 | H17 | 170.9° | 173.8° |
| C18 | C17 | N5 | C14 | 179.8° | 180.0° |
| C17 | C18 | H22 | H21 | 118.5° | 120.0° |
| C17 | C18 | C19 | H24 | 180.0° | 175.1° |
| C17 | C18 | C19 | H25 | 60.0° | 64.8° |
| C17 | C18 | C19 | H23 | 60.0° | 55.0° |
| C17 | N5 | C14 | C13 | 179.8° | 179.9° |
| N5 | C17 | C18 | H22 | 161.2° | 35.4° |
| N5 | C17 | C18 | H21 | 42.2° | 155.3° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C11 | C12 | C13 | H19 | 179.3° | 180.0° |
| C12 | C11 | C15 | H20 | 179.0° | 179.9° |
| S1 | C22 | C30 | N8 | 177.7° | 83.6° |
| C22 | S1 | C21 | H34 | 87.6° | 118.5° |
| C10 | C9 | H14 | H15 | 118.1° | 120.5° |
| C9 | C10 | H16 | H17 | 119.4° | 120.1° |
| N5 | C14 | C13 | C12 | 179.1° | 180.0° |
| N5 | C14 | C13 | H19 | 0.9° | 0.1° |
| C14 | C13 | C12 | H19 | 180.0° | 179.9° |
| C14 | C13 | C12 | H18 | 179.2° | 180.0° |
| H1 | C1 | C2 | H3 | 129.8° | 158.9° |
| H1 | C1 | C2 | H2 | 8.9° | 35.0° |
| H1 | C1 | C4 | H6 | 24.3° | 23.2° |
| H1 | C1 | C4 | H7 | 146.2° | 144.3° |
| H3 | C2 | C3 | H4 | 11.5° | 37.8° |
| H3 | C2 | C3 | H5 | 110.1° | 160.1° |
| H2 | C2 | C3 | H4 | 132.4° | 86.0° |
| H2 | C2 | C3 | H5 | 10.8° | 36.3° |
| H10 | C7 | C8 | H12 | 165.5° | 54.1° |
| H10 | C7 | C8 | H13 | 47.1° | 66.5° |
| H11 | C7 | C8 | H12 | 46.1° | 174.1° |
| H11 | C7 | C8 | H13 | 72.4° | 53.6° |
| H14 | C9 | C10 | H16 | 169.9° | 174.2° |
| H14 | C9 | C10 | H17 | 50.3° | 54.1° |
| H15 | C9 | C10 | H16 | 51.1° | 53.7° |
| H15 | C9 | C10 | H17 | 68.5° | 66.4° |
| H18 | C12 | C13 | H19 | 0.7° | 0.0° |
| H22 | C18 | C19 | H24 | 59.5° | 55.1° |
| H22 | C18 | C19 | H25 | 60.5° | 175.1° |
| H22 | C18 | C19 | H23 | 179.5° | 65.0° |
| H21 | C18 | C19 | H24 | 59.5° | 64.9° |
| H21 | C18 | C19 | H25 | 179.5° | 55.2° |
| H21 | C18 | C19 | H23 | 60.5° | 175.1° |
| H24 | C19 | H25 | H23 | 120.0° | 120.0° |
| H27 | C20 | H28 | H26 | 120.0° | 120.0° |
| H34 | C21 | N7 | H35 | 38.8° | 61.7° |
| H29 | C25 | C26 | H30 | 0.3° | 0.0° |
| H31 | C28 | C29 | H32 | 0.3° | 0.2° |
