7S6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C10 | sing | 1.49Å | 1.46Å | |
| N3 | C11 | sing | 1.49Å | 1.48Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C13 | sing | 1.54Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| O3 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | N2 | sing | 1.35Å | 1.33Å | |
| C13 | C12 | sing | 1.54Å | 1.51Å | |
| C12 | F1 | sing | 1.40Å | 1.40Å | |
| N2 | C8 | sing | 1.46Å | 1.45Å | |
| C8 | C7 | sing | 1.54Å | 1.52Å | |
| C8 | C14 | sing | 1.55Å | 1.53Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C2 | sing | 1.55Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N4 | sing | 1.35Å | 1.33Å | |
| O2 | C3 | doub | 1.21Å | 1.24Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C34 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C33 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | trip | 1.17Å | 1.19Å | |
| C21 | C22 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | N5 | sing | 1.47Å | 1.46Å | |
| C30 | N5 | sing | 1.47Å | 1.46Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| N5 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | C28 | sing | 1.43Å | 1.42Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 1.01Å | 1.00Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.08Å | 1.08Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N3 | C11 | 108.7° | 104.2° |
| N3 | C10 | C9 | 113.8° | 110.4° |
| N3 | C10 | C13 | 100.6° | 104.6° |
| N3 | C10 | H13 | 110.6° | 110.5° |
| C10 | N3 | H14 | 109.7° | 111.0° |
| N3 | C11 | C12 | 105.4° | 104.6° |
| C11 | N3 | H14 | 109.7° | 111.1° |
| N3 | C11 | H16 | 110.5° | 110.4° |
| N3 | C11 | H17 | 110.5° | 110.4° |
| C9 | C10 | C13 | 112.1° | 110.4° |
| C10 | C9 | O3 | 122.4° | 120.0° |
| C10 | C9 | N2 | 115.0° | 120.0° |
| C9 | C10 | H13 | 109.7° | 110.4° |
| C10 | C13 | C12 | 103.5° | 105.1° |
| C13 | C10 | H13 | 109.7° | 110.4° |
| C10 | C13 | H19 | 111.0° | 110.3° |
| C10 | C13 | H20 | 110.9° | 110.3° |
| C11 | C12 | C13 | 104.7° | 105.1° |
| C11 | C12 | F1 | 109.8° | 110.3° |
| C12 | C11 | H16 | 110.5° | 110.4° |
| C12 | C11 | H17 | 110.5° | 110.4° |
| C11 | C12 | H18 | 110.9° | 110.4° |
| O3 | C9 | N2 | 122.5° | 120.0° |
| C9 | N2 | C8 | 122.6° | 120.0° |
| C9 | N2 | H12 | 118.7° | 120.0° |
| C13 | C12 | F1 | 107.3° | 110.3° |
| C13 | C12 | H18 | 111.0° | 110.4° |
| C12 | C13 | H19 | 110.9° | 110.4° |
| C12 | C13 | H20 | 110.9° | 110.3° |
| F1 | C12 | H18 | 112.8° | 110.3° |
| N2 | C8 | C7 | 113.3° | 110.7° |
| N2 | C8 | C14 | 112.9° | 110.8° |
| N2 | C8 | H11 | 109.6° | 110.8° |
| C8 | N2 | H12 | 118.7° | 120.0° |
| C7 | C8 | C14 | 103.8° | 103.0° |
| C8 | C7 | N1 | 103.0° | 107.3° |
| C8 | C7 | H9 | 111.1° | 109.9° |
| C8 | C7 | H10 | 111.1° | 110.0° |
| C7 | C8 | H11 | 108.6° | 110.7° |
| C8 | C14 | C2 | 103.2° | 101.5° |
| C14 | C8 | H11 | 108.4° | 110.7° |
| C8 | C14 | H21 | 111.0° | 110.9° |
| C8 | C14 | H22 | 111.0° | 111.0° |
| C7 | N1 | C2 | 112.6° | 108.7° |
| C7 | N1 | C3 | 121.9° | 125.7° |
| N1 | C7 | H9 | 111.1° | 109.9° |
| N1 | C7 | H10 | 111.1° | 109.9° |
| C14 | C2 | N1 | 103.6° | 104.9° |
| C14 | C2 | C1 | 110.6° | 110.3° |
| C14 | C2 | H1 | 109.1° | 110.4° |
| C2 | C14 | H21 | 111.0° | 111.2° |
| C2 | C14 | H22 | 111.0° | 111.0° |
| C2 | N1 | C3 | 125.3° | 125.6° |
| N1 | C2 | C1 | 114.1° | 110.4° |
| N1 | C2 | H1 | 110.0° | 110.4° |
| N1 | C3 | O2 | 119.9° | 120.0° |
| N1 | C3 | C4 | 119.0° | 120.0° |
| C2 | C1 | O1 | 122.0° | 119.9° |
| C2 | C1 | N4 | 114.2° | 120.0° |
| C1 | C2 | H1 | 109.2° | 110.3° |
| O1 | C1 | N4 | 123.8° | 120.0° |
| C1 | N4 | C15 | 122.2° | 120.0° |
| C1 | N4 | H23 | 118.9° | 120.0° |
| O2 | C3 | C4 | 121.1° | 120.0° |
| N4 | C15 | C16 | 111.9° | 109.5° |
| C15 | N4 | H23 | 118.9° | 119.9° |
| N4 | C15 | H24 | 108.9° | 109.4° |
| N4 | C15 | H25 | 108.9° | 109.5° |
| C3 | C4 | C6 | 110.0° | 109.5° |
| C3 | C4 | C5 | 109.0° | 109.4° |
| C3 | C4 | H2 | 109.0° | 109.4° |
| C15 | C16 | C34 | 121.1° | 119.8° |
| C15 | C16 | C17 | 120.3° | 119.8° |
| C16 | C15 | H24 | 108.9° | 109.5° |
| C16 | C15 | H25 | 108.9° | 109.5° |
| C16 | C34 | C33 | 120.6° | 120.2° |
| C34 | C16 | C17 | 118.6° | 120.3° |
| C16 | C34 | H44 | 119.7° | 119.9° |
| C34 | C33 | C19 | 120.4° | 119.8° |
| C34 | C33 | H43 | 119.8° | 120.1° |
| C33 | C34 | H44 | 119.7° | 119.9° |
| C16 | C17 | C18 | 121.1° | 120.2° |
| C16 | C17 | H26 | 119.5° | 119.9° |
| C6 | C4 | C5 | 110.8° | 109.5° |
| C6 | C4 | H2 | 109.0° | 109.5° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H7 | 109.5° | 109.4° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C5 | C4 | H2 | 109.0° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C33 | C19 | C18 | 118.5° | 119.7° |
| C33 | C19 | C20 | 119.5° | 120.2° |
| C19 | C33 | H43 | 119.8° | 120.1° |
| C17 | C18 | C19 | 120.8° | 119.9° |
| C18 | C17 | H26 | 119.5° | 120.0° |
| C17 | C18 | H27 | 119.6° | 120.1° |
| C18 | C19 | C20 | 122.0° | 120.2° |
| C19 | C18 | H27 | 119.6° | 120.1° |
| C19 | C20 | C21 | 174.7° | 180.0° |
| C20 | C21 | C22 | 175.3° | 180.0° |
| C21 | C22 | C23 | 122.6° | 120.1° |
| C21 | C22 | C32 | 118.7° | 120.2° |
| C22 | C23 | C24 | 120.1° | 119.8° |
| C23 | C22 | C32 | 118.7° | 119.7° |
| C22 | C23 | H28 | 120.0° | 120.1° |
| C23 | C24 | C25 | 120.8° | 120.2° |
| C24 | C23 | H28 | 119.9° | 120.1° |
| C23 | C24 | H29 | 119.6° | 119.9° |
| C22 | C32 | C31 | 120.9° | 119.8° |
| C22 | C32 | H42 | 119.5° | 120.1° |
| C24 | C25 | C31 | 118.8° | 120.3° |
| C24 | C25 | C26 | 120.6° | 119.8° |
| C25 | C24 | H29 | 119.6° | 119.9° |
| C32 | C31 | C25 | 120.6° | 120.2° |
| C32 | C31 | H41 | 119.7° | 119.9° |
| C31 | C32 | H42 | 119.6° | 120.1° |
| C31 | C25 | C26 | 120.5° | 119.8° |
| C25 | C31 | H41 | 119.7° | 119.9° |
| C25 | C26 | N5 | 114.8° | 109.4° |
| C25 | C26 | H30 | 108.1° | 109.5° |
| C25 | C26 | H31 | 108.1° | 109.4° |
| C26 | N5 | C30 | 113.4° | 111.0° |
| C26 | N5 | C27 | 113.2° | 111.0° |
| N5 | C26 | H30 | 108.1° | 109.5° |
| N5 | C26 | H31 | 108.1° | 109.5° |
| N5 | C30 | C29 | 109.3° | 109.3° |
| C30 | N5 | C27 | 109.4° | 110.7° |
| N5 | C30 | H39 | 109.5° | 109.5° |
| N5 | C30 | H40 | 109.5° | 109.5° |
| C30 | C29 | O4 | 112.1° | 109.3° |
| C30 | C29 | H37 | 108.8° | 109.5° |
| C30 | C29 | H38 | 108.8° | 109.6° |
| C29 | C30 | H39 | 109.5° | 109.5° |
| C29 | C30 | H40 | 109.5° | 109.5° |
| N5 | C27 | C28 | 109.6° | 109.3° |
| N5 | C27 | H33 | 109.4° | 109.5° |
| N5 | C27 | H34 | 109.5° | 109.5° |
| C27 | C28 | O4 | 111.5° | 109.2° |
| C28 | C27 | H33 | 109.4° | 109.5° |
| C28 | C27 | H34 | 109.4° | 109.5° |
| C27 | C28 | H35 | 108.9° | 109.5° |
| C27 | C28 | H36 | 109.0° | 109.5° |
| C29 | O4 | C28 | 110.6° | 113.8° |
| O4 | C29 | H37 | 108.8° | 109.5° |
| O4 | C29 | H38 | 108.8° | 109.5° |
| O4 | C28 | H35 | 108.9° | 109.6° |
| O4 | C28 | H36 | 108.9° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.9° |
| H16 | C11 | H17 | 109.5° | 110.4° |
| H19 | C13 | H20 | 109.4° | 110.3° |
| H21 | C14 | H22 | 109.5° | 110.9° |
| H24 | C15 | H25 | 109.4° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.4° | 109.6° |
| H39 | C30 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N3 | C11 | H14 | 119.9° | 119.6° |
| N3 | C10 | C9 | C13 | 113.3° | 115.2° |
| N3 | C10 | C9 | H13 | 124.5° | 122.5° |
| N3 | C10 | C13 | H13 | 116.6° | 118.8° |
| C10 | N3 | C11 | C12 | 17.2° | 39.4° |
| N3 | C10 | C9 | O3 | 2.3° | 15.2° |
| N3 | C10 | C9 | N2 | 179.5° | 164.8° |
| N3 | C10 | C13 | C12 | 41.0° | 23.8° |
| C10 | N3 | C11 | H16 | 136.5° | 79.4° |
| C10 | N3 | C11 | H17 | 102.1° | 158.2° |
| N3 | C10 | C13 | H19 | 160.0° | 95.1° |
| N3 | C10 | C13 | H20 | 78.1° | 142.7° |
| C11 | N3 | C10 | C9 | 84.0° | 158.2° |
| C11 | N3 | C10 | C13 | 36.1° | 39.4° |
| N3 | C11 | C12 | H16 | 119.3° | 118.8° |
| N3 | C11 | C12 | H17 | 119.4° | 118.8° |
| N3 | C11 | C12 | C13 | 9.5° | 23.8° |
| N3 | C11 | C12 | F1 | 105.4° | 95.0° |
| C11 | N3 | C10 | H13 | 152.0° | 79.4° |
| N3 | C11 | H16 | H17 | 121.9° | 122.4° |
| N3 | C11 | C12 | H18 | 129.3° | 142.8° |
| C9 | C10 | C13 | H13 | 122.2° | 122.4° |
| C10 | C9 | O3 | N2 | 178.0° | 179.9° |
| C9 | C10 | C13 | C12 | 80.3° | 142.6° |
| C10 | C9 | N2 | C8 | 174.1° | 180.0° |
| C10 | C9 | N2 | H12 | 5.9° | 0.1° |
| C9 | C10 | N3 | H14 | 156.2° | 82.1° |
| C9 | C10 | C13 | H19 | 38.8° | 23.7° |
| C9 | C10 | C13 | H20 | 160.7° | 98.5° |
| C10 | C13 | C12 | C11 | 31.3° | 0.0° |
| C13 | C10 | C9 | O3 | 115.7° | 100.0° |
| C13 | C10 | C9 | N2 | 66.2° | 80.1° |
| C10 | C13 | C12 | H19 | 119.1° | 118.9° |
| C10 | C13 | C12 | H20 | 119.1° | 118.9° |
| C10 | C13 | C12 | F1 | 85.3° | 118.9° |
| C13 | C10 | N3 | H14 | 83.8° | 159.1° |
| C10 | C13 | C12 | H18 | 151.0° | 119.0° |
| C10 | C13 | H19 | H20 | 122.7° | 122.1° |
| C11 | C12 | C13 | F1 | 116.7° | 118.9° |
| C11 | C12 | C13 | H18 | 119.7° | 119.0° |
| C11 | C12 | F1 | H18 | 124.3° | 122.2° |
| C12 | C11 | N3 | H14 | 102.7° | 159.0° |
| C12 | C11 | H16 | H17 | 121.9° | 122.4° |
| C11 | C12 | C13 | H19 | 150.4° | 118.9° |
| C11 | C12 | C13 | H20 | 87.7° | 118.9° |
| O3 | C9 | N2 | C8 | 4.1° | 0.1° |
| O3 | C9 | N2 | H12 | 176.0° | 180.0° |
| O3 | C9 | C10 | H13 | 122.2° | 137.6° |
| C9 | N2 | C8 | H12 | 180.0° | 179.9° |
| C9 | N2 | C8 | C7 | 171.6° | 86.5° |
| C9 | N2 | C8 | C14 | 70.8° | 159.9° |
| C9 | N2 | C8 | H11 | 50.1° | 36.7° |
| N2 | C9 | C10 | H13 | 56.0° | 42.3° |
| C13 | C12 | F1 | H18 | 122.5° | 122.2° |
| C12 | C13 | C10 | H13 | 157.6° | 95.0° |
| C13 | C12 | C11 | H16 | 109.8° | 94.9° |
| C13 | C12 | C11 | H17 | 128.9° | 142.6° |
| C12 | C13 | H19 | H20 | 122.7° | 122.2° |
| F1 | C12 | C11 | H16 | 135.3° | 146.2° |
| F1 | C12 | C11 | H17 | 14.0° | 23.8° |
| F1 | C12 | C13 | H19 | 33.7° | 0.0° |
| F1 | C12 | C13 | H20 | 155.6° | 122.2° |
| N2 | C8 | C7 | C14 | 122.8° | 118.4° |
| N2 | C8 | C7 | H11 | 122.0° | 123.3° |
| N2 | C8 | C14 | H11 | 121.6° | 123.3° |
| N2 | C8 | C7 | N1 | 91.6° | 140.6° |
| N2 | C8 | C14 | C2 | 85.5° | 153.8° |
| N2 | C8 | C7 | H9 | 149.5° | 21.1° |
| N2 | C8 | C7 | H10 | 27.4° | 99.9° |
| N2 | C8 | C14 | H21 | 33.4° | 88.0° |
| N2 | C8 | C14 | H22 | 155.5° | 35.8° |
| C7 | C8 | C14 | H11 | 115.3° | 118.3° |
| C8 | C7 | N1 | H9 | 119.0° | 119.4° |
| C8 | C7 | N1 | H10 | 119.0° | 119.5° |
| C7 | C8 | C14 | C2 | 37.5° | 35.4° |
| C8 | C7 | N1 | C2 | 13.6° | 1.0° |
| C8 | C7 | N1 | C3 | 170.9° | 178.9° |
| C8 | C7 | H9 | H10 | 123.0° | 121.1° |
| C7 | C8 | N2 | H12 | 8.4° | 93.6° |
| C7 | C8 | C14 | H21 | 156.5° | 153.6° |
| C7 | C8 | C14 | H22 | 81.5° | 82.6° |
| C14 | C8 | C7 | N1 | 31.2° | 22.1° |
| C8 | C14 | C2 | H21 | 119.0° | 118.0° |
| C8 | C14 | C2 | H22 | 119.0° | 118.0° |
| C8 | C14 | C2 | N1 | 28.8° | 36.9° |
| C8 | C14 | C2 | C1 | 93.9° | 155.8° |
| C8 | C14 | C2 | H1 | 145.9° | 82.0° |
| C14 | C8 | C7 | H9 | 87.8° | 97.3° |
| C14 | C8 | C7 | H10 | 150.2° | 141.6° |
| C14 | C8 | N2 | H12 | 109.2° | 20.0° |
| C8 | C14 | H21 | H22 | 122.9° | 123.8° |
| C7 | N1 | C2 | C14 | 9.7° | 24.1° |
| C7 | N1 | C2 | C3 | 175.3° | 180.0° |
| C7 | N1 | C2 | C1 | 110.7° | 142.9° |
| C7 | N1 | C3 | O2 | 0.5° | 176.0° |
| C7 | N1 | C3 | C4 | 177.9° | 4.0° |
| C7 | N1 | C2 | H1 | 126.2° | 94.8° |
| N1 | C7 | H9 | H10 | 123.0° | 121.1° |
| N1 | C7 | C8 | H11 | 146.4° | 96.2° |
| C14 | C2 | N1 | C1 | 120.3° | 118.9° |
| C14 | C2 | N1 | H1 | 116.5° | 118.9° |
| C14 | C2 | N1 | C3 | 165.6° | 155.9° |
| C14 | C2 | C1 | H1 | 120.1° | 122.2° |
| C14 | C2 | C1 | O1 | 108.7° | 98.5° |
| C14 | C2 | C1 | N4 | 71.5° | 81.8° |
| C2 | C14 | C8 | H11 | 152.9° | 82.9° |
| C2 | C14 | H21 | H22 | 122.9° | 124.0° |
| N1 | C2 | C1 | H1 | 123.5° | 122.3° |
| N1 | C2 | C1 | O1 | 7.6° | 17.1° |
| N1 | C2 | C1 | N4 | 172.2° | 162.7° |
| C2 | N1 | C3 | O2 | 174.4° | 3.9° |
| C2 | N1 | C3 | C4 | 3.0° | 176.0° |
| C2 | N1 | C7 | H9 | 105.4° | 120.4° |
| C2 | N1 | C7 | H10 | 132.6° | 118.5° |
| N1 | C2 | C14 | H21 | 147.7° | 154.9° |
| N1 | C2 | C14 | H22 | 90.2° | 81.1° |
| C3 | N1 | C2 | C1 | 74.0° | 37.0° |
| N1 | C3 | O2 | C4 | 177.3° | 180.0° |
| N1 | C3 | C4 | C6 | 135.0° | 146.0° |
| N1 | C3 | C4 | C5 | 103.3° | 94.0° |
| C3 | N1 | C2 | H1 | 49.1° | 85.2° |
| N1 | C3 | C4 | H2 | 15.6° | 26.0° |
| C3 | N1 | C7 | H9 | 70.1° | 59.5° |
| C3 | N1 | C7 | H10 | 52.0° | 61.5° |
| C2 | C1 | O1 | N4 | 179.8° | 179.7° |
| C2 | C1 | N4 | C15 | 178.8° | 179.7° |
| C1 | C2 | C14 | H21 | 25.1° | 86.2° |
| C1 | C2 | C14 | H22 | 147.1° | 37.8° |
| C2 | C1 | N4 | H23 | 1.2° | 0.3° |
| O1 | C1 | N4 | C15 | 1.0° | 0.0° |
| O1 | C1 | C2 | H1 | 131.1° | 139.3° |
| O1 | C1 | N4 | H23 | 179.0° | 180.0° |
| C1 | N4 | C15 | H23 | 180.0° | 180.0° |
| C1 | N4 | C15 | C16 | 159.2° | 180.0° |
| N4 | C1 | C2 | H1 | 48.7° | 40.4° |
| C1 | N4 | C15 | H24 | 38.8° | 60.0° |
| C1 | N4 | C15 | H25 | 80.4° | 60.0° |
| O2 | C3 | C4 | C6 | 47.6° | 34.0° |
| O2 | C3 | C4 | C5 | 74.1° | 86.0° |
| O2 | C3 | C4 | H2 | 167.1° | 154.0° |
| N4 | C15 | C16 | H24 | 120.4° | 120.0° |
| N4 | C15 | C16 | H25 | 120.4° | 120.0° |
| N4 | C15 | C16 | C34 | 65.6° | 90.3° |
| N4 | C15 | C16 | C17 | 113.7° | 90.0° |
| N4 | C15 | H24 | H25 | 118.9° | 120.0° |
| C3 | C4 | C6 | C5 | 120.6° | 120.0° |
| C3 | C4 | C6 | H2 | 119.5° | 120.0° |
| C3 | C4 | C5 | H2 | 118.9° | 119.9° |
| C3 | C4 | C5 | H3 | 180.0° | 175.2° |
| C3 | C4 | C5 | H4 | 60.0° | 55.2° |
| C3 | C4 | C5 | H5 | 60.0° | 64.8° |
| C3 | C4 | C6 | H6 | 180.0° | 60.0° |
| C3 | C4 | C6 | H7 | 60.0° | 180.0° |
| C3 | C4 | C6 | H8 | 60.0° | 60.0° |
| C15 | C16 | C34 | C17 | 179.3° | 179.7° |
| C15 | C16 | C34 | C33 | 179.7° | 179.8° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C16 | C15 | N4 | H23 | 20.8° | 0.0° |
| C16 | C15 | H24 | H25 | 118.9° | 120.0° |
| C15 | C16 | C17 | H26 | 0.4° | 0.0° |
| C15 | C16 | C34 | H44 | 0.3° | 0.0° |
| C16 | C34 | C33 | H44 | 180.0° | 179.8° |
| C16 | C34 | C33 | C19 | 0.2° | 0.5° |
| C34 | C16 | C17 | C18 | 0.3° | 0.3° |
| C34 | C16 | C15 | H24 | 174.0° | 149.7° |
| C34 | C16 | C15 | H25 | 54.8° | 29.7° |
| C34 | C16 | C17 | H26 | 179.7° | 179.7° |
| C16 | C34 | C33 | H43 | 179.8° | 179.7° |
| C33 | C34 | C16 | C17 | 0.4° | 0.6° |
| C34 | C33 | C19 | H43 | 180.0° | 179.8° |
| C34 | C33 | C19 | C18 | 0.2° | 0.2° |
| C34 | C33 | C19 | C20 | 179.9° | 179.8° |
| C16 | C17 | C18 | H26 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | C15 | H24 | 6.7° | 29.9° |
| C17 | C16 | C15 | H25 | 125.9° | 150.0° |
| C16 | C17 | C18 | H27 | 180.0° | 179.9° |
| C17 | C16 | C34 | H44 | 179.6° | 179.7° |
| C6 | C4 | C5 | H2 | 120.0° | 120.0° |
| C6 | C4 | C5 | H3 | 58.9° | 64.8° |
| C6 | C4 | C5 | H4 | 178.9° | 175.2° |
| C6 | C4 | C5 | H5 | 61.1° | 55.2° |
| C4 | C6 | H6 | H7 | 120.0° | 119.9° |
| C4 | C6 | H6 | H8 | 120.0° | 120.0° |
| C4 | C6 | H7 | H8 | 120.0° | 119.9° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C5 | C4 | C6 | H6 | 59.4° | 180.0° |
| C5 | C4 | C6 | H7 | 60.6° | 60.0° |
| C5 | C4 | C6 | H8 | 179.4° | 59.9° |
| C33 | C19 | C18 | C17 | 0.3° | 0.0° |
| C33 | C19 | C18 | C20 | 179.9° | 180.0° |
| C33 | C19 | C20 | C21 | 142.5° | 40.2° |
| C33 | C19 | C18 | H27 | 179.7° | 179.9° |
| C19 | C33 | C34 | H44 | 179.8° | 179.7° |
| C17 | C18 | C19 | H27 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C18 | C19 | C20 | C21 | 37.6° | 139.8° |
| C19 | C18 | C17 | H26 | 180.0° | 180.0° |
| C18 | C19 | C33 | H43 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 166.0° | 92.3° |
| C20 | C19 | C18 | H27 | 0.2° | 0.1° |
| C20 | C19 | C33 | H43 | 0.1° | 0.0° |
| C20 | C21 | C22 | C23 | 24.3° | 47.2° |
| C20 | C21 | C22 | C32 | 156.8° | 132.5° |
| C21 | C22 | C23 | C32 | 178.9° | 179.7° |
| C21 | C22 | C23 | C24 | 179.6° | 179.9° |
| C21 | C22 | C32 | C31 | 179.7° | 179.8° |
| C21 | C22 | C23 | H28 | 0.4° | 0.0° |
| C21 | C22 | C32 | H42 | 0.4° | 0.0° |
| C22 | C23 | C24 | H28 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C23 | C22 | C32 | C31 | 0.7° | 0.5° |
| C22 | C23 | C24 | H29 | 179.8° | 180.0° |
| C23 | C22 | C32 | H42 | 179.3° | 179.7° |
| C24 | C23 | C22 | C32 | 0.6° | 0.2° |
| C23 | C24 | C25 | H29 | 180.0° | 179.9° |
| C23 | C24 | C25 | C31 | 0.2° | 0.0° |
| C23 | C24 | C25 | C26 | 179.7° | 179.9° |
| C22 | C32 | C31 | H42 | 180.0° | 179.8° |
| C22 | C32 | C31 | C25 | 0.3° | 0.5° |
| C32 | C22 | C23 | H28 | 179.3° | 179.7° |
| C22 | C32 | C31 | H41 | 179.7° | 179.8° |
| C24 | C25 | C31 | C32 | 0.2° | 0.3° |
| C24 | C25 | C31 | C26 | 179.4° | 180.0° |
| C24 | C25 | C26 | N5 | 93.0° | 90.0° |
| C25 | C24 | C23 | H28 | 179.8° | 180.0° |
| C24 | C25 | C26 | H30 | 146.3° | 150.0° |
| C24 | C25 | C26 | H31 | 27.8° | 30.0° |
| C24 | C25 | C31 | H41 | 179.8° | 179.9° |
| C32 | C31 | C25 | H41 | 180.0° | 179.7° |
| C32 | C31 | C25 | C26 | 179.6° | 179.8° |
| C31 | C25 | C26 | N5 | 87.6° | 90.0° |
| C31 | C25 | C24 | H29 | 179.8° | 179.9° |
| C31 | C25 | C26 | H30 | 33.2° | 29.9° |
| C31 | C25 | C26 | H31 | 151.6° | 150.0° |
| C25 | C31 | C32 | H42 | 179.8° | 179.7° |
| C25 | C26 | N5 | H30 | 120.8° | 120.0° |
| C25 | C26 | N5 | H31 | 120.8° | 119.9° |
| C25 | C26 | N5 | C30 | 63.3° | 66.4° |
| C25 | C26 | N5 | C27 | 62.2° | 170.0° |
| C26 | C25 | C24 | H29 | 0.3° | 0.0° |
| C25 | C26 | H30 | H31 | 117.6° | 120.0° |
| C26 | C25 | C31 | H41 | 0.4° | 0.1° |
| C26 | N5 | C30 | C27 | 127.4° | 123.7° |
| C26 | N5 | C30 | C29 | 174.6° | 177.6° |
| C26 | N5 | C27 | C28 | 174.1° | 177.6° |
| N5 | C26 | H30 | H31 | 117.5° | 120.1° |
| C26 | N5 | C27 | H33 | 65.9° | 62.4° |
| C26 | N5 | C27 | H34 | 54.0° | 57.7° |
| C26 | N5 | C30 | H39 | 54.7° | 57.7° |
| C26 | N5 | C30 | H40 | 65.4° | 62.4° |
| N5 | C30 | C29 | H39 | 120.0° | 119.9° |
| N5 | C30 | C29 | H40 | 120.0° | 119.9° |
| C30 | N5 | C27 | C28 | 58.4° | 58.6° |
| N5 | C30 | C29 | O4 | 57.5° | 56.9° |
| C30 | N5 | C26 | H30 | 176.0° | 53.6° |
| C30 | N5 | C26 | H31 | 57.5° | 173.7° |
| C30 | N5 | C27 | H33 | 61.6° | 61.3° |
| C30 | N5 | C27 | H34 | 178.4° | 178.6° |
| N5 | C30 | C29 | H37 | 62.9° | 176.8° |
| N5 | C30 | C29 | H38 | 178.0° | 63.0° |
| N5 | C30 | H39 | H40 | 120.0° | 120.1° |
| C29 | C30 | N5 | C27 | 57.9° | 58.7° |
| C30 | C29 | O4 | H37 | 120.4° | 119.9° |
| C30 | C29 | O4 | H38 | 120.4° | 120.0° |
| C30 | C29 | O4 | C28 | 56.7° | 58.7° |
| C30 | C29 | H37 | H38 | 118.8° | 120.2° |
| C29 | C30 | H39 | H40 | 120.1° | 120.1° |
| N5 | C27 | C28 | H33 | 120.0° | 120.0° |
| N5 | C27 | C28 | H34 | 120.0° | 120.0° |
| N5 | C27 | C28 | O4 | 58.0° | 56.8° |
| C27 | N5 | C26 | H30 | 58.6° | 70.0° |
| C27 | N5 | C26 | H31 | 177.0° | 50.1° |
| N5 | C27 | H33 | H34 | 119.9° | 120.1° |
| N5 | C27 | C28 | H35 | 178.3° | 176.8° |
| N5 | C27 | C28 | H36 | 62.3° | 63.1° |
| C27 | N5 | C30 | H39 | 177.9° | 178.6° |
| C27 | N5 | C30 | H40 | 62.1° | 61.3° |
| C27 | C28 | O4 | C29 | 56.7° | 58.6° |
| C27 | C28 | O4 | H35 | 120.3° | 120.0° |
| C27 | C28 | O4 | H36 | 120.3° | 119.9° |
| C28 | C27 | H33 | H34 | 119.9° | 120.1° |
| C27 | C28 | H35 | H36 | 119.1° | 120.1° |
| C29 | O4 | C28 | H35 | 177.0° | 178.6° |
| C29 | O4 | C28 | H36 | 63.6° | 61.3° |
| O4 | C29 | H37 | H38 | 118.8° | 120.1° |
| O4 | C29 | C30 | H39 | 177.5° | 176.8° |
| O4 | C29 | C30 | H40 | 62.4° | 63.1° |
| O4 | C28 | C27 | H33 | 62.0° | 63.1° |
| O4 | C28 | C27 | H34 | 178.1° | 176.8° |
| O4 | C28 | H35 | H36 | 119.1° | 120.1° |
| C28 | O4 | C29 | H37 | 63.7° | 178.6° |
| C28 | O4 | C29 | H38 | 177.1° | 61.3° |
| H1 | C2 | C14 | H21 | 95.1° | 36.0° |
| H1 | C2 | C14 | H22 | 26.9° | 160.0° |
| H2 | C4 | C5 | H3 | 61.1° | 55.2° |
| H2 | C4 | C5 | H4 | 58.9° | 64.8° |
| H2 | C4 | C5 | H5 | 178.9° | 175.2° |
| H2 | C4 | C6 | H6 | 60.5° | 60.0° |
| H2 | C4 | C6 | H7 | 179.4° | 60.0° |
| H2 | C4 | C6 | H8 | 59.5° | 180.0° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H6 | C6 | H7 | H8 | 120.0° | 120.1° |
| H9 | C7 | C8 | H11 | 27.5° | 144.4° |
| H10 | C7 | C8 | H11 | 94.6° | 23.3° |
| H11 | C8 | N2 | H12 | 129.8° | 143.2° |
| H11 | C8 | C14 | H21 | 88.2° | 35.3° |
| H11 | C8 | C14 | H22 | 33.9° | 159.1° |
| H13 | C10 | N3 | H14 | 32.2° | 40.3° |
| H13 | C10 | C13 | H19 | 83.4° | 146.0° |
| H13 | C10 | C13 | H20 | 38.5° | 23.9° |
| H14 | N3 | C11 | H16 | 16.7° | 40.3° |
| H14 | N3 | C11 | H17 | 138.0° | 82.1° |
| H16 | C11 | C12 | H18 | 9.9° | 24.1° |
| H17 | C11 | C12 | H18 | 111.3° | 98.4° |
| H18 | C12 | C13 | H19 | 89.9° | 122.1° |
| H18 | C12 | C13 | H20 | 32.0° | 0.1° |
| H23 | N4 | C15 | H24 | 141.2° | 120.0° |
| H23 | N4 | C15 | H25 | 99.6° | 120.0° |
| H26 | C17 | C18 | H27 | 0.0° | 0.1° |
| H28 | C23 | C24 | H29 | 0.2° | 0.1° |
| H33 | C27 | C28 | H35 | 58.3° | 56.9° |
| H33 | C27 | C28 | H36 | 177.7° | 176.9° |
| H34 | C27 | C28 | H35 | 61.6° | 63.2° |
| H34 | C27 | C28 | H36 | 57.8° | 56.9° |
| H37 | C29 | C30 | H39 | 57.1° | 63.3° |
| H37 | C29 | C30 | H40 | 177.2° | 56.8° |
| H38 | C29 | C30 | H39 | 62.1° | 56.9° |
| H38 | C29 | C30 | H40 | 58.0° | 177.0° |
| H41 | C31 | C32 | H42 | 0.2° | 0.0° |
| H43 | C33 | C34 | H44 | 0.2° | 0.1° |
