7KI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C14 | sing | 1.51Å | 1.49Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | C2 | sing | 1.51Å | 1.50Å | |
| C14 | C17 | sing | 1.40Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | |
| C18 | C17 | doub | 1.41Å | 1.38Å | |
| C18 | C3 | sing | 1.41Å | 1.37Å | |
| C2 | C3 | sing | 1.39Å | 1.44Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | |
| C17 | N4 | sing | 1.37Å | 1.38Å | |
| C24 | C1 | sing | 1.51Å | 1.49Å | |
| C30 | C15 | sing | 1.51Å | 1.50Å | |
| C3 | N1 | doub | 1.36Å | 1.37Å | |
| C1 | C4 | sing | 1.41Å | 1.47Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.40Å | 1.46Å | |
| C4 | N1 | sing | 1.34Å | 1.37Å | |
| C4 | C9 | doub | 1.41Å | 1.41Å | |
| N1 | CO1 | sing | 1.78Å | 1.94Å | |
| C9 | C7 | sing | 1.39Å | 1.38Å | |
| N4 | C16 | sing | 1.35Å | 1.39Å | |
| N4 | CO1 | sing | 1.77Å | 1.96Å | |
| C16 | C19 | doub | 1.41Å | 1.40Å | |
| C7 | N2 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.42Å | 1.47Å | Aromatic |
| C22 | C6 | sing | 1.51Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| CO1 | N2 | sing | 1.78Å | 1.96Å | |
| CO1 | N3 | sing | 1.78Å | 1.95Å | |
| C19 | C13 | sing | 1.39Å | 1.39Å | |
| N2 | C8 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | N3 | doub | 1.36Å | 1.38Å | |
| C13 | C10 | sing | 1.41Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C32 | C10 | sing | 1.51Å | 1.49Å | |
| N3 | C12 | sing | 1.36Å | 1.35Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | |
| C8 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| C8 | O1 | sing | 1.23Å | 1.30Å | |
| C5 | C20 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.41Å | 1.42Å | |
| C12 | O1 | doub | 1.23Å | 1.32Å | |
| C11 | C34 | sing | 1.51Å | 1.49Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C19 | 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 | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C2 | 112.1° | 109.5° |
| C27 | C26 | H14 | 108.8° | 109.4° |
| C27 | C26 | H15 | 108.8° | 109.5° |
| C26 | C27 | H16 | 109.5° | 109.5° |
| C26 | C27 | H17 | 109.5° | 109.4° |
| C26 | C27 | H18 | 109.4° | 109.4° |
| C25 | C24 | C1 | 111.9° | 109.5° |
| C25 | C24 | H5 | 108.9° | 109.5° |
| C25 | C24 | H6 | 108.9° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.4° | 109.5° |
| C31 | C30 | C15 | 115.0° | 109.4° |
| C31 | C30 | H29 | 108.1° | 109.5° |
| C31 | C30 | H30 | 108.1° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.4° | 109.4° |
| C30 | C31 | H33 | 109.5° | 109.5° |
| C14 | C28 | C29 | 115.2° | 109.5° |
| C28 | C14 | C17 | 122.7° | 126.7° |
| C28 | C14 | C15 | 131.5° | 126.7° |
| C14 | C28 | H19 | 108.0° | 109.5° |
| C14 | C28 | H20 | 108.0° | 109.5° |
| C29 | C28 | H19 | 108.0° | 109.5° |
| C29 | C28 | H20 | 108.0° | 109.5° |
| C28 | C29 | H21 | 109.5° | 109.5° |
| C28 | C29 | H22 | 109.4° | 109.5° |
| C28 | C29 | H23 | 109.4° | 109.5° |
| C26 | C2 | C3 | 124.6° | 126.6° |
| C26 | C2 | C1 | 129.8° | 126.7° |
| C2 | C26 | H14 | 108.8° | 109.5° |
| C2 | C26 | H15 | 108.8° | 109.5° |
| C17 | C14 | C15 | 105.8° | 106.6° |
| C14 | C17 | C18 | 123.9° | 132.8° |
| C14 | C17 | N4 | 112.4° | 103.4° |
| C14 | C15 | C30 | 127.8° | 126.9° |
| C14 | C15 | C16 | 106.6° | 106.2° |
| C17 | C18 | C3 | 124.1° | 124.0° |
| C18 | C17 | N4 | 123.7° | 123.3° |
| C17 | C18 | H8 | 117.9° | 118.0° |
| C18 | C3 | C2 | 121.2° | 136.9° |
| C18 | C3 | N1 | 125.1° | 118.8° |
| C3 | C18 | H8 | 118.0° | 118.0° |
| C3 | C2 | C1 | 105.3° | 106.7° |
| C2 | C3 | N1 | 113.0° | 103.1° |
| C2 | C1 | C24 | 126.8° | 126.1° |
| C2 | C1 | C4 | 105.8° | 107.6° |
| C17 | N4 | C16 | 104.2° | 106.1° |
| C17 | N4 | CO1 | 128.5° | 123.4° |
| C24 | C1 | C4 | 127.3° | 126.2° |
| C1 | C24 | H5 | 108.9° | 109.4° |
| C1 | C24 | H6 | 108.8° | 109.5° |
| C30 | C15 | C16 | 125.6° | 126.9° |
| C15 | C30 | H29 | 108.1° | 109.5° |
| C15 | C30 | H30 | 108.1° | 109.5° |
| C3 | N1 | C4 | 104.6° | 110.0° |
| C3 | N1 | CO1 | 127.2° | 128.2° |
| C1 | C4 | N1 | 111.0° | 102.2° |
| C1 | C4 | C9 | 125.1° | 137.4° |
| C33 | C32 | C10 | 109.4° | 109.5° |
| C33 | C32 | H34 | 109.5° | 109.5° |
| C33 | C32 | H35 | 109.5° | 109.5° |
| C32 | C33 | H36 | 109.5° | 109.4° |
| C32 | C33 | H37 | 109.5° | 109.4° |
| C32 | C33 | H38 | 109.5° | 109.4° |
| C15 | C16 | N4 | 111.0° | 103.8° |
| C15 | C16 | C19 | 124.5° | 133.8° |
| N1 | C4 | C9 | 123.5° | 119.2° |
| C4 | N1 | CO1 | 127.2° | 117.5° |
| C4 | C9 | C7 | 124.4° | 132.9° |
| C4 | C9 | H7 | 117.8° | 113.5° |
| N1 | CO1 | N4 | 89.5° | 98.1° |
| N1 | CO1 | N2 | 90.7° | 108.5° |
| N1 | CO1 | N3 | 176.2° | 130.8° |
| C9 | C7 | N2 | 123.1° | 119.2° |
| C9 | C7 | C6 | 126.6° | 137.5° |
| C7 | C9 | H7 | 117.8° | 113.6° |
| C16 | N4 | CO1 | 127.2° | 125.9° |
| N4 | C16 | C19 | 124.5° | 122.0° |
| N4 | CO1 | N2 | 172.5° | 131.9° |
| N4 | CO1 | N3 | 91.2° | 97.8° |
| C16 | C19 | C13 | 123.7° | 122.9° |
| C16 | C19 | H1 | 118.1° | 118.6° |
| N2 | C7 | C6 | 110.3° | 102.1° |
| C7 | N2 | CO1 | 128.4° | 117.9° |
| C7 | N2 | C8 | 104.0° | 111.7° |
| C7 | C6 | C22 | 123.9° | 126.3° |
| C7 | C6 | C5 | 106.6° | 107.5° |
| C6 | C22 | C23 | 117.1° | 109.5° |
| C22 | C6 | C5 | 129.4° | 126.2° |
| C6 | C22 | H24 | 107.6° | 109.4° |
| C6 | C22 | H25 | 107.5° | 109.5° |
| C22 | C23 | H11 | 109.5° | 109.5° |
| C22 | C23 | H12 | 109.4° | 109.5° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| C23 | C22 | H24 | 107.5° | 109.5° |
| C23 | C22 | H25 | 107.6° | 109.5° |
| N2 | CO1 | N3 | 88.1° | 94.2° |
| CO1 | N2 | C8 | 127.5° | 126.2° |
| CO1 | N3 | C13 | 127.3° | 125.7° |
| CO1 | N3 | C12 | 126.7° | 121.6° |
| C19 | C13 | N3 | 124.7° | 122.2° |
| C19 | C13 | C10 | 125.2° | 134.1° |
| C13 | C19 | H1 | 118.2° | 118.5° |
| N2 | C8 | C5 | 114.2° | 102.4° |
| N2 | C8 | O1 | 126.0° | 119.6° |
| C6 | C5 | C8 | 104.8° | 107.9° |
| C6 | C5 | C20 | 133.4° | 126.1° |
| N3 | C13 | C10 | 109.9° | 103.3° |
| C13 | N3 | C12 | 105.3° | 108.4° |
| C13 | C10 | C32 | 124.6° | 126.8° |
| C13 | C10 | C11 | 106.1° | 106.4° |
| C21 | C20 | C5 | 111.7° | 109.5° |
| C20 | C21 | H2 | 109.5° | 109.4° |
| C20 | C21 | H3 | 109.5° | 109.5° |
| C20 | C21 | H4 | 109.5° | 109.5° |
| C21 | C20 | H9 | 108.9° | 109.5° |
| C21 | C20 | H10 | 108.9° | 109.4° |
| C32 | C10 | C11 | 129.2° | 126.8° |
| C10 | C32 | H34 | 109.5° | 109.5° |
| C10 | C32 | H35 | 109.5° | 109.5° |
| N3 | C12 | C11 | 113.2° | 102.7° |
| N3 | C12 | O1 | 127.1° | 123.9° |
| C10 | C11 | C12 | 105.3° | 107.5° |
| C10 | C11 | C34 | 135.5° | 126.3° |
| C5 | C8 | O1 | 119.7° | 136.5° |
| C8 | C5 | C20 | 121.7° | 126.0° |
| C8 | O1 | C12 | 123.7° | 130.4° |
| C5 | C20 | H9 | 108.9° | 109.5° |
| C5 | C20 | H10 | 108.9° | 109.5° |
| C11 | C12 | O1 | 119.1° | 132.3° |
| C12 | C11 | C34 | 119.1° | 126.2° |
| C11 | C34 | C35 | 114.5° | 109.5° |
| C11 | C34 | H39 | 108.2° | 109.5° |
| C11 | C34 | H40 | 108.2° | 109.4° |
| C35 | C34 | H39 | 108.2° | 109.5° |
| C35 | C34 | H40 | 108.2° | 109.5° |
| C34 | C35 | H41 | 109.5° | 109.5° |
| C34 | C35 | H42 | 109.5° | 109.5° |
| C34 | C35 | H43 | 109.4° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.4° |
| H2 | C21 | H4 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H11 | C23 | H12 | 109.4° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H16 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.4° |
| H21 | C29 | H22 | 109.4° | 109.5° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.4° | 109.4° |
| H26 | C25 | H27 | 109.4° | 109.4° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H33 | 109.4° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.5° |
| H36 | C33 | H38 | 109.5° | 109.5° |
| H37 | C33 | H38 | 109.4° | 109.5° |
| H39 | C34 | H40 | 109.4° | 109.4° |
| H41 | C35 | H42 | 109.4° | 109.5° |
| H41 | C35 | H43 | 109.5° | 109.4° |
| H42 | C35 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C2 | H14 | 120.4° | 120.0° |
| C27 | C26 | C2 | H15 | 120.4° | 120.0° |
| C27 | C26 | C2 | C3 | 82.8° | 84.9° |
| C27 | C26 | C2 | C1 | 104.0° | 95.0° |
| C27 | C26 | H14 | H15 | 118.8° | 120.0° |
| C26 | C27 | H16 | H17 | 120.0° | 120.0° |
| C26 | C27 | H16 | H18 | 120.0° | 120.0° |
| C26 | C27 | H17 | H18 | 120.0° | 119.9° |
| C25 | C24 | C1 | C2 | 84.6° | 95.0° |
| C25 | C24 | C1 | H5 | 120.4° | 120.0° |
| C25 | C24 | C1 | H6 | 120.4° | 120.0° |
| C25 | C24 | C1 | C4 | 93.0° | 85.0° |
| C25 | C24 | H5 | H6 | 118.9° | 120.1° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H28 | 120.0° | 120.0° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C31 | C30 | C15 | C14 | 103.7° | 95.1° |
| C31 | C30 | C15 | H29 | 120.8° | 120.0° |
| C31 | C30 | C15 | H30 | 120.8° | 120.0° |
| C31 | C30 | C15 | C16 | 77.1° | 85.0° |
| C31 | C30 | H29 | H30 | 117.5° | 120.0° |
| C30 | C31 | H31 | H32 | 120.0° | 119.9° |
| C30 | C31 | H31 | H33 | 120.0° | 120.0° |
| C30 | C31 | H32 | H33 | 120.0° | 120.0° |
| C14 | C28 | C29 | H19 | 120.8° | 120.1° |
| C14 | C28 | C29 | H20 | 120.8° | 120.1° |
| C28 | C14 | C17 | C15 | 179.5° | 180.0° |
| C28 | C14 | C17 | C18 | 0.3° | 29.6° |
| C28 | C14 | C17 | N4 | 179.6° | 159.2° |
| C28 | C14 | C15 | C30 | 0.6° | 1.1° |
| C28 | C14 | C15 | C16 | 180.0° | 179.0° |
| C14 | C28 | H19 | H20 | 117.4° | 120.0° |
| C14 | C28 | C29 | H21 | 180.0° | 60.0° |
| C14 | C28 | C29 | H22 | 60.0° | 180.0° |
| C14 | C28 | C29 | H23 | 60.0° | 60.0° |
| C29 | C28 | C14 | C17 | 73.8° | 85.0° |
| C29 | C28 | C14 | C15 | 105.6° | 95.0° |
| C29 | C28 | H19 | H20 | 117.4° | 119.9° |
| C28 | C29 | H21 | H22 | 120.0° | 120.0° |
| C28 | C29 | H21 | H23 | 120.0° | 120.0° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C26 | C2 | C3 | C18 | 10.4° | 32.4° |
| C26 | C2 | C3 | C1 | 174.6° | 180.0° |
| C26 | C2 | C1 | C24 | 3.5° | 0.5° |
| C26 | C2 | C3 | N1 | 178.6° | 161.0° |
| C26 | C2 | C1 | C4 | 178.6° | 179.4° |
| C2 | C26 | H14 | H15 | 118.8° | 120.0° |
| C2 | C26 | C27 | H16 | 180.0° | 180.0° |
| C2 | C26 | C27 | H17 | 60.0° | 60.0° |
| C2 | C26 | C27 | H18 | 60.0° | 60.0° |
| C14 | C17 | C18 | N4 | 179.9° | 169.7° |
| C14 | C17 | C18 | C3 | 178.3° | 178.9° |
| C17 | C14 | C15 | C30 | 178.8° | 179.0° |
| C17 | C14 | C15 | C16 | 0.5° | 1.0° |
| C14 | C17 | N4 | C16 | 0.4° | 36.1° |
| C14 | C17 | N4 | CO1 | 179.3° | 166.9° |
| C14 | C17 | C18 | H8 | 1.8° | 1.1° |
| C17 | C14 | C28 | H19 | 165.3° | 35.0° |
| C17 | C14 | C28 | H20 | 47.0° | 155.0° |
| C15 | C14 | C17 | C18 | 179.8° | 150.3° |
| C15 | C14 | C17 | N4 | 0.1° | 20.9° |
| C14 | C15 | C30 | C16 | 179.2° | 179.9° |
| C14 | C15 | C16 | N4 | 0.8° | 22.8° |
| C14 | C15 | C16 | C19 | 178.7° | 150.1° |
| C15 | C14 | C28 | H19 | 15.3° | 144.9° |
| C15 | C14 | C28 | H20 | 133.6° | 25.0° |
| C14 | C15 | C30 | H29 | 135.5° | 144.9° |
| C14 | C15 | C30 | H30 | 17.1° | 24.9° |
| C17 | C18 | C3 | H8 | 180.0° | 180.0° |
| C17 | C18 | C3 | C2 | 179.5° | 175.8° |
| C17 | C18 | C3 | N1 | 10.7° | 10.8° |
| C18 | C17 | N4 | C16 | 179.7° | 136.2° |
| C18 | C17 | N4 | CO1 | 0.6° | 20.8° |
| C18 | C3 | C2 | N1 | 171.0° | 166.6° |
| C18 | C3 | C2 | C1 | 175.0° | 147.6° |
| C3 | C18 | C17 | N4 | 1.7° | 9.2° |
| C18 | C3 | N1 | C4 | 172.3° | 137.2° |
| C18 | C3 | N1 | CO1 | 18.1° | 18.5° |
| C3 | C2 | C1 | C24 | 177.7° | 179.5° |
| C3 | C2 | C1 | C4 | 4.3° | 0.5° |
| C2 | C3 | N1 | C4 | 1.7° | 32.4° |
| C2 | C3 | N1 | CO1 | 171.3° | 171.9° |
| C2 | C3 | C18 | H8 | 0.6° | 4.2° |
| C3 | C2 | C26 | H14 | 37.6° | 35.0° |
| C3 | C2 | C26 | H15 | 156.8° | 155.0° |
| C2 | C1 | C24 | C4 | 177.5° | 180.0° |
| C1 | C2 | C3 | N1 | 4.0° | 18.9° |
| C2 | C1 | C4 | N1 | 3.6° | 18.2° |
| C2 | C1 | C4 | C9 | 169.1° | 148.2° |
| C2 | C1 | C24 | H5 | 35.8° | 145.0° |
| C2 | C1 | C24 | H6 | 155.1° | 25.0° |
| C1 | C2 | C26 | H14 | 135.6° | 145.0° |
| C1 | C2 | C26 | H15 | 16.4° | 25.0° |
| C17 | N4 | C16 | C15 | 0.7° | 36.8° |
| C17 | N4 | CO1 | N1 | 4.9° | 12.0° |
| C17 | N4 | C16 | CO1 | 179.7° | 156.3° |
| C17 | N4 | C16 | C19 | 178.7° | 137.2° |
| C17 | N4 | CO1 | N2 | 96.6° | 112.0° |
| C17 | N4 | CO1 | N3 | 178.8° | 145.2° |
| N4 | C17 | C18 | H8 | 178.3° | 170.8° |
| C24 | C1 | C4 | N1 | 178.4° | 161.8° |
| C24 | C1 | C4 | C9 | 8.8° | 31.8° |
| C1 | C24 | H5 | H6 | 118.9° | 120.0° |
| C1 | C24 | C25 | H26 | 180.0° | 60.0° |
| C1 | C24 | C25 | H27 | 60.0° | 60.0° |
| C1 | C24 | C25 | H28 | 60.0° | 180.0° |
| C30 | C15 | C16 | N4 | 178.6° | 157.1° |
| C30 | C15 | C16 | C19 | 0.6° | 30.0° |
| C15 | C30 | H29 | H30 | 117.5° | 120.0° |
| C15 | C30 | C31 | H31 | 180.0° | 60.0° |
| C15 | C30 | C31 | H32 | 60.0° | 180.0° |
| C15 | C30 | C31 | H33 | 60.0° | 60.0° |
| C3 | N1 | C4 | C1 | 1.2° | 31.7° |
| C3 | N1 | C4 | CO1 | 169.6° | 158.6° |
| C3 | N1 | C4 | C9 | 171.7° | 137.8° |
| C3 | N1 | CO1 | N4 | 13.1° | 7.5° |
| C3 | N1 | CO1 | N2 | 174.5° | 146.8° |
| C3 | N1 | CO1 | N3 | 114.3° | 100.2° |
| N1 | C3 | C18 | H8 | 169.3° | 169.3° |
| C1 | C4 | N1 | C9 | 172.9° | 169.5° |
| C1 | C4 | N1 | CO1 | 168.4° | 169.7° |
| C1 | C4 | C9 | C7 | 167.8° | 176.0° |
| C4 | C1 | C24 | H5 | 146.6° | 35.0° |
| C4 | C1 | C24 | H6 | 27.4° | 155.0° |
| C1 | C4 | C9 | H7 | 12.2° | 4.0° |
| C33 | C32 | C10 | C13 | 112.3° | 85.3° |
| C33 | C32 | C10 | H34 | 120.0° | 120.0° |
| C33 | C32 | C10 | H35 | 120.0° | 120.0° |
| C33 | C32 | C10 | C11 | 63.8° | 95.0° |
| C33 | C32 | H34 | H35 | 120.0° | 120.0° |
| C32 | C33 | H36 | H37 | 120.0° | 119.9° |
| C32 | C33 | H36 | H38 | 120.0° | 120.0° |
| C32 | C33 | H37 | H38 | 120.0° | 119.9° |
| C15 | C16 | N4 | C19 | 178.0° | 174.0° |
| C15 | C16 | N4 | CO1 | 179.0° | 166.9° |
| C15 | C16 | C19 | C13 | 175.6° | 174.3° |
| C15 | C16 | C19 | H1 | 4.4° | 5.7° |
| C16 | C15 | C30 | H29 | 43.7° | 35.0° |
| C16 | C15 | C30 | H30 | 162.1° | 155.0° |
| N1 | C4 | C9 | C7 | 20.4° | 19.3° |
| C4 | N1 | CO1 | N4 | 179.7° | 146.7° |
| C4 | N1 | CO1 | N2 | 7.2° | 7.3° |
| C4 | N1 | CO1 | N3 | 78.4° | 105.6° |
| N1 | C4 | C9 | H7 | 159.6° | 160.7° |
| C9 | C4 | N1 | CO1 | 18.7° | 20.8° |
| C4 | C9 | C7 | H7 | 180.0° | 180.0° |
| C4 | C9 | C7 | N2 | 10.0° | 2.7° |
| C4 | C9 | C7 | C6 | 169.1° | 168.4° |
| N1 | CO1 | N4 | C16 | 175.4° | 140.5° |
| N1 | CO1 | N4 | N2 | 91.7° | 124.0° |
| N1 | CO1 | N4 | N3 | 176.3° | 133.3° |
| N1 | CO1 | N2 | C7 | 2.3° | 11.8° |
| N1 | CO1 | N2 | N3 | 176.4° | 135.7° |
| N1 | CO1 | N2 | C8 | 177.1° | 143.0° |
| N1 | CO1 | N3 | C13 | 94.2° | 97.3° |
| N1 | CO1 | N3 | C12 | 75.4° | 108.5° |
| C9 | C7 | N2 | C6 | 179.3° | 170.2° |
| C9 | C7 | C6 | C22 | 3.0° | 28.5° |
| C9 | C7 | N2 | CO1 | 1.1° | 16.8° |
| C9 | C7 | N2 | C8 | 178.4° | 141.5° |
| C9 | C7 | C6 | C5 | 179.2° | 151.5° |
| C16 | N4 | CO1 | N2 | 83.7° | 95.5° |
| C16 | N4 | CO1 | N3 | 0.9° | 7.2° |
| N4 | C16 | C19 | C13 | 6.7° | 13.8° |
| N4 | C16 | C19 | H1 | 173.3° | 166.2° |
| CO1 | N4 | C16 | C19 | 1.0° | 19.2° |
| N4 | CO1 | N2 | C7 | 89.3° | 108.2° |
| N4 | CO1 | N2 | N3 | 84.8° | 104.3° |
| N4 | CO1 | N2 | C8 | 91.3° | 97.0° |
| N4 | CO1 | N3 | C13 | 6.9° | 10.5° |
| N4 | CO1 | N3 | C12 | 176.6° | 143.7° |
| C16 | C19 | C13 | H1 | 180.0° | 180.0° |
| C16 | C19 | C13 | N3 | 13.4° | 4.6° |
| C16 | C19 | C13 | C10 | 171.3° | 176.4° |
| N2 | C7 | C6 | C22 | 177.8° | 164.2° |
| C7 | N2 | CO1 | C8 | 179.4° | 154.8° |
| C7 | N2 | CO1 | N3 | 174.1° | 147.5° |
| N2 | C7 | C6 | C5 | 0.0° | 15.8° |
| C7 | N2 | C8 | C5 | 1.4° | 29.4° |
| C7 | N2 | C8 | O1 | 178.2° | 139.3° |
| N2 | C7 | C9 | H7 | 170.0° | 177.4° |
| C7 | C6 | C22 | C5 | 177.2° | 180.0° |
| C7 | C6 | C22 | C23 | 137.9° | 90.0° |
| C6 | C7 | N2 | CO1 | 179.6° | 173.0° |
| C6 | C7 | N2 | C8 | 0.9° | 28.7° |
| C7 | C6 | C5 | C8 | 0.8° | 1.0° |
| C7 | C6 | C5 | C20 | 179.2° | 179.0° |
| C6 | C7 | C9 | H7 | 10.9° | 11.6° |
| C7 | C6 | C22 | H24 | 16.8° | 30.0° |
| C7 | C6 | C22 | H25 | 100.9° | 149.9° |
| C6 | C22 | C23 | H24 | 121.1° | 120.0° |
| C6 | C22 | C23 | H25 | 121.1° | 120.1° |
| C22 | C6 | C5 | C8 | 178.4° | 179.0° |
| C22 | C6 | C5 | C20 | 3.2° | 1.0° |
| C6 | C22 | C23 | H11 | 180.0° | 60.0° |
| C6 | C22 | C23 | H12 | 60.0° | 60.0° |
| C6 | C22 | C23 | H13 | 60.0° | 180.0° |
| C6 | C22 | H24 | H25 | 116.5° | 120.0° |
| C23 | C22 | C6 | C5 | 44.8° | 90.0° |
| C22 | C23 | H11 | H12 | 120.0° | 120.0° |
| C22 | C23 | H11 | H13 | 120.0° | 120.0° |
| C22 | C23 | H12 | H13 | 120.0° | 120.0° |
| C23 | C22 | H24 | H25 | 116.6° | 120.0° |
| N2 | CO1 | N3 | C13 | 165.5° | 143.7° |
| N2 | CO1 | N3 | C12 | 4.1° | 10.4° |
| CO1 | N2 | C8 | C5 | 179.0° | 174.5° |
| CO1 | N2 | C8 | O1 | 2.3° | 16.8° |
| CO1 | N3 | C13 | C19 | 14.0° | 16.9° |
| N3 | CO1 | N2 | C8 | 6.5° | 7.4° |
| CO1 | N3 | C13 | C12 | 171.4° | 157.0° |
| CO1 | N3 | C13 | C10 | 170.1° | 169.1° |
| CO1 | N3 | C12 | C11 | 168.2° | 168.5° |
| CO1 | N3 | C12 | O1 | 2.8° | 22.1° |
| C19 | C13 | N3 | C10 | 175.9° | 174.0° |
| C19 | C13 | C10 | C32 | 6.2° | 27.5° |
| C19 | C13 | N3 | C12 | 174.6° | 140.1° |
| C19 | C13 | C10 | C11 | 176.9° | 152.7° |
| N2 | C8 | C5 | C6 | 1.5° | 17.5° |
| N2 | C8 | C5 | O1 | 177.0° | 165.7° |
| N2 | C8 | C5 | C20 | 179.9° | 162.6° |
| N2 | C8 | O1 | C12 | 7.3° | 6.9° |
| C6 | C5 | C20 | C21 | 126.2° | 90.0° |
| C6 | C5 | C8 | C20 | 178.7° | 180.0° |
| C6 | C5 | C8 | O1 | 178.4° | 148.2° |
| C6 | C5 | C20 | H9 | 5.8° | 150.0° |
| C6 | C5 | C20 | H10 | 113.5° | 30.0° |
| C5 | C6 | C22 | H24 | 165.9° | 150.0° |
| C5 | C6 | C22 | H25 | 76.3° | 30.1° |
| N3 | C13 | C10 | C32 | 178.0° | 159.5° |
| N3 | C13 | C10 | C11 | 1.1° | 20.2° |
| C13 | N3 | C12 | C11 | 3.3° | 33.4° |
| C13 | N3 | C12 | O1 | 174.3° | 136.1° |
| N3 | C13 | C19 | H1 | 166.6° | 175.4° |
| C13 | C10 | C32 | C11 | 176.1° | 179.7° |
| C10 | C13 | N3 | C12 | 1.3° | 33.9° |
| C13 | C10 | C11 | C12 | 2.9° | 0.5° |
| C13 | C10 | C11 | C34 | 172.2° | 179.5° |
| C10 | C13 | C19 | H1 | 8.6° | 3.6° |
| C13 | C10 | C32 | H34 | 127.7° | 34.7° |
| C13 | C10 | C32 | H35 | 7.7° | 154.7° |
| C21 | C20 | C5 | C8 | 55.6° | 90.0° |
| C21 | C20 | C5 | H9 | 120.3° | 120.0° |
| C21 | C20 | C5 | H10 | 120.3° | 120.0° |
| C20 | C21 | H2 | H3 | 120.0° | 120.0° |
| C20 | C21 | H2 | H4 | 120.0° | 120.0° |
| C20 | C21 | H3 | H4 | 120.0° | 120.1° |
| C21 | C20 | H9 | H10 | 119.0° | 119.9° |
| C32 | C10 | C11 | C12 | 179.6° | 179.2° |
| C32 | C10 | C11 | C34 | 4.5° | 0.8° |
| C10 | C32 | H34 | H35 | 120.1° | 120.0° |
| C10 | C32 | C33 | H36 | 180.0° | 180.0° |
| C10 | C32 | C33 | H37 | 60.0° | 60.0° |
| C10 | C32 | C33 | H38 | 60.0° | 60.0° |
| N3 | C12 | C11 | C10 | 4.0° | 19.4° |
| N3 | C12 | O1 | C8 | 10.1° | 13.7° |
| N3 | C12 | C11 | O1 | 171.8° | 168.1° |
| N3 | C12 | C11 | C34 | 172.0° | 160.6° |
| C10 | C11 | C12 | C34 | 176.1° | 180.0° |
| C10 | C11 | C12 | O1 | 175.8° | 148.7° |
| C10 | C11 | C34 | C35 | 46.1° | 95.0° |
| C11 | C10 | C32 | H34 | 56.1° | 145.0° |
| C11 | C10 | C32 | H35 | 176.2° | 25.0° |
| C10 | C11 | C34 | H39 | 166.8° | 145.0° |
| C10 | C11 | C34 | H40 | 74.7° | 25.0° |
| C5 | C8 | O1 | C12 | 169.3° | 170.7° |
| C8 | C5 | C20 | H9 | 175.9° | 30.1° |
| C8 | C5 | C20 | H10 | 64.7° | 150.0° |
| O1 | C8 | C5 | C20 | 2.9° | 31.8° |
| C8 | O1 | C12 | C11 | 160.5° | 179.7° |
| C5 | C20 | C21 | H2 | 180.0° | 60.0° |
| C5 | C20 | C21 | H3 | 60.0° | 59.9° |
| C5 | C20 | C21 | H4 | 60.0° | 180.0° |
| C5 | C20 | H9 | H10 | 119.0° | 120.0° |
| C12 | C11 | C34 | C35 | 139.3° | 85.0° |
| C12 | C11 | C34 | H39 | 18.6° | 35.0° |
| C12 | C11 | C34 | H40 | 99.9° | 155.0° |
| O1 | C12 | C11 | C34 | 0.2° | 31.3° |
| C11 | C34 | C35 | H39 | 120.7° | 120.1° |
| C11 | C34 | C35 | H40 | 120.8° | 120.0° |
| C11 | C34 | H39 | H40 | 117.7° | 120.0° |
| C11 | C34 | C35 | H41 | 180.0° | 60.0° |
| C11 | C34 | C35 | H42 | 60.0° | 60.0° |
| C11 | C34 | C35 | H43 | 60.0° | 179.9° |
| C35 | C34 | H39 | H40 | 117.7° | 120.0° |
| C34 | C35 | H41 | H42 | 120.0° | 120.0° |
| C34 | C35 | H41 | H43 | 120.0° | 120.0° |
| C34 | C35 | H42 | H43 | 120.0° | 120.0° |
| H2 | C21 | H3 | H4 | 120.0° | 120.0° |
| H2 | C21 | C20 | H9 | 59.7° | 60.1° |
| H2 | C21 | C20 | H10 | 59.6° | 180.0° |
| H3 | C21 | C20 | H9 | 60.3° | 180.0° |
| H3 | C21 | C20 | H10 | 179.7° | 60.1° |
| H4 | C21 | C20 | H9 | 179.7° | 59.9° |
| H4 | C21 | C20 | H10 | 60.4° | 60.0° |
| H5 | C24 | C25 | H26 | 59.6° | 180.0° |
| H5 | C24 | C25 | H27 | 60.4° | 60.0° |
| H5 | C24 | C25 | H28 | 179.6° | 60.0° |
| H6 | C24 | C25 | H26 | 59.7° | 60.0° |
| H6 | C24 | C25 | H27 | 179.6° | 180.0° |
| H6 | C24 | C25 | H28 | 60.3° | 60.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
| H11 | C23 | C22 | H24 | 58.9° | 60.0° |
| H11 | C23 | C22 | H25 | 58.9° | 180.0° |
| H12 | C23 | C22 | H24 | 178.9° | NaN° |
| H12 | C23 | C22 | H25 | 61.1° | 60.0° |
| H13 | C23 | C22 | H24 | 61.1° | 60.0° |
| H13 | C23 | C22 | H25 | 178.9° | 60.0° |
| H14 | C26 | C27 | H16 | 59.6° | 60.0° |
| H14 | C26 | C27 | H17 | 60.4° | 180.0° |
| H14 | C26 | C27 | H18 | 179.6° | 60.0° |
| H15 | C26 | C27 | H16 | 59.6° | 60.0° |
| H15 | C26 | C27 | H17 | 179.6° | 60.1° |
| H15 | C26 | C27 | H18 | 60.4° | 180.0° |
| H16 | C27 | H17 | H18 | 120.0° | 120.1° |
| H19 | C28 | C29 | H21 | 59.2° | 60.1° |
| H19 | C28 | C29 | H22 | 179.1° | 59.9° |
| H19 | C28 | C29 | H23 | 60.8° | 180.0° |
| H20 | C28 | C29 | H21 | 59.2° | 180.0° |
| H20 | C28 | C29 | H22 | 60.8° | 60.0° |
| H20 | C28 | C29 | H23 | 179.2° | 60.1° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H29 | C30 | C31 | H31 | 59.2° | 59.9° |
| H29 | C30 | C31 | H32 | 60.8° | 60.0° |
| H29 | C30 | C31 | H33 | 179.2° | 180.0° |
| H30 | C30 | C31 | H31 | 59.2° | 180.0° |
| H30 | C30 | C31 | H32 | 179.2° | 60.0° |
| H30 | C30 | C31 | H33 | 60.8° | 59.9° |
| H31 | C31 | H32 | H33 | 120.0° | 120.1° |
| H34 | C32 | C33 | H36 | 60.0° | 60.0° |
| H34 | C32 | C33 | H37 | 60.0° | 180.0° |
| H34 | C32 | C33 | H38 | 179.9° | 60.0° |
| H35 | C32 | C33 | H36 | 60.0° | 59.9° |
| H35 | C32 | C33 | H37 | 180.0° | 60.0° |
| H35 | C32 | C33 | H38 | 60.0° | 180.0° |
| H36 | C33 | H37 | H38 | 120.0° | 120.1° |
| H39 | C34 | C35 | H41 | 59.3° | 179.9° |
| H39 | C34 | C35 | H42 | 179.3° | 60.0° |
| H39 | C34 | C35 | H43 | 60.7° | 60.0° |
| H40 | C34 | C35 | H41 | 59.2° | 60.0° |
| H40 | C34 | C35 | H42 | 60.8° | 180.0° |
| H40 | C34 | C35 | H43 | 179.2° | 60.0° |
| H41 | C35 | H42 | H43 | 120.0° | 119.9° |
