V9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| O1 | C8 | doub | 1.22Å | 1.22Å | |
| C2 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | N1 | sing | 1.46Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C8 | N1 | sing | 1.35Å | 1.35Å | |
| C8 | C9 | sing | 1.47Å | 1.49Å | |
| C11 | C9 | doub | 1.35Å | 1.43Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.66Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | O4 | sing | 1.43Å | 1.42Å | |
| C9 | N2 | sing | 1.33Å | 1.38Å | Aromatic |
| S1 | C10 | sing | 1.76Å | 1.70Å | Aromatic |
| O4 | C25 | sing | 1.36Å | 1.37Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C10 | doub | 1.30Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.38Å | 1.33Å | |
| C23 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.49Å | |
| C26 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.34Å | |
| C22 | N5 | sing | 1.32Å | 1.36Å | Aromatic |
| C22 | C19 | sing | 1.48Å | 1.48Å | |
| O3 | C27 | doub | 1.21Å | 1.32Å | |
| N4 | C12 | doub | 1.30Å | 1.28Å | |
| C27 | O2 | sing | 1.35Å | 1.22Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.48Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.50Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C31 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.08Å | 1.08Å | |
| C34 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| C32 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C32 | 119.6° | 120.1° |
| C33 | C34 | C35 | 119.4° | 120.0° |
| C33 | C34 | H9 | 120.3° | 120.0° |
| C34 | C33 | H10 | 120.2° | 120.0° |
| C33 | C32 | C31 | 121.4° | 120.0° |
| C32 | C33 | H10 | 120.2° | 120.0° |
| C33 | C32 | H11 | 119.3° | 120.1° |
| C34 | C35 | C30 | 121.3° | 120.0° |
| C34 | C35 | H8 | 119.3° | 120.0° |
| C35 | C34 | H9 | 120.3° | 120.0° |
| C32 | C31 | C30 | 119.3° | 120.0° |
| C32 | C31 | H2 | 120.3° | 120.0° |
| C31 | C32 | H11 | 119.3° | 120.0° |
| C35 | C30 | C31 | 119.0° | 120.0° |
| C35 | C30 | C29 | 121.1° | 120.0° |
| C30 | C35 | H8 | 119.4° | 120.0° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C30 | C31 | H2 | 120.4° | 120.0° |
| C3 | C1 | C2 | 118.9° | 120.0° |
| C1 | C3 | C4 | 121.8° | 120.0° |
| C1 | C3 | H27 | 119.1° | 120.0° |
| C3 | C1 | H28 | 120.6° | 120.0° |
| C1 | C2 | C6 | 120.0° | 120.0° |
| C2 | C1 | H28 | 120.6° | 120.0° |
| C1 | C2 | H31 | 120.0° | 120.0° |
| C3 | C4 | C7 | 120.5° | 120.0° |
| C3 | C4 | C5 | 118.7° | 120.0° |
| C4 | C3 | H27 | 119.1° | 120.0° |
| C30 | C29 | C28 | 107.9° | 109.5° |
| C30 | C29 | H6 | 109.9° | 109.5° |
| C30 | C29 | H7 | 109.8° | 109.5° |
| O1 | C8 | N1 | 124.5° | 120.0° |
| O1 | C8 | C9 | 118.1° | 120.0° |
| C2 | C6 | C5 | 119.5° | 120.0° |
| C2 | C6 | H30 | 120.3° | 120.0° |
| C6 | C2 | H31 | 120.0° | 120.0° |
| C7 | C4 | C5 | 120.5° | 120.0° |
| C4 | C7 | N1 | 116.8° | 109.5° |
| C4 | C7 | H25 | 107.6° | 109.5° |
| C4 | C7 | H26 | 107.6° | 109.5° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C4 | C5 | H29 | 119.5° | 120.0° |
| C7 | N1 | C8 | 122.3° | 120.0° |
| C7 | N1 | H24 | 118.8° | 120.0° |
| N1 | C7 | H25 | 107.6° | 109.4° |
| N1 | C7 | H26 | 107.6° | 109.4° |
| C29 | C28 | O4 | 108.2° | 109.4° |
| C29 | C28 | H4 | 109.8° | 109.5° |
| C29 | C28 | H5 | 109.8° | 109.5° |
| C28 | C29 | H6 | 109.9° | 109.5° |
| C28 | C29 | H7 | 109.9° | 109.5° |
| N1 | C8 | C9 | 117.3° | 120.0° |
| C8 | N1 | H24 | 118.9° | 120.0° |
| C8 | C9 | C11 | 122.4° | 122.5° |
| C8 | C9 | N2 | 121.1° | 122.5° |
| C9 | C11 | S1 | 106.9° | 108.2° |
| C11 | C9 | N2 | 116.5° | 115.1° |
| C9 | C11 | H23 | 126.6° | 125.8° |
| C11 | S1 | C10 | 94.1° | 90.2° |
| S1 | C11 | H23 | 126.5° | 125.9° |
| C6 | C5 | H29 | 119.5° | 120.0° |
| C5 | C6 | H30 | 120.3° | 120.0° |
| C28 | O4 | C25 | 118.5° | 117.0° |
| O4 | C28 | H4 | 109.8° | 109.5° |
| O4 | C28 | H5 | 109.8° | 109.5° |
| C9 | N2 | C10 | 109.4° | 116.9° |
| S1 | C10 | N2 | 113.1° | 109.6° |
| S1 | C10 | N3 | 122.9° | 125.2° |
| O4 | C25 | C24 | 122.2° | 120.4° |
| O4 | C25 | C26 | 119.9° | 120.4° |
| C25 | C24 | C23 | 118.2° | 118.5° |
| C24 | C25 | C26 | 117.7° | 119.1° |
| C25 | C24 | H12 | 120.9° | 120.7° |
| C24 | C23 | C22 | 121.5° | 119.4° |
| C23 | C24 | H12 | 120.9° | 120.8° |
| C24 | C23 | H13 | 119.2° | 120.3° |
| N2 | C10 | N3 | 123.9° | 125.2° |
| C25 | C26 | C27 | 122.1° | 119.7° |
| C25 | C26 | N5 | 122.9° | 120.6° |
| C10 | N3 | N4 | 116.5° | 120.0° |
| C10 | N3 | H22 | 121.7° | 120.0° |
| C23 | C22 | N5 | 119.9° | 120.9° |
| C23 | C22 | C19 | 123.2° | 119.6° |
| C22 | C23 | H13 | 119.2° | 120.3° |
| C27 | C26 | N5 | 115.0° | 119.7° |
| C26 | C27 | O3 | 117.6° | 120.0° |
| C26 | C27 | O2 | 118.6° | 120.0° |
| C26 | N5 | C22 | 119.5° | 121.6° |
| N3 | N4 | C12 | 123.5° | 120.0° |
| N4 | N3 | H22 | 121.8° | 120.0° |
| N5 | C22 | C19 | 116.8° | 119.6° |
| C22 | C19 | C18 | 119.1° | 120.2° |
| C22 | C19 | C20 | 123.2° | 120.2° |
| O3 | C27 | O2 | 123.8° | 120.0° |
| N4 | C12 | C17 | 120.8° | 121.2° |
| N4 | C12 | C13 | 122.0° | 121.2° |
| C27 | O2 | H3 | 109.5° | 117.0° |
| C19 | C18 | C17 | 121.9° | 119.7° |
| C18 | C19 | C20 | 117.6° | 119.7° |
| C19 | C18 | H21 | 119.0° | 120.1° |
| C18 | C17 | C12 | 119.8° | 119.6° |
| C18 | C17 | C16 | 121.4° | 120.3° |
| C17 | C18 | H21 | 119.0° | 120.2° |
| C19 | C20 | C21 | 120.2° | 120.4° |
| C19 | C20 | H14 | 119.9° | 119.8° |
| C17 | C12 | C13 | 116.7° | 117.7° |
| C12 | C17 | C16 | 118.9° | 120.1° |
| C12 | C13 | C14 | 107.2° | 107.3° |
| C12 | C13 | H19 | 110.0° | 109.9° |
| C12 | C13 | H20 | 110.0° | 110.0° |
| C17 | C16 | C21 | 118.2° | 119.5° |
| C17 | C16 | C15 | 123.5° | 121.6° |
| C20 | C21 | C16 | 120.5° | 120.5° |
| C20 | C21 | H1 | 119.7° | 119.7° |
| C21 | C20 | H14 | 119.9° | 119.8° |
| C13 | C14 | C15 | 110.2° | 109.4° |
| C13 | C14 | H17 | 109.3° | 109.5° |
| C13 | C14 | H18 | 109.3° | 109.5° |
| C14 | C13 | H19 | 110.0° | 109.9° |
| C14 | C13 | H20 | 110.0° | 109.9° |
| C21 | C16 | C15 | 118.1° | 119.0° |
| C16 | C21 | H1 | 119.7° | 119.8° |
| C16 | C15 | C14 | 112.3° | 111.3° |
| C16 | C15 | H15 | 108.7° | 109.1° |
| C16 | C15 | H16 | 108.8° | 109.1° |
| C14 | C15 | H15 | 108.8° | 109.1° |
| C14 | C15 | H16 | 108.7° | 109.1° |
| C15 | C14 | H17 | 109.3° | 109.5° |
| C15 | C14 | H18 | 109.3° | 109.4° |
| H4 | C28 | H5 | 109.4° | 109.5° |
| H6 | C29 | H7 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.1° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.9° |
| H25 | C7 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C32 | H10 | 180.0° | 179.7° |
| C33 | C34 | C35 | H9 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.8° | 0.6° |
| C33 | C34 | C35 | C30 | 1.1° | 0.1° |
| C33 | C34 | C35 | H8 | 178.9° | 180.0° |
| C34 | C33 | C32 | H11 | 179.2° | 180.0° |
| C32 | C33 | C34 | C35 | 0.4° | 0.3° |
| C33 | C32 | C31 | H11 | 180.0° | 179.4° |
| C33 | C32 | C31 | C30 | 0.3° | 0.5° |
| C33 | C32 | C31 | H2 | 179.8° | 179.7° |
| C32 | C33 | C34 | H9 | 179.6° | 179.7° |
| C34 | C35 | C30 | H8 | 180.0° | 179.9° |
| C34 | C35 | C30 | C31 | 2.2° | 0.1° |
| C34 | C35 | C30 | C29 | 177.0° | 180.0° |
| C35 | C34 | C33 | H10 | 179.6° | 180.0° |
| C32 | C31 | C30 | C35 | 1.7° | 0.2° |
| C32 | C31 | C30 | H2 | 180.0° | 179.7° |
| C32 | C31 | C30 | C29 | 176.6° | 179.7° |
| C31 | C32 | C33 | H10 | 179.2° | 179.7° |
| C35 | C30 | C31 | C29 | 174.9° | 179.9° |
| C35 | C30 | C29 | C28 | 86.2° | 89.9° |
| C35 | C30 | C31 | H2 | 178.3° | 179.9° |
| C35 | C30 | C29 | H6 | 154.0° | 150.1° |
| C35 | C30 | C29 | H7 | 33.5° | 30.1° |
| C30 | C35 | C34 | H9 | 178.9° | 180.0° |
| C31 | C30 | C29 | C28 | 88.6° | 90.0° |
| C31 | C30 | C29 | H6 | 31.2° | 30.0° |
| C31 | C30 | C29 | H7 | 151.7° | 150.0° |
| C31 | C30 | C35 | H8 | 177.9° | 180.0° |
| C30 | C31 | C32 | H11 | 179.7° | 179.9° |
| C3 | C1 | C2 | H28 | 180.0° | 180.0° |
| C1 | C3 | C4 | H27 | 180.0° | 179.9° |
| C3 | C1 | C2 | C6 | 0.5° | 0.3° |
| C1 | C3 | C4 | C7 | 177.9° | 180.0° |
| C1 | C3 | C4 | C5 | 4.2° | 0.4° |
| C3 | C1 | C2 | H31 | 179.5° | 180.0° |
| C2 | C1 | C3 | C4 | 2.0° | 0.1° |
| C1 | C2 | C6 | H31 | 180.0° | 179.7° |
| C1 | C2 | C6 | C5 | 0.6° | 0.4° |
| C2 | C1 | C3 | H27 | 178.0° | 180.0° |
| C1 | C2 | C6 | H30 | 179.4° | 179.7° |
| C3 | C4 | C7 | C5 | 173.6° | 179.7° |
| C3 | C4 | C7 | N1 | 100.1° | 89.7° |
| C3 | C4 | C5 | C6 | 4.1° | 0.3° |
| C3 | C4 | C7 | H25 | 21.0° | 150.3° |
| C3 | C4 | C7 | H26 | 138.9° | 30.2° |
| C4 | C3 | C1 | H28 | 178.0° | 179.9° |
| C3 | C4 | C5 | H29 | 175.9° | 179.7° |
| C30 | C29 | C28 | H6 | 119.8° | 120.0° |
| C30 | C29 | C28 | H7 | 119.7° | 120.0° |
| C30 | C29 | C28 | O4 | 169.6° | 180.0° |
| C29 | C30 | C31 | H2 | 3.4° | 0.0° |
| C30 | C29 | C28 | H4 | 49.7° | 60.0° |
| C30 | C29 | C28 | H5 | 70.6° | 60.0° |
| C30 | C29 | H6 | H7 | 120.7° | 120.0° |
| C29 | C30 | C35 | H8 | 3.0° | 0.1° |
| O1 | C8 | N1 | C7 | 3.2° | 0.0° |
| O1 | C8 | N1 | C9 | 174.7° | 180.0° |
| O1 | C8 | C9 | C11 | 0.7° | 0.0° |
| O1 | C8 | C9 | N2 | 179.3° | 179.9° |
| O1 | C8 | N1 | H24 | 176.8° | 179.9° |
| C2 | C6 | C5 | C4 | 1.7° | 0.1° |
| C2 | C6 | C5 | H30 | 180.0° | 179.9° |
| C6 | C2 | C1 | H28 | 179.5° | 179.7° |
| C2 | C6 | C5 | H29 | 178.3° | 179.9° |
| C4 | C7 | N1 | H25 | 121.1° | 120.0° |
| C4 | C7 | N1 | H26 | 121.0° | 120.0° |
| C4 | C7 | N1 | C8 | 107.4° | 180.0° |
| C7 | C4 | C5 | C6 | 177.8° | 180.0° |
| C4 | C7 | N1 | H24 | 72.6° | 0.0° |
| C4 | C7 | H25 | H26 | 116.7° | 120.0° |
| C7 | C4 | C3 | H27 | 2.1° | 0.1° |
| C7 | C4 | C5 | H29 | 2.2° | 0.0° |
| C5 | C4 | C7 | N1 | 86.3° | 90.0° |
| C4 | C5 | C6 | H29 | 180.0° | 180.0° |
| C5 | C4 | C7 | H25 | 152.6° | 30.0° |
| C5 | C4 | C7 | H26 | 34.7° | 150.1° |
| C5 | C4 | C3 | H27 | 175.8° | 179.7° |
| C4 | C5 | C6 | H30 | 178.3° | 180.0° |
| C7 | N1 | C8 | H24 | 180.0° | 180.0° |
| C7 | N1 | C8 | C9 | 177.9° | 180.0° |
| N1 | C7 | H25 | H26 | 116.7° | 119.9° |
| C29 | C28 | O4 | H4 | 119.8° | 120.0° |
| C29 | C28 | O4 | H5 | 119.8° | 120.0° |
| C29 | C28 | O4 | C25 | 169.2° | 180.0° |
| C29 | C28 | H4 | H5 | 120.6° | 120.0° |
| C28 | C29 | H6 | H7 | 120.7° | 120.0° |
| N1 | C8 | C9 | C11 | 175.8° | 180.0° |
| N1 | C8 | C9 | N2 | 4.2° | 0.0° |
| C8 | N1 | C7 | H25 | 13.6° | 60.0° |
| C8 | N1 | C7 | H26 | 131.5° | 60.0° |
| C8 | C9 | C11 | N2 | 180.0° | 180.0° |
| C8 | C9 | C11 | S1 | 178.1° | 180.0° |
| C8 | C9 | N2 | C10 | 177.1° | 180.0° |
| C8 | C9 | C11 | H23 | 1.9° | 0.1° |
| C9 | C8 | N1 | H24 | 2.1° | 0.0° |
| C9 | C11 | S1 | H23 | 180.0° | 179.9° |
| C9 | C11 | S1 | C10 | 0.3° | 0.0° |
| C11 | C9 | N2 | C10 | 2.9° | 0.0° |
| S1 | C11 | C9 | N2 | 1.9° | 0.0° |
| C11 | S1 | C10 | N2 | 1.3° | 0.0° |
| C11 | S1 | C10 | N3 | 177.7° | 179.9° |
| C5 | C6 | C2 | H31 | 179.4° | 179.9° |
| C28 | O4 | C25 | C24 | 17.1° | 0.0° |
| C28 | O4 | C25 | C26 | 167.9° | 180.0° |
| O4 | C28 | H4 | H5 | 120.6° | 120.0° |
| O4 | C28 | C29 | H6 | 70.7° | 60.0° |
| O4 | C28 | C29 | H7 | 49.8° | 60.0° |
| C9 | N2 | C10 | S1 | 2.6° | 0.0° |
| C9 | N2 | C10 | N3 | 178.9° | 179.9° |
| N2 | C9 | C11 | H23 | 178.1° | 180.0° |
| S1 | C10 | N2 | N3 | 176.3° | 180.0° |
| S1 | C10 | N3 | N4 | 14.7° | 0.1° |
| S1 | C10 | N3 | H22 | 165.4° | 180.0° |
| C10 | S1 | C11 | H23 | 179.7° | 179.9° |
| O4 | C25 | C24 | C26 | 175.1° | 180.0° |
| O4 | C25 | C24 | C23 | 179.6° | 180.0° |
| O4 | C25 | C26 | C27 | 0.5° | 0.1° |
| O4 | C25 | C26 | N5 | 178.9° | 179.7° |
| C25 | O4 | C28 | H4 | 71.0° | 60.0° |
| C25 | O4 | C28 | H5 | 49.3° | 60.0° |
| O4 | C25 | C24 | H12 | 0.4° | 0.0° |
| C25 | C24 | C23 | H12 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 2.1° | 0.0° |
| C24 | C25 | C26 | C27 | 175.8° | 180.0° |
| C24 | C25 | C26 | N5 | 3.7° | 0.2° |
| C25 | C24 | C23 | H13 | 177.9° | 180.0° |
| C23 | C24 | C25 | C26 | 4.6° | 0.0° |
| C24 | C23 | C22 | H13 | 180.0° | 180.0° |
| C24 | C23 | C22 | N5 | 1.5° | 0.3° |
| C24 | C23 | C22 | C19 | 178.9° | 180.0° |
| N2 | C10 | N3 | N4 | 169.3° | 180.0° |
| N2 | C10 | N3 | H22 | 10.6° | 0.1° |
| C25 | C26 | C27 | N5 | 179.5° | 179.8° |
| C25 | C26 | N5 | C22 | 0.1° | 0.5° |
| C25 | C26 | C27 | O3 | 48.8° | 0.2° |
| C25 | C26 | C27 | O2 | 131.8° | 179.7° |
| C26 | C25 | C24 | H12 | 175.5° | 180.0° |
| C10 | N3 | N4 | H22 | 180.0° | 179.9° |
| C10 | N3 | N4 | C12 | 157.1° | 180.0° |
| C23 | C22 | N5 | C26 | 2.5° | 0.5° |
| C23 | C22 | N5 | C19 | 177.6° | 179.7° |
| C23 | C22 | C19 | C18 | 26.9° | 175.0° |
| C23 | C22 | C19 | C20 | 157.5° | 5.0° |
| C22 | C23 | C24 | H12 | 177.9° | 180.0° |
| C27 | C26 | N5 | C22 | 179.4° | 179.7° |
| C26 | C27 | O3 | O2 | 179.4° | 180.0° |
| C26 | C27 | O2 | H3 | 179.4° | 179.9° |
| C26 | N5 | C22 | C19 | 179.9° | 179.8° |
| N5 | C26 | C27 | O3 | 131.7° | 180.0° |
| N5 | C26 | C27 | O2 | 47.7° | 0.1° |
| N3 | N4 | C12 | C17 | 174.7° | 180.0° |
| N3 | N4 | C12 | C13 | 13.7° | 0.0° |
| N5 | C22 | C19 | C18 | 155.6° | 5.3° |
| N5 | C22 | C19 | C20 | 19.9° | 174.7° |
| N5 | C22 | C23 | H13 | 178.5° | 179.7° |
| C22 | C19 | C18 | C20 | 175.8° | 179.9° |
| C22 | C19 | C18 | C17 | 178.7° | 179.9° |
| C22 | C19 | C20 | C21 | 180.0° | 179.9° |
| C19 | C22 | C23 | H13 | 1.1° | 0.0° |
| C22 | C19 | C20 | H14 | 0.0° | 0.2° |
| C22 | C19 | C18 | H21 | 1.3° | 0.1° |
| O3 | C27 | O2 | H3 | 0.0° | 0.0° |
| N4 | C12 | C17 | C18 | 10.3° | 11.3° |
| N4 | C12 | C17 | C13 | 172.0° | 180.0° |
| N4 | C12 | C17 | C16 | 170.3° | 168.4° |
| N4 | C12 | C13 | C14 | 138.1° | 137.5° |
| N4 | C12 | C13 | H19 | 18.5° | 103.0° |
| N4 | C12 | C13 | H20 | 102.3° | 18.0° |
| C12 | N4 | N3 | H22 | 22.9° | 0.1° |
| C19 | C18 | C17 | H21 | 180.0° | 180.0° |
| C19 | C18 | C17 | C12 | 178.9° | 179.5° |
| C19 | C18 | C17 | C16 | 1.8° | 0.2° |
| C18 | C19 | C20 | C21 | 4.3° | 0.0° |
| C18 | C19 | C20 | H14 | 175.7° | 179.9° |
| C17 | C18 | C19 | C20 | 2.9° | 0.0° |
| C18 | C17 | C12 | C16 | 179.4° | 179.7° |
| C18 | C17 | C12 | C13 | 161.7° | 168.6° |
| C18 | C17 | C16 | C21 | 2.1° | 0.4° |
| C18 | C17 | C16 | C15 | 178.3° | 179.4° |
| C19 | C20 | C21 | H14 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 4.8° | 0.1° |
| C19 | C20 | C21 | H1 | 175.2° | 180.0° |
| C20 | C19 | C18 | H21 | 177.1° | 180.0° |
| C17 | C12 | C13 | C14 | 49.9° | 42.5° |
| C12 | C17 | C16 | C21 | 178.6° | 179.3° |
| C12 | C17 | C16 | C15 | 2.4° | 0.9° |
| C17 | C12 | C13 | H19 | 169.6° | 76.9° |
| C17 | C12 | C13 | H20 | 69.7° | 162.0° |
| C12 | C17 | C18 | H21 | 1.2° | 0.5° |
| C13 | C12 | C17 | C16 | 17.6° | 11.6° |
| C12 | C13 | C14 | H19 | 119.6° | 119.5° |
| C12 | C13 | C14 | H20 | 119.6° | 119.5° |
| C12 | C13 | C14 | C15 | 63.5° | 64.0° |
| C12 | C13 | C14 | H17 | 56.6° | 176.1° |
| C12 | C13 | C14 | H18 | 176.5° | 56.0° |
| C12 | C13 | H19 | H20 | 121.1° | 121.1° |
| C17 | C16 | C21 | C20 | 3.6° | 0.3° |
| C17 | C16 | C21 | C15 | 176.4° | 179.7° |
| C17 | C16 | C15 | C14 | 12.3° | 22.9° |
| C17 | C16 | C21 | H1 | 176.4° | 179.8° |
| C17 | C16 | C15 | H15 | 108.2° | 97.5° |
| C17 | C16 | C15 | H16 | 132.7° | 143.4° |
| C16 | C17 | C18 | H21 | 178.2° | 179.8° |
| C20 | C21 | C16 | H1 | 180.0° | 179.9° |
| C20 | C21 | C16 | C15 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 45.5° | 54.8° |
| C13 | C14 | C15 | H17 | 120.1° | 120.0° |
| C13 | C14 | C15 | H18 | 120.1° | 120.0° |
| C13 | C14 | C15 | H15 | 74.9° | 65.6° |
| C13 | C14 | C15 | H16 | 165.9° | 175.2° |
| C13 | C14 | H17 | H18 | 119.7° | 120.1° |
| C14 | C13 | H19 | H20 | 121.0° | 121.0° |
| C21 | C16 | C15 | C14 | 163.9° | 157.3° |
| C16 | C21 | C20 | H14 | 175.2° | 180.0° |
| C21 | C16 | C15 | H15 | 75.7° | 82.3° |
| C21 | C16 | C15 | H16 | 43.5° | 36.8° |
| C16 | C15 | C14 | H15 | 120.4° | 120.4° |
| C16 | C15 | C14 | H16 | 120.4° | 120.5° |
| C15 | C16 | C21 | H1 | 0.0° | 0.5° |
| C16 | C15 | H15 | H16 | 118.7° | 119.1° |
| C16 | C15 | C14 | H17 | 74.6° | 174.7° |
| C16 | C15 | C14 | H18 | 165.6° | 65.2° |
| C14 | C15 | H15 | H16 | 118.7° | 119.1° |
| C15 | C14 | H17 | H18 | 119.7° | 120.0° |
| C15 | C14 | C13 | H19 | 176.9° | 55.5° |
| C15 | C14 | C13 | H20 | 56.2° | 176.5° |
| H1 | C21 | C20 | H14 | 4.9° | 0.0° |
| H2 | C31 | C32 | H11 | 0.2° | 0.3° |
| H4 | C28 | C29 | H6 | 169.5° | 180.0° |
| H4 | C28 | C29 | H7 | 70.0° | 60.0° |
| H5 | C28 | C29 | H6 | 49.1° | 60.0° |
| H5 | C28 | C29 | H7 | 169.6° | 180.0° |
| H8 | C35 | C34 | H9 | 1.1° | 0.1° |
| H9 | C34 | C33 | H10 | 0.4° | 0.0° |
| H10 | C33 | C32 | H11 | 0.8° | 0.3° |
| H12 | C24 | C23 | H13 | 2.1° | 0.0° |
| H15 | C15 | C14 | H17 | 165.0° | 54.3° |
| H15 | C15 | C14 | H18 | 45.2° | 174.4° |
| H16 | C15 | C14 | H17 | 45.8° | 64.8° |
| H16 | C15 | C14 | H18 | 74.0° | 55.3° |
| H17 | C14 | C13 | H19 | 63.0° | 64.5° |
| H17 | C14 | C13 | H20 | 176.3° | 56.5° |
| H18 | C14 | C13 | H19 | 56.8° | 175.5° |
| H18 | C14 | C13 | H20 | 63.9° | 63.6° |
| H24 | N1 | C7 | H25 | 166.3° | 120.0° |
| H24 | N1 | C7 | H26 | 48.5° | 119.9° |
| H27 | C3 | C1 | H28 | 2.0° | 0.1° |
| H28 | C1 | C2 | H31 | 0.5° | 0.0° |
| H29 | C5 | C6 | H30 | 1.7° | 0.0° |
| H30 | C6 | C2 | H31 | 0.6° | 0.0° |
