VFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C22 | doub | 1.29Å | 1.30Å | Aromatic |
| N4 | C20 | sing | 1.31Å | 1.36Å | Aromatic |
| C22 | S1 | sing | 1.71Å | 1.70Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | doub | 1.35Å | 1.38Å | Aromatic |
| S1 | C19 | sing | 1.76Å | 1.73Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.48Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| F2 | C17 | sing | 1.35Å | 1.35Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C14 | sing | 1.52Å | 1.52Å | |
| C14 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C13 | sing | 1.35Å | 1.34Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | C10 | sing | 1.55Å | 1.52Å | |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| O1 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C8 | sing | 1.35Å | 1.34Å | |
| O3 | C8 | doub | 1.21Å | 1.22Å | |
| C8 | C3 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| F1 | C1 | sing | 1.40Å | 1.37Å | |
| C2 | O4 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C29 | sing | 1.53Å | 1.50Å | |
| C1 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.48Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| N1 | H34 | sing | 0.97Å | 1.00Å | |
| N3 | H35 | sing | 0.97Å | 1.00Å | |
| O1 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N4 | C20 | 112.6° | 117.2° |
| N4 | C22 | S1 | 113.5° | 110.4° |
| N4 | C22 | H5 | 123.3° | 124.8° |
| N4 | C20 | C21 | 113.9° | 122.9° |
| N4 | C20 | C19 | 115.2° | 114.3° |
| C22 | S1 | C19 | 91.1° | 90.4° |
| S1 | C22 | H5 | 123.2° | 124.8° |
| C21 | C20 | C19 | 130.9° | 122.8° |
| C20 | C21 | H2 | 109.5° | 109.5° |
| C20 | C21 | H3 | 109.5° | 109.5° |
| C20 | C21 | H4 | 109.5° | 109.5° |
| C20 | C19 | S1 | 107.7° | 107.7° |
| C20 | C19 | C18 | 132.5° | 126.1° |
| S1 | C19 | C18 | 119.7° | 126.1° |
| C19 | C18 | C23 | 120.0° | 120.3° |
| C19 | C18 | C17 | 121.3° | 120.3° |
| C23 | C18 | C17 | 118.6° | 119.4° |
| C18 | C23 | C24 | 121.1° | 120.5° |
| C18 | C23 | H6 | 119.5° | 119.7° |
| C18 | C17 | F2 | 120.0° | 120.2° |
| C18 | C17 | C16 | 120.9° | 119.6° |
| C23 | C24 | C25 | 119.6° | 117.6° |
| C23 | C24 | C15 | 119.3° | 119.9° |
| C24 | C23 | H6 | 119.4° | 119.8° |
| F2 | C17 | C16 | 119.1° | 120.2° |
| C17 | C16 | C15 | 120.2° | 120.7° |
| C17 | C16 | H1 | 119.9° | 119.7° |
| C25 | C24 | C15 | 121.1° | 122.5° |
| C24 | C25 | C26 | 117.3° | 110.6° |
| C24 | C25 | H7 | 107.5° | 109.3° |
| C24 | C25 | H8 | 107.5° | 109.2° |
| C24 | C15 | C16 | 119.8° | 119.9° |
| C24 | C15 | C14 | 119.6° | 122.5° |
| C25 | C26 | C27 | 110.7° | 108.4° |
| C26 | C25 | H7 | 107.5° | 109.3° |
| C26 | C25 | H8 | 107.5° | 109.2° |
| C25 | C26 | H9 | 109.2° | 109.7° |
| C25 | C26 | H10 | 109.2° | 109.7° |
| C16 | C15 | C14 | 120.6° | 117.6° |
| C15 | C16 | H1 | 119.9° | 119.6° |
| C15 | C14 | C27 | 111.0° | 110.7° |
| C15 | C14 | N3 | 113.8° | 109.2° |
| C15 | C14 | H19 | 106.3° | 109.3° |
| C26 | C27 | C14 | 109.8° | 108.7° |
| C27 | C26 | H9 | 109.2° | 109.7° |
| C27 | C26 | H10 | 109.1° | 109.7° |
| C26 | C27 | H11 | 109.4° | 109.7° |
| C26 | C27 | H12 | 109.4° | 109.7° |
| C27 | C14 | N3 | 112.0° | 109.6° |
| C14 | C27 | H11 | 109.4° | 109.3° |
| C14 | C27 | H12 | 109.4° | 109.8° |
| C27 | C14 | H19 | 106.2° | 108.8° |
| C14 | N3 | C13 | 117.6° | 120.0° |
| N3 | C14 | H19 | 107.0° | 109.2° |
| C14 | N3 | H35 | 121.2° | 120.0° |
| N3 | C13 | O2 | 123.2° | 120.0° |
| N3 | C13 | C12 | 118.2° | 120.0° |
| C13 | N3 | H35 | 121.2° | 120.0° |
| O2 | C13 | C12 | 118.5° | 120.0° |
| C13 | C12 | C11 | 109.1° | 109.9° |
| C13 | C12 | N2 | 116.7° | 109.9° |
| C13 | C12 | H18 | 108.9° | 110.0° |
| C12 | C11 | C10 | 102.9° | 102.9° |
| C11 | C12 | N2 | 103.3° | 107.3° |
| C12 | C11 | H16 | 111.1° | 110.7° |
| C12 | C11 | H17 | 111.1° | 110.7° |
| C11 | C12 | H18 | 108.8° | 109.8° |
| C11 | C10 | O1 | 108.7° | 111.0° |
| C11 | C10 | C9 | 101.8° | 101.6° |
| C11 | C10 | H15 | 111.5° | 111.0° |
| C10 | C11 | H16 | 111.1° | 110.7° |
| C10 | C11 | H17 | 111.1° | 110.7° |
| C12 | N2 | C9 | 111.5° | 108.7° |
| C12 | N2 | C8 | 121.2° | 125.6° |
| N2 | C12 | H18 | 109.7° | 109.9° |
| O1 | C10 | C9 | 109.5° | 111.0° |
| O1 | C10 | H15 | 113.1° | 110.8° |
| C10 | O1 | H36 | 109.5° | 114.0° |
| C10 | C9 | N2 | 102.1° | 104.8° |
| C9 | C10 | H15 | 111.5° | 111.0° |
| C10 | C9 | H32 | 111.3° | 110.4° |
| C10 | C9 | H33 | 111.3° | 110.4° |
| C9 | N2 | C8 | 127.4° | 125.7° |
| N2 | C9 | H32 | 111.3° | 110.3° |
| N2 | C9 | H33 | 111.3° | 110.5° |
| N2 | C8 | O3 | 121.5° | 120.0° |
| N2 | C8 | C3 | 118.1° | 119.9° |
| O3 | C8 | C3 | 120.4° | 120.0° |
| C8 | C3 | C4 | 114.6° | 109.5° |
| C8 | C3 | N1 | 109.8° | 109.4° |
| C8 | C3 | H22 | 107.5° | 109.5° |
| C5 | C4 | C3 | 111.1° | 109.5° |
| C5 | C4 | C6 | 108.8° | 109.5° |
| C5 | C4 | C7 | 108.8° | 109.5° |
| C4 | C5 | H23 | 109.5° | 109.5° |
| C4 | C5 | H24 | 109.5° | 109.5° |
| C4 | C5 | H25 | 109.4° | 109.5° |
| C4 | C3 | N1 | 108.9° | 109.5° |
| C3 | C4 | C6 | 109.9° | 109.5° |
| C3 | C4 | C7 | 109.2° | 109.4° |
| C4 | C3 | H22 | 107.3° | 109.5° |
| C3 | N1 | C2 | 121.7° | 120.0° |
| N1 | C3 | H22 | 108.5° | 109.5° |
| C3 | N1 | H34 | 119.2° | 120.0° |
| C6 | C4 | C7 | 109.0° | 109.5° |
| C4 | C6 | H26 | 109.5° | 109.5° |
| C4 | C6 | H27 | 109.4° | 109.5° |
| C4 | C6 | H28 | 109.4° | 109.5° |
| C4 | C7 | H29 | 109.5° | 109.5° |
| C4 | C7 | H30 | 109.5° | 109.4° |
| C4 | C7 | H31 | 109.5° | 109.5° |
| N1 | C2 | O4 | 125.3° | 120.0° |
| N1 | C2 | C1 | 114.1° | 120.0° |
| C2 | N1 | H34 | 119.1° | 120.0° |
| F1 | C1 | C2 | 114.4° | 115.6° |
| F1 | C1 | C29 | 115.7° | 117.5° |
| F1 | C1 | C28 | 116.5° | 117.5° |
| O4 | C2 | C1 | 120.6° | 120.0° |
| C2 | C1 | C29 | 119.9° | 117.5° |
| C2 | C1 | C28 | 120.2° | 117.5° |
| C29 | C1 | C28 | 59.3° | 60.0° |
| C1 | C29 | C28 | 60.4° | 60.0° |
| C1 | C29 | H20 | 119.9° | 117.5° |
| C1 | C29 | H21 | 119.9° | 117.5° |
| C1 | C28 | C29 | 60.3° | 60.1° |
| C1 | C28 | H13 | 120.0° | 117.5° |
| C1 | C28 | H14 | 119.9° | 117.5° |
| C29 | C28 | H13 | 119.9° | 117.5° |
| C29 | C28 | H14 | 120.0° | 117.5° |
| C28 | C29 | H20 | 119.9° | 117.5° |
| C28 | C29 | H21 | 119.9° | 117.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H4 | 109.4° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.4° |
| H7 | C25 | H8 | 109.4° | 109.2° |
| H9 | C26 | H10 | 109.5° | 109.7° |
| H11 | C27 | H12 | 109.4° | 109.7° |
| H13 | C28 | H14 | 109.5° | 115.5° |
| H16 | C11 | H17 | 109.5° | 110.8° |
| H20 | C29 | H21 | 109.5° | 115.5° |
| H23 | C5 | H24 | 109.5° | 109.5° |
| H23 | C5 | H25 | 109.5° | 109.5° |
| H24 | C5 | H25 | 109.5° | 109.5° |
| H26 | C6 | H27 | 109.5° | 109.5° |
| H26 | C6 | H28 | 109.5° | 109.4° |
| H27 | C6 | H28 | 109.5° | 109.5° |
| H29 | C7 | H30 | 109.5° | 109.5° |
| H29 | C7 | H31 | 109.4° | 109.5° |
| H30 | C7 | H31 | 109.5° | 109.4° |
| H32 | C9 | H33 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C22 | S1 | H5 | 180.0° | 179.7° |
| C22 | N4 | C20 | C21 | 179.9° | 180.0° |
| C22 | N4 | C20 | C19 | 0.9° | 0.0° |
| N4 | C22 | S1 | C19 | 0.7° | 0.3° |
| C20 | N4 | C22 | S1 | 0.1° | 0.3° |
| N4 | C20 | C21 | C19 | 179.1° | 180.0° |
| N4 | C20 | C19 | S1 | 1.3° | 0.3° |
| N4 | C20 | C19 | C18 | 178.3° | 180.0° |
| N4 | C20 | C21 | H2 | 0.0° | 85.4° |
| N4 | C20 | C21 | H3 | 120.0° | 34.6° |
| N4 | C20 | C21 | H4 | 120.0° | 154.6° |
| C20 | N4 | C22 | H5 | 179.9° | 179.9° |
| C22 | S1 | C19 | C20 | 1.1° | 0.3° |
| C22 | S1 | C19 | C18 | 178.5° | 180.0° |
| C21 | C20 | C19 | S1 | 179.6° | 179.7° |
| C21 | C20 | C19 | C18 | 2.6° | 0.0° |
| C20 | C21 | H2 | H3 | 120.0° | 120.0° |
| C20 | C21 | H2 | H4 | 120.0° | 120.0° |
| C20 | C21 | H3 | H4 | 120.0° | 120.0° |
| C20 | C19 | S1 | C18 | 177.4° | 179.7° |
| C20 | C19 | C18 | C23 | 15.3° | 48.0° |
| C20 | C19 | C18 | C17 | 164.7° | 132.2° |
| C19 | C20 | C21 | H2 | 179.1° | 94.6° |
| C19 | C20 | C21 | H3 | 60.9° | 145.4° |
| C19 | C20 | C21 | H4 | 59.1° | 25.4° |
| S1 | C19 | C18 | C23 | 161.3° | 131.7° |
| S1 | C19 | C18 | C17 | 18.6° | 48.1° |
| C19 | S1 | C22 | H5 | 179.3° | 180.0° |
| C19 | C18 | C23 | C17 | 179.9° | 179.8° |
| C19 | C18 | C23 | C24 | 179.1° | 179.9° |
| C19 | C18 | C17 | F2 | 0.3° | 0.1° |
| C19 | C18 | C17 | C16 | 179.6° | 180.0° |
| C19 | C18 | C23 | H6 | 0.9° | 0.1° |
| C18 | C23 | C24 | H6 | 180.0° | 179.8° |
| C23 | C18 | C17 | F2 | 179.8° | 179.8° |
| C23 | C18 | C17 | C16 | 0.4° | 0.2° |
| C18 | C23 | C24 | C25 | 179.9° | 179.7° |
| C18 | C23 | C24 | C15 | 0.9° | 0.3° |
| C17 | C18 | C23 | C24 | 0.8° | 0.3° |
| C18 | C17 | F2 | C16 | 179.9° | 179.9° |
| C18 | C17 | C16 | C15 | 0.0° | 0.1° |
| C18 | C17 | C16 | H1 | 180.0° | 180.0° |
| C17 | C18 | C23 | H6 | 179.2° | 179.9° |
| C23 | C24 | C25 | C15 | 178.9° | 179.4° |
| C23 | C24 | C25 | C26 | 179.9° | 162.6° |
| C23 | C24 | C15 | C16 | 0.6° | 0.2° |
| C23 | C24 | C15 | C14 | 179.9° | 179.8° |
| C23 | C24 | C25 | H7 | 58.8° | 77.1° |
| C23 | C24 | C25 | H8 | 58.9° | 42.3° |
| F2 | C17 | C16 | C15 | 179.9° | 180.0° |
| F2 | C17 | C16 | H1 | 0.1° | 0.0° |
| C17 | C16 | C15 | C24 | 0.1° | 0.1° |
| C17 | C16 | C15 | H1 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.6° | 179.8° |
| C24 | C25 | C26 | H7 | 121.1° | 120.3° |
| C24 | C25 | C26 | H8 | 121.2° | 120.3° |
| C25 | C24 | C15 | C16 | 179.5° | 179.5° |
| C25 | C24 | C15 | C14 | 1.0° | 0.8° |
| C24 | C25 | C26 | C27 | 30.2° | 51.1° |
| C25 | C24 | C23 | H6 | 0.1° | 0.5° |
| C24 | C25 | H7 | H8 | 116.4° | 119.4° |
| C24 | C25 | C26 | H9 | 150.4° | 170.8° |
| C24 | C25 | C26 | H10 | 90.0° | 68.6° |
| C15 | C24 | C25 | C26 | 1.0° | 18.1° |
| C24 | C15 | C16 | C14 | 179.5° | 179.7° |
| C24 | C15 | C14 | C27 | 30.0° | 17.5° |
| C24 | C15 | C14 | N3 | 157.5° | 138.2° |
| C24 | C15 | C16 | H1 | 179.9° | 180.0° |
| C15 | C24 | C23 | H6 | 179.1° | 179.9° |
| C15 | C24 | C25 | H7 | 120.1° | 102.2° |
| C15 | C24 | C25 | H8 | 122.2° | 138.4° |
| C24 | C15 | C14 | H19 | 85.0° | 102.3° |
| C25 | C26 | C27 | H9 | 120.2° | 119.7° |
| C25 | C26 | C27 | H10 | 120.2° | 119.7° |
| C25 | C26 | C27 | C14 | 59.1° | 69.6° |
| C26 | C25 | H7 | H8 | 116.4° | 119.4° |
| C25 | C26 | H9 | H10 | 119.4° | 120.6° |
| C25 | C26 | C27 | H11 | 60.9° | 49.8° |
| C25 | C26 | C27 | H12 | 179.2° | 170.2° |
| C16 | C15 | C14 | C27 | 150.5° | 162.9° |
| C16 | C15 | C14 | N3 | 23.0° | 42.1° |
| C16 | C15 | C14 | H19 | 94.4° | 77.3° |
| C15 | C14 | C27 | C26 | 59.3° | 50.7° |
| C15 | C14 | C27 | N3 | 128.5° | 120.5° |
| C15 | C14 | C27 | H19 | 115.1° | 120.1° |
| C15 | C14 | N3 | H19 | 117.0° | 119.4° |
| C15 | C14 | N3 | C13 | 114.4° | 85.1° |
| C14 | C15 | C16 | H1 | 0.4° | 0.3° |
| C15 | C14 | C27 | H11 | 60.8° | 68.9° |
| C15 | C14 | C27 | H12 | 179.3° | 170.8° |
| C15 | C14 | N3 | H35 | 65.6° | 95.1° |
| C26 | C27 | C14 | H11 | 120.1° | 119.7° |
| C26 | C27 | C14 | H12 | 120.1° | 120.0° |
| C26 | C27 | C14 | N3 | 172.2° | 171.2° |
| C27 | C26 | C25 | H7 | 90.9° | 69.2° |
| C27 | C26 | C25 | H8 | 151.4° | 171.4° |
| C27 | C26 | H9 | H10 | 119.4° | 120.5° |
| C26 | C27 | H11 | H12 | 119.8° | 120.5° |
| C26 | C27 | C14 | H19 | 55.8° | 69.3° |
| C27 | C14 | N3 | H19 | 116.0° | 119.2° |
| C27 | C14 | N3 | C13 | 118.6° | 153.5° |
| C14 | C27 | C26 | H9 | 179.4° | 170.6° |
| C14 | C27 | C26 | H10 | 61.0° | 50.1° |
| C14 | C27 | H11 | H12 | 119.9° | 120.4° |
| C27 | C14 | N3 | H35 | 61.4° | 26.3° |
| C14 | N3 | C13 | H35 | 180.0° | 179.8° |
| C14 | N3 | C13 | O2 | 3.9° | 0.1° |
| C14 | N3 | C13 | C12 | 174.6° | 179.9° |
| N3 | C14 | C27 | H11 | 67.7° | 51.6° |
| N3 | C14 | C27 | H12 | 52.2° | 68.7° |
| N3 | C13 | O2 | C12 | 178.5° | 180.0° |
| N3 | C13 | C12 | C11 | 88.0° | 61.4° |
| N3 | C13 | C12 | N2 | 155.4° | 179.2° |
| N3 | C13 | C12 | H18 | 30.6° | 59.6° |
| C13 | N3 | C14 | H19 | 2.7° | 34.3° |
| O2 | C13 | C12 | C11 | 90.6° | 118.6° |
| O2 | C13 | C12 | N2 | 26.0° | 0.8° |
| O2 | C13 | C12 | H18 | 150.8° | 120.4° |
| O2 | C13 | N3 | H35 | 176.1° | 179.9° |
| C13 | C12 | C11 | N2 | 124.8° | 119.4° |
| C13 | C12 | C11 | H18 | 118.7° | 121.1° |
| C13 | C12 | C11 | C10 | 153.8° | 97.2° |
| C13 | C12 | N2 | H18 | 124.4° | 121.2° |
| C13 | C12 | N2 | C9 | 124.3° | 120.5° |
| C13 | C12 | N2 | C8 | 55.1° | 59.5° |
| C13 | C12 | C11 | H16 | 34.9° | 144.4° |
| C13 | C12 | C11 | H17 | 87.2° | 21.1° |
| C12 | C13 | N3 | H35 | 5.4° | 0.1° |
| C12 | C11 | C10 | H16 | 118.9° | 118.3° |
| C12 | C11 | C10 | H17 | 118.9° | 118.4° |
| C11 | C12 | N2 | H18 | 115.9° | 119.4° |
| C12 | C11 | C10 | O1 | 73.2° | 153.6° |
| C12 | C11 | C10 | C9 | 42.3° | 35.5° |
| C11 | C12 | N2 | C9 | 4.6° | 1.1° |
| C11 | C12 | N2 | C8 | 174.9° | 178.9° |
| C12 | C11 | C10 | H15 | 161.3° | 82.6° |
| C12 | C11 | H16 | H17 | 123.0° | 123.2° |
| C10 | C11 | C12 | N2 | 29.0° | 22.2° |
| C11 | C10 | O1 | C9 | 110.4° | 112.3° |
| C11 | C10 | O1 | H15 | 124.5° | 123.8° |
| C11 | C10 | C9 | H15 | 119.0° | 118.1° |
| C11 | C10 | C9 | N2 | 38.8° | 37.0° |
| C10 | C11 | H16 | H17 | 123.1° | 123.3° |
| C10 | C11 | C12 | H18 | 87.5° | 141.6° |
| C11 | C10 | C9 | H32 | 80.0° | 155.8° |
| C11 | C10 | C9 | H33 | 157.6° | 81.9° |
| C11 | C10 | O1 | H36 | 180.0° | 173.7° |
| C12 | N2 | C9 | C10 | 21.6° | 24.1° |
| C12 | N2 | C9 | C8 | 179.4° | 179.9° |
| C12 | N2 | C8 | O3 | 3.3° | 4.4° |
| C12 | N2 | C8 | C3 | 177.3° | 175.5° |
| N2 | C12 | C11 | H16 | 89.9° | 96.2° |
| N2 | C12 | C11 | H17 | 148.0° | 140.6° |
| C12 | N2 | C9 | H32 | 97.2° | 143.0° |
| C12 | N2 | C9 | H33 | 140.4° | 94.8° |
| O1 | C10 | C9 | H15 | 126.0° | 123.8° |
| O1 | C10 | C9 | N2 | 76.2° | 155.1° |
| O1 | C10 | C11 | H16 | 167.8° | 35.3° |
| O1 | C10 | C11 | H17 | 45.7° | 88.0° |
| O1 | C10 | C9 | H32 | 165.1° | 86.0° |
| O1 | C10 | C9 | H33 | 42.6° | 36.2° |
| C10 | C9 | N2 | H32 | 118.8° | 118.9° |
| C10 | C9 | N2 | H33 | 118.8° | 118.9° |
| C10 | C9 | N2 | C8 | 159.0° | 155.8° |
| C9 | C10 | C11 | H16 | 76.6° | 82.8° |
| C9 | C10 | C11 | H17 | 161.2° | 153.9° |
| C10 | C9 | H32 | H33 | 123.5° | 122.3° |
| C9 | C10 | O1 | H36 | 69.6° | 61.4° |
| C9 | N2 | C8 | O3 | 177.4° | 175.5° |
| C9 | N2 | C8 | C3 | 2.1° | 4.5° |
| N2 | C9 | C10 | H15 | 157.9° | 81.1° |
| C9 | N2 | C12 | H18 | 111.3° | 118.3° |
| N2 | C9 | H32 | H33 | 123.4° | 122.3° |
| N2 | C8 | O3 | C3 | 179.5° | 180.0° |
| N2 | C8 | C3 | C4 | 102.9° | 99.3° |
| N2 | C8 | C3 | N1 | 134.1° | 140.7° |
| C8 | N2 | C12 | H18 | 69.3° | 61.7° |
| N2 | C8 | C3 | H22 | 16.3° | 20.7° |
| C8 | N2 | C9 | H32 | 82.2° | 37.0° |
| C8 | N2 | C9 | H33 | 40.2° | 85.3° |
| O3 | C8 | C3 | C4 | 77.6° | 80.7° |
| O3 | C8 | C3 | N1 | 45.4° | 39.2° |
| O3 | C8 | C3 | H22 | 163.2° | 159.2° |
| C8 | C3 | C4 | C5 | 46.4° | 174.9° |
| C8 | C3 | C4 | N1 | 123.5° | 119.9° |
| C8 | C3 | C4 | H22 | 119.3° | 120.0° |
| C8 | C3 | N1 | H22 | 117.2° | 120.0° |
| C8 | C3 | C4 | C6 | 74.0° | 65.1° |
| C8 | C3 | C4 | C7 | 166.5° | 54.9° |
| C8 | C3 | N1 | C2 | 110.2° | 155.0° |
| C8 | C3 | N1 | H34 | 69.8° | 24.9° |
| C5 | C4 | C3 | C6 | 120.5° | 120.0° |
| C5 | C4 | C3 | C7 | 120.0° | 120.0° |
| C5 | C4 | C3 | N1 | 169.9° | 65.2° |
| C5 | C4 | C6 | C7 | 118.5° | 120.0° |
| C5 | C4 | C3 | H22 | 72.9° | 54.9° |
| C4 | C5 | H23 | H24 | 120.0° | 120.0° |
| C4 | C5 | H23 | H25 | 120.0° | 120.0° |
| C4 | C5 | H24 | H25 | 119.9° | 120.0° |
| C5 | C4 | C6 | H26 | 180.0° | 180.0° |
| C5 | C4 | C6 | H27 | 60.0° | 60.0° |
| C5 | C4 | C6 | H28 | 60.0° | 60.0° |
| C5 | C4 | C7 | H29 | 180.0° | 55.1° |
| C5 | C4 | C7 | H30 | 60.0° | 64.9° |
| C5 | C4 | C7 | H31 | 60.0° | 175.2° |
| C4 | C3 | N1 | H22 | 116.4° | 120.0° |
| C3 | C4 | C6 | C7 | 119.6° | 120.0° |
| C4 | C3 | N1 | C2 | 123.5° | 85.0° |
| C3 | C4 | C5 | H23 | 180.0° | 60.0° |
| C3 | C4 | C5 | H24 | 60.0° | 180.0° |
| C3 | C4 | C5 | H25 | 60.0° | 60.0° |
| C3 | C4 | C6 | H26 | 58.2° | 60.0° |
| C3 | C4 | C6 | H27 | 61.9° | 180.0° |
| C3 | C4 | C6 | H28 | 178.2° | 60.0° |
| C3 | C4 | C7 | H29 | 58.6° | 64.9° |
| C3 | C4 | C7 | H30 | 178.6° | 175.1° |
| C3 | C4 | C7 | H31 | 61.4° | 55.2° |
| C4 | C3 | N1 | H34 | 56.5° | 95.0° |
| N1 | C3 | C4 | C6 | 49.5° | 54.8° |
| N1 | C3 | C4 | C7 | 70.1° | 174.8° |
| C3 | N1 | C2 | H34 | 180.0° | 179.9° |
| C3 | N1 | C2 | O4 | 2.8° | 0.1° |
| C3 | N1 | C2 | C1 | 176.5° | 180.0° |
| C6 | C4 | C3 | H22 | 166.7° | 174.9° |
| C6 | C4 | C5 | H23 | 58.9° | 60.0° |
| C6 | C4 | C5 | H24 | 61.1° | 60.0° |
| C6 | C4 | C5 | H25 | 178.9° | 180.0° |
| C4 | C6 | H26 | H27 | 120.0° | 120.0° |
| C4 | C6 | H26 | H28 | 120.0° | 120.0° |
| C4 | C6 | H27 | H28 | 119.9° | 120.0° |
| C6 | C4 | C7 | H29 | 61.5° | 175.1° |
| C6 | C4 | C7 | H30 | 58.5° | 55.1° |
| C6 | C4 | C7 | H31 | 178.5° | 64.8° |
| C7 | C4 | C3 | H22 | 47.1° | 65.1° |
| C7 | C4 | C5 | H23 | 59.8° | 180.0° |
| C7 | C4 | C5 | H24 | 179.8° | 60.0° |
| C7 | C4 | C5 | H25 | 60.2° | 60.0° |
| C7 | C4 | C6 | H26 | 61.4° | 60.0° |
| C7 | C4 | C6 | H27 | 178.5° | 60.0° |
| C7 | C4 | C6 | H28 | 58.6° | 180.0° |
| C4 | C7 | H29 | H30 | 120.0° | 120.0° |
| C4 | C7 | H29 | H31 | 120.0° | 120.1° |
| C4 | C7 | H30 | H31 | 120.0° | 120.0° |
| N1 | C2 | C1 | F1 | 30.7° | 24.4° |
| N1 | C2 | O4 | C1 | 179.3° | 179.9° |
| N1 | C2 | C1 | C29 | 174.7° | 170.0° |
| N1 | C2 | C1 | C28 | 115.5° | 121.4° |
| C2 | N1 | C3 | H22 | 7.1° | 35.0° |
| F1 | C1 | C2 | O4 | 148.7° | 155.7° |
| F1 | C1 | C2 | C29 | 144.1° | 145.6° |
| F1 | C1 | C2 | C28 | 146.2° | 145.8° |
| F1 | C1 | C29 | C28 | 106.9° | 107.5° |
| F1 | C1 | C28 | H13 | 4.0° | 0.1° |
| F1 | C1 | C28 | H14 | 144.9° | 145.1° |
| F1 | C1 | C29 | H20 | 143.5° | 0.0° |
| F1 | C1 | C29 | H21 | 2.6° | 145.0° |
| O4 | C2 | C1 | C29 | 4.6° | 10.1° |
| O4 | C2 | C1 | C28 | 65.1° | 58.5° |
| O4 | C2 | N1 | H34 | 177.2° | 180.0° |
| C2 | C1 | C29 | C28 | 109.4° | 107.5° |
| C2 | C1 | C28 | H13 | 141.5° | 145.1° |
| C2 | C1 | C28 | H14 | 0.6° | 0.1° |
| C2 | C1 | C29 | H20 | 0.1° | 145.0° |
| C2 | C1 | C29 | H21 | 141.0° | 0.0° |
| C1 | C2 | N1 | H34 | 3.5° | 0.1° |
| C1 | C29 | C28 | H20 | 109.6° | 107.5° |
| C1 | C29 | C28 | H21 | 109.6° | 107.5° |
| C29 | C1 | C28 | H13 | 109.5° | 107.5° |
| C29 | C1 | C28 | H14 | 109.6° | 107.5° |
| C1 | C29 | H20 | H21 | 144.6° | 145.7° |
| C1 | C28 | H13 | H14 | 144.6° | 145.7° |
| C29 | C28 | H13 | H14 | 144.6° | 145.6° |
| C28 | C29 | H20 | H21 | 144.5° | 145.7° |
| H2 | C21 | H3 | H4 | 119.9° | 120.0° |
| H7 | C25 | C26 | H9 | 29.3° | 50.5° |
| H7 | C25 | C26 | H10 | 148.9° | 171.1° |
| H8 | C25 | C26 | H9 | 88.4° | 68.9° |
| H8 | C25 | C26 | H10 | 31.2° | 51.7° |
| H9 | C26 | C27 | H11 | 59.3° | 69.9° |
| H9 | C26 | C27 | H12 | 60.6° | 50.5° |
| H10 | C26 | C27 | H11 | 178.9° | 169.5° |
| H10 | C26 | C27 | H12 | 59.0° | 70.1° |
| H11 | C27 | C14 | H19 | 175.9° | 171.0° |
| H12 | C27 | C14 | H19 | 64.3° | 50.7° |
| H13 | C28 | C29 | H20 | 140.8° | 0.0° |
| H13 | C28 | C29 | H21 | 0.0° | 144.9° |
| H14 | C28 | C29 | H20 | 0.1° | 144.9° |
| H14 | C28 | C29 | H21 | 140.9° | 0.1° |
| H15 | C10 | C11 | H16 | 42.4° | 159.1° |
| H15 | C10 | C11 | H17 | 79.8° | 35.8° |
| H15 | C10 | C9 | H32 | 39.1° | 37.7° |
| H15 | C10 | C9 | H33 | 83.3° | 160.0° |
| H15 | C10 | O1 | H36 | 55.5° | 62.5° |
| H16 | C11 | C12 | H18 | 153.6° | 23.3° |
| H17 | C11 | C12 | H18 | 31.5° | 100.0° |
| H19 | C14 | N3 | H35 | 177.3° | 145.5° |
| H22 | C3 | N1 | H34 | 173.0° | 144.9° |
| H23 | C5 | H24 | H25 | 120.0° | 120.0° |
| H26 | C6 | H27 | H28 | 120.0° | 120.0° |
| H29 | C7 | H30 | H31 | 120.0° | 120.0° |
