I8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C2 | C26 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C3 | N1 | sing | 1.48Å | 1.47Å | |
| C12 | C8 | sing | 1.53Å | 1.53Å | |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| O3 | C13 | doub | 1.22Å | 1.24Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | C1 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | N2 | sing | 1.46Å | 1.46Å | |
| C7 | C5 | sing | 1.51Å | 1.54Å | |
| C13 | N2 | sing | 1.35Å | 1.35Å | |
| C13 | N4 | sing | 1.35Å | 1.36Å | |
| O1 | C6 | doub | 1.21Å | 1.23Å | |
| C1 | C4 | sing | 1.54Å | 1.52Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| N1 | C4 | sing | 1.48Å | 1.46Å | |
| N4 | C14 | sing | 1.47Å | 1.47Å | |
| C17 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C25 | N5 | sing | 1.47Å | 1.45Å | |
| C4 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| O5 | C18 | sing | 1.43Å | 1.42Å | |
| N5 | C19 | sing | 1.35Å | 1.32Å | |
| N3 | C9 | sing | 1.46Å | 1.47Å | |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| C24 | C21 | sing | 1.55Å | 1.53Å | |
| C9 | C18 | sing | 1.53Å | 1.55Å | |
| C9 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | O4 | doub | 1.21Å | 1.23Å | |
| C23 | N6 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| N6 | C22 | sing | 1.34Å | 1.33Å | |
| C22 | O6 | doub | 1.21Å | 1.23Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| O5 | H42 | sing | 0.97Å | 0.95Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C26 | 119.9° | 118.2° |
| C3 | C2 | C1 | 108.2° | 104.9° |
| C2 | C3 | N1 | 103.7° | 104.4° |
| C3 | C2 | H22 | 118.0° | 117.6° |
| C2 | C3 | H23 | 110.9° | 110.4° |
| C2 | C3 | H24 | 110.9° | 110.3° |
| C26 | C2 | C1 | 60.5° | 59.7° |
| C2 | C26 | C28 | 124.6° | 117.4° |
| C2 | C26 | C1 | 59.4° | 60.6° |
| C2 | C26 | C27 | 123.5° | 117.4° |
| C26 | C2 | H22 | 117.9° | 119.6° |
| C2 | C1 | C26 | 60.1° | 59.7° |
| C2 | C1 | C4 | 107.7° | 105.0° |
| C2 | C1 | H21 | 117.2° | 123.1° |
| C1 | C2 | H22 | 118.1° | 123.0° |
| C3 | N1 | C5 | 129.1° | 127.8° |
| C3 | N1 | C4 | 113.4° | 104.3° |
| N1 | C3 | H23 | 110.9° | 110.3° |
| N1 | C3 | H24 | 110.9° | 110.8° |
| C12 | C8 | C11 | 108.7° | 109.5° |
| C12 | C8 | C7 | 109.1° | 109.5° |
| C12 | C8 | C10 | 109.0° | 109.5° |
| C8 | C12 | H30 | 109.5° | 109.5° |
| C8 | C12 | H31 | 109.5° | 109.5° |
| C8 | C12 | H32 | 109.5° | 109.5° |
| C11 | C8 | C7 | 111.7° | 109.4° |
| C11 | C8 | C10 | 108.1° | 109.5° |
| C8 | C11 | H27 | 109.5° | 109.5° |
| C8 | C11 | H28 | 109.4° | 109.4° |
| C8 | C11 | H29 | 109.5° | 109.5° |
| O3 | C13 | N2 | 121.4° | 120.0° |
| O3 | C13 | N4 | 122.9° | 120.0° |
| C15 | C14 | N4 | 94.8° | 109.5° |
| C15 | C14 | C17 | 103.6° | 109.5° |
| C15 | C14 | C16 | 101.7° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C28 | C26 | C1 | 104.6° | 117.5° |
| C28 | C26 | C27 | 111.9° | 115.5° |
| C26 | C28 | H18 | 109.5° | 109.5° |
| C26 | C28 | H19 | 109.5° | 109.5° |
| C26 | C28 | H20 | 109.5° | 109.5° |
| C1 | C26 | C27 | 109.3° | 117.4° |
| C26 | C1 | C4 | 123.3° | 118.1° |
| C26 | C1 | H21 | 116.9° | 119.5° |
| C26 | C27 | H46 | 109.5° | 109.5° |
| C26 | C27 | H47 | 109.5° | 109.4° |
| C26 | C27 | H48 | 109.5° | 109.5° |
| C7 | C8 | C10 | 110.3° | 109.5° |
| C8 | C7 | N2 | 109.1° | 109.5° |
| C8 | C7 | C5 | 113.6° | 109.5° |
| C8 | C7 | H3 | 107.3° | 109.5° |
| C8 | C10 | H4 | 109.5° | 109.5° |
| C8 | C10 | H5 | 109.5° | 109.4° |
| C8 | C10 | H6 | 109.5° | 109.5° |
| N2 | C7 | C5 | 111.4° | 109.5° |
| C7 | N2 | C13 | 123.3° | 120.0° |
| N2 | C7 | H3 | 108.1° | 109.5° |
| C7 | N2 | H25 | 118.4° | 120.0° |
| C7 | C5 | N1 | 118.4° | 120.0° |
| C7 | C5 | O2 | 122.2° | 120.0° |
| C5 | C7 | H3 | 107.2° | 109.4° |
| N2 | C13 | N4 | 115.7° | 119.9° |
| C13 | N2 | H25 | 118.4° | 120.0° |
| C13 | N4 | C14 | 125.9° | 120.0° |
| C13 | N4 | H33 | 117.0° | 120.1° |
| O1 | C6 | C4 | 120.6° | 120.0° |
| O1 | C6 | N3 | 123.3° | 120.0° |
| C1 | C4 | N1 | 103.5° | 104.6° |
| C1 | C4 | C6 | 111.5° | 110.4° |
| C1 | C4 | H2 | 110.1° | 110.5° |
| C4 | C1 | H21 | 116.9° | 117.6° |
| C5 | N1 | C4 | 117.5° | 127.8° |
| N1 | C5 | O2 | 119.5° | 120.0° |
| N1 | C4 | C6 | 110.6° | 110.4° |
| N1 | C4 | H2 | 111.0° | 110.4° |
| N4 | C14 | C17 | 117.1° | 109.5° |
| N4 | C14 | C16 | 120.7° | 109.5° |
| C14 | N4 | H33 | 117.1° | 120.0° |
| C17 | C14 | C16 | 113.5° | 109.4° |
| C14 | C17 | H10 | 109.5° | 109.5° |
| C14 | C17 | H11 | 109.5° | 109.5° |
| C14 | C17 | H12 | 109.5° | 109.5° |
| C14 | C16 | H34 | 109.5° | 109.5° |
| C14 | C16 | H35 | 109.4° | 109.5° |
| C14 | C16 | H36 | 109.5° | 109.4° |
| C25 | N5 | C19 | 122.8° | 120.0° |
| C25 | N5 | H38 | 118.6° | 120.0° |
| N5 | C25 | H43 | 109.5° | 109.5° |
| N5 | C25 | H44 | 109.5° | 109.5° |
| N5 | C25 | H45 | 109.4° | 109.4° |
| C4 | C6 | N3 | 116.1° | 120.0° |
| C6 | C4 | H2 | 110.1° | 110.4° |
| C6 | N3 | C9 | 123.8° | 120.0° |
| C6 | N3 | H1 | 118.1° | 120.0° |
| O5 | C18 | C9 | 108.8° | 109.5° |
| O5 | C18 | C19 | 110.2° | 109.5° |
| O5 | C18 | H37 | 108.8° | 109.5° |
| C18 | O5 | H42 | 109.5° | 114.0° |
| N5 | C19 | C18 | 118.9° | 120.0° |
| N5 | C19 | O4 | 122.2° | 120.0° |
| C19 | N5 | H38 | 118.6° | 120.0° |
| N3 | C9 | C18 | 110.2° | 109.5° |
| N3 | C9 | C20 | 109.2° | 109.5° |
| C9 | N3 | H1 | 118.1° | 120.1° |
| N3 | C9 | H26 | 108.5° | 109.5° |
| C23 | C24 | C21 | 104.5° | 101.7° |
| C24 | C23 | N6 | 102.6° | 105.5° |
| C23 | C24 | H16 | 110.7° | 110.9° |
| C23 | C24 | H17 | 110.7° | 111.0° |
| C24 | C23 | H40 | 111.2° | 110.3° |
| C24 | C23 | H41 | 111.2° | 110.3° |
| C24 | C21 | C20 | 117.2° | 110.5° |
| C24 | C21 | C22 | 102.5° | 104.2° |
| C24 | C21 | H15 | 107.8° | 110.6° |
| C21 | C24 | H16 | 110.7° | 111.0° |
| C21 | C24 | H17 | 110.7° | 111.0° |
| C18 | C9 | C20 | 113.5° | 109.4° |
| C9 | C18 | C19 | 114.3° | 109.4° |
| C18 | C9 | H26 | 107.5° | 109.5° |
| C9 | C18 | H37 | 107.2° | 109.5° |
| C9 | C20 | C21 | 111.9° | 109.5° |
| C9 | C20 | H13 | 108.8° | 109.5° |
| C9 | C20 | H14 | 108.9° | 109.5° |
| C20 | C9 | H26 | 107.8° | 109.5° |
| C18 | C19 | O4 | 118.9° | 120.0° |
| C19 | C18 | H37 | 107.5° | 109.5° |
| C23 | N6 | C22 | 113.9° | 111.3° |
| C23 | N6 | H39 | 123.0° | 124.3° |
| N6 | C23 | H40 | 111.2° | 110.2° |
| N6 | C23 | H41 | 111.2° | 110.2° |
| C20 | C21 | C22 | 113.0° | 110.5° |
| C21 | C20 | H13 | 108.9° | 109.4° |
| C21 | C20 | H14 | 108.9° | 109.4° |
| C20 | C21 | H15 | 107.9° | 110.4° |
| C21 | C22 | N6 | 108.9° | 110.1° |
| C21 | C22 | O6 | 125.2° | 124.9° |
| C22 | C21 | H15 | 108.0° | 110.5° |
| N6 | C22 | O6 | 125.9° | 124.9° |
| C22 | N6 | H39 | 123.1° | 124.4° |
| H4 | C10 | H5 | 109.4° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H10 | C17 | H11 | 109.4° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 110.9° |
| H18 | C28 | H19 | 109.5° | 109.4° |
| H18 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.4° | 109.5° |
| H23 | C3 | H24 | 109.5° | 110.5° |
| H27 | C11 | H28 | 109.4° | 109.5° |
| H27 | C11 | H29 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.4° |
| H30 | C12 | H31 | 109.5° | 109.5° |
| H30 | C12 | H32 | 109.5° | 109.4° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H34 | C16 | H36 | 109.4° | 109.5° |
| H35 | C16 | H36 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 110.3° |
| H43 | C25 | H44 | 109.5° | 109.5° |
| H43 | C25 | H45 | 109.4° | 109.5° |
| H44 | C25 | H45 | 109.5° | 109.5° |
| H46 | C27 | H47 | 109.4° | 109.5° |
| H46 | C27 | H48 | 109.5° | 109.5° |
| H47 | C27 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C26 | C1 | 95.2° | 91.4° |
| C3 | C2 | C26 | H22 | 156.6° | 155.4° |
| C3 | C2 | C1 | H22 | 137.5° | 138.1° |
| C2 | C3 | N1 | H23 | 119.1° | 118.6° |
| C2 | C3 | N1 | H24 | 119.1° | 118.8° |
| C3 | C2 | C26 | C28 | 177.8° | 160.9° |
| C3 | C2 | C26 | C27 | 1.2° | 16.3° |
| C3 | C2 | C1 | C4 | 4.2° | 0.2° |
| C2 | C3 | N1 | C5 | 162.7° | 140.4° |
| C2 | C3 | N1 | C4 | 17.3° | 39.9° |
| C3 | C2 | C1 | H21 | 138.5° | 138.2° |
| C2 | C3 | H23 | H24 | 122.7° | 122.3° |
| C26 | C2 | C1 | H22 | 107.9° | 107.6° |
| C26 | C2 | C3 | N1 | 58.6° | 39.2° |
| C2 | C26 | C28 | C1 | 62.7° | 69.2° |
| C2 | C26 | C28 | C27 | 179.1° | 145.4° |
| C2 | C26 | C1 | C27 | 118.2° | 107.6° |
| C26 | C2 | C1 | C4 | 118.8° | 114.1° |
| C2 | C26 | C28 | H18 | 180.0° | 129.3° |
| C2 | C26 | C28 | H19 | 60.0° | 110.8° |
| C2 | C26 | C28 | H20 | 60.0° | 9.3° |
| C26 | C2 | C1 | H21 | 106.9° | 107.5° |
| C26 | C2 | C3 | H23 | 177.7° | 79.4° |
| C26 | C2 | C3 | H24 | 60.4° | 158.2° |
| C2 | C26 | C27 | H46 | 180.0° | 129.1° |
| C2 | C26 | C27 | H47 | 60.0° | 9.1° |
| C2 | C26 | C27 | H48 | 60.0° | 110.9° |
| C1 | C2 | C3 | N1 | 7.3° | 24.1° |
| C2 | C1 | C4 | H21 | 134.5° | 141.1° |
| C2 | C1 | C4 | N1 | 13.9° | 23.9° |
| C2 | C1 | C4 | C6 | 105.0° | 94.9° |
| C2 | C1 | C4 | H2 | 132.5° | 142.7° |
| C1 | C2 | C3 | H23 | 111.8° | 142.7° |
| C1 | C2 | C3 | H24 | 126.3° | 94.9° |
| C3 | N1 | C5 | C7 | 3.3° | 3.5° |
| C3 | N1 | C4 | C1 | 19.8° | 39.8° |
| C3 | N1 | C5 | C4 | 180.0° | 179.7° |
| C3 | N1 | C5 | O2 | 177.3° | 176.5° |
| C3 | N1 | C4 | C6 | 99.7° | 78.9° |
| C3 | N1 | C4 | H2 | 137.8° | 158.7° |
| N1 | C3 | C2 | H22 | 144.8° | 165.0° |
| N1 | C3 | H23 | H24 | 122.7° | 122.8° |
| C12 | C8 | C11 | C7 | 120.4° | 120.0° |
| C12 | C8 | C11 | C10 | 118.1° | 120.0° |
| C12 | C8 | C7 | C10 | 119.7° | 120.0° |
| C12 | C8 | C7 | N2 | 56.4° | 58.6° |
| C12 | C8 | C7 | C5 | 178.7° | 178.6° |
| C12 | C8 | C7 | H3 | 60.4° | 61.5° |
| C12 | C8 | C10 | H4 | 180.0° | 180.0° |
| C12 | C8 | C10 | H5 | 60.0° | 59.9° |
| C12 | C8 | C10 | H6 | 60.0° | 60.0° |
| C12 | C8 | C11 | H27 | 180.0° | 57.6° |
| C12 | C8 | C11 | H28 | 60.0° | 62.3° |
| C12 | C8 | C11 | H29 | 60.0° | 177.7° |
| C8 | C12 | H30 | H31 | 120.0° | 120.1° |
| C8 | C12 | H30 | H32 | 120.0° | 120.0° |
| C8 | C12 | H31 | H32 | 120.0° | 120.0° |
| C11 | C8 | C7 | C10 | 120.2° | 120.0° |
| C11 | C8 | C7 | N2 | 176.6° | 178.5° |
| C11 | C8 | C7 | C5 | 58.6° | 61.5° |
| C11 | C8 | C7 | H3 | 59.7° | 58.5° |
| C11 | C8 | C10 | H4 | 62.1° | 60.0° |
| C11 | C8 | C10 | H5 | 57.9° | 60.0° |
| C11 | C8 | C10 | H6 | 177.9° | 180.0° |
| C8 | C11 | H27 | H28 | 120.0° | 120.0° |
| C8 | C11 | H27 | H29 | 120.0° | 120.1° |
| C8 | C11 | H28 | H29 | 120.0° | 120.0° |
| C11 | C8 | C12 | H30 | 180.0° | 180.0° |
| C11 | C8 | C12 | H31 | 60.0° | 60.0° |
| C11 | C8 | C12 | H32 | 60.0° | 60.0° |
| O3 | C13 | N2 | C7 | 7.2° | 0.0° |
| O3 | C13 | N2 | N4 | 179.5° | 180.0° |
| O3 | C13 | N4 | C14 | 32.5° | 0.0° |
| O3 | C13 | N2 | H25 | 172.8° | 179.9° |
| O3 | C13 | N4 | H33 | 147.5° | 180.0° |
| C15 | C14 | N4 | C13 | 75.0° | 60.0° |
| C15 | C14 | N4 | C17 | 107.9° | 120.0° |
| C15 | C14 | N4 | C16 | 106.6° | 120.0° |
| C15 | C14 | C17 | C16 | 109.4° | 120.0° |
| C14 | C15 | H7 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H9 | 120.0° | 120.0° |
| C14 | C15 | H8 | H9 | 120.0° | 120.0° |
| C15 | C14 | C17 | H10 | 180.0° | 60.0° |
| C15 | C14 | C17 | H11 | 60.0° | 180.0° |
| C15 | C14 | C17 | H12 | 60.0° | 60.0° |
| C15 | C14 | N4 | H33 | 105.0° | 120.0° |
| C15 | C14 | C16 | H34 | 180.0° | 60.0° |
| C15 | C14 | C16 | H35 | 60.0° | 180.0° |
| C15 | C14 | C16 | H36 | 60.0° | 60.0° |
| C28 | C26 | C1 | C27 | 120.0° | 144.7° |
| C28 | C26 | C1 | C4 | 145.8° | 160.8° |
| C26 | C28 | H18 | H19 | 120.0° | 120.0° |
| C26 | C28 | H18 | H20 | 120.0° | 120.0° |
| C26 | C28 | H19 | H20 | 120.0° | 120.1° |
| C28 | C26 | C1 | H21 | 14.4° | 5.7° |
| C28 | C26 | C2 | H22 | 21.2° | 5.5° |
| C28 | C26 | C27 | H46 | 0.9° | 85.6° |
| C28 | C26 | C27 | H47 | 120.9° | 154.4° |
| C28 | C26 | C27 | H48 | 119.1° | 34.4° |
| C26 | C1 | C4 | H21 | 160.2° | 155.6° |
| C26 | C1 | C4 | N1 | 51.4° | 39.5° |
| C26 | C1 | C4 | C6 | 170.3° | 158.2° |
| C26 | C1 | C4 | H2 | 67.2° | 79.4° |
| C1 | C26 | C28 | H18 | 117.3° | 60.0° |
| C1 | C26 | C28 | H19 | 122.6° | 180.0° |
| C1 | C26 | C28 | H20 | 2.7° | 60.0° |
| C1 | C26 | C27 | H46 | 114.5° | 59.8° |
| C1 | C26 | C27 | H47 | 5.5° | 60.1° |
| C1 | C26 | C27 | H48 | 125.5° | 179.9° |
| C27 | C26 | C1 | C4 | 25.8° | 16.1° |
| C27 | C26 | C28 | H18 | 0.9° | 85.4° |
| C27 | C26 | C28 | H19 | 119.1° | 34.5° |
| C27 | C26 | C28 | H20 | 120.9° | 154.6° |
| C27 | C26 | C1 | H21 | 134.4° | 139.0° |
| C27 | C26 | C2 | H22 | 157.7° | 139.1° |
| C26 | C27 | H46 | H47 | 120.0° | 120.0° |
| C26 | C27 | H46 | H48 | 120.0° | 120.1° |
| C26 | C27 | H47 | H48 | 120.0° | 120.0° |
| C8 | C7 | N2 | C5 | 126.1° | 120.0° |
| C8 | C7 | N2 | H3 | 116.4° | 120.0° |
| C8 | C7 | C5 | H3 | 118.3° | 120.0° |
| C8 | C7 | N2 | C13 | 117.9° | 85.0° |
| C8 | C7 | C5 | N1 | 106.6° | 86.9° |
| C8 | C7 | C5 | O2 | 72.8° | 93.1° |
| C7 | C8 | C10 | H4 | 60.3° | 60.0° |
| C7 | C8 | C10 | H5 | 179.8° | 180.0° |
| C7 | C8 | C10 | H6 | 59.8° | 60.0° |
| C8 | C7 | N2 | H25 | 62.1° | 94.9° |
| C7 | C8 | C11 | H27 | 59.6° | 62.4° |
| C7 | C8 | C11 | H28 | 60.4° | 177.7° |
| C7 | C8 | C11 | H29 | 179.6° | 57.7° |
| C7 | C8 | C12 | H30 | 58.0° | 60.0° |
| C7 | C8 | C12 | H31 | 178.0° | 180.0° |
| C7 | C8 | C12 | H32 | 62.0° | 60.0° |
| C10 | C8 | C7 | N2 | 63.2° | 61.5° |
| C10 | C8 | C7 | C5 | 61.6° | 58.5° |
| C10 | C8 | C7 | H3 | 179.9° | 178.5° |
| C8 | C10 | H4 | H5 | 120.0° | 120.0° |
| C8 | C10 | H4 | H6 | 120.0° | 120.0° |
| C8 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C8 | C11 | H27 | 61.9° | 177.7° |
| C10 | C8 | C11 | H28 | 178.1° | 57.7° |
| C10 | C8 | C11 | H29 | 58.1° | 62.3° |
| C10 | C8 | C12 | H30 | 62.5° | 60.0° |
| C10 | C8 | C12 | H31 | 57.6° | 60.0° |
| C10 | C8 | C12 | H32 | 177.5° | 180.0° |
| N2 | C7 | C5 | H3 | 118.0° | 120.0° |
| C7 | N2 | C13 | H25 | 180.0° | 179.9° |
| C7 | N2 | C13 | N4 | 172.4° | 179.9° |
| N2 | C7 | C5 | N1 | 129.8° | 153.1° |
| N2 | C7 | C5 | O2 | 50.8° | 26.9° |
| C5 | C7 | N2 | C13 | 116.0° | 155.0° |
| C7 | C5 | N1 | O2 | 179.4° | 180.0° |
| C7 | C5 | N1 | C4 | 176.7° | 176.2° |
| C5 | C7 | N2 | H25 | 64.0° | 25.1° |
| N2 | C13 | N4 | C14 | 147.9° | 180.0° |
| C13 | N2 | C7 | H3 | 1.5° | 35.1° |
| N2 | C13 | N4 | H33 | 32.1° | 0.0° |
| C13 | N4 | C14 | H33 | 180.0° | 179.9° |
| C13 | N4 | C14 | C17 | 33.0° | 180.0° |
| C13 | N4 | C14 | C16 | 178.4° | 60.1° |
| N4 | C13 | N2 | H25 | 7.6° | 0.0° |
| O1 | C6 | C4 | C1 | 64.2° | 96.7° |
| O1 | C6 | C4 | N1 | 50.4° | 18.5° |
| O1 | C6 | C4 | N3 | 178.5° | 180.0° |
| O1 | C6 | N3 | C9 | 1.0° | 0.0° |
| O1 | C6 | N3 | H1 | 178.9° | 180.0° |
| O1 | C6 | C4 | H2 | 173.4° | 140.9° |
| C1 | C4 | N1 | C5 | 160.2° | 140.4° |
| C1 | C4 | N1 | C6 | 119.5° | 118.8° |
| C1 | C4 | N1 | H2 | 118.0° | 118.9° |
| C1 | C4 | C6 | H2 | 122.4° | 122.4° |
| C1 | C4 | C6 | N3 | 117.3° | 83.4° |
| C4 | C1 | C2 | H22 | 133.3° | 138.3° |
| C5 | N1 | C4 | C6 | 80.3° | 100.8° |
| C5 | N1 | C4 | H2 | 42.2° | 21.5° |
| N1 | C5 | C7 | H3 | 11.7° | 33.1° |
| C5 | N1 | C3 | H23 | 78.2° | 21.8° |
| C5 | N1 | C3 | H24 | 43.6° | 100.9° |
| C4 | N1 | C5 | O2 | 2.7° | 3.8° |
| N1 | C4 | C6 | H2 | 123.0° | 122.3° |
| N1 | C4 | C6 | N3 | 128.2° | 161.4° |
| N1 | C4 | C1 | H21 | 148.4° | 165.0° |
| C4 | N1 | C3 | H23 | 101.7° | 158.5° |
| C4 | N1 | C3 | H24 | 136.4° | 78.9° |
| N4 | C14 | C17 | C16 | 147.9° | 120.0° |
| N4 | C14 | C15 | H7 | 180.0° | 180.0° |
| N4 | C14 | C15 | H8 | 60.0° | 60.0° |
| N4 | C14 | C15 | H9 | 60.0° | 60.0° |
| N4 | C14 | C17 | H10 | 77.3° | 60.0° |
| N4 | C14 | C17 | H11 | 162.7° | 60.0° |
| N4 | C14 | C17 | H12 | 42.7° | 180.0° |
| N4 | C14 | C16 | H34 | 77.2° | 180.0° |
| N4 | C14 | C16 | H35 | 42.8° | 60.0° |
| N4 | C14 | C16 | H36 | 162.8° | 60.0° |
| C17 | C14 | C15 | H7 | 60.6° | 60.0° |
| C17 | C14 | C15 | H8 | 179.3° | 180.0° |
| C17 | C14 | C15 | H9 | 59.4° | 60.0° |
| C14 | C17 | H10 | H11 | 120.0° | 120.0° |
| C14 | C17 | H10 | H12 | 120.0° | 120.0° |
| C14 | C17 | H11 | H12 | 120.0° | 120.1° |
| C17 | C14 | N4 | H33 | 147.0° | 0.0° |
| C17 | C14 | C16 | H34 | 69.4° | 60.0° |
| C17 | C14 | C16 | H35 | 170.6° | 60.0° |
| C17 | C14 | C16 | H36 | 50.6° | 180.0° |
| C16 | C14 | C15 | H7 | 57.3° | 60.0° |
| C16 | C14 | C15 | H8 | 62.7° | 60.0° |
| C16 | C14 | C15 | H9 | 177.3° | 180.0° |
| C16 | C14 | C17 | H10 | 70.6° | 180.0° |
| C16 | C14 | C17 | H11 | 49.4° | 60.0° |
| C16 | C14 | C17 | H12 | 169.4° | 60.0° |
| C16 | C14 | N4 | H33 | 1.6° | 120.0° |
| C14 | C16 | H34 | H35 | 120.0° | 120.1° |
| C14 | C16 | H34 | H36 | 120.0° | 119.9° |
| C14 | C16 | H35 | H36 | 120.0° | 120.0° |
| O2 | C5 | C7 | H3 | 168.9° | 146.9° |
| C25 | N5 | C19 | H38 | 180.0° | 179.9° |
| C25 | N5 | C19 | C18 | 70.6° | 180.0° |
| C25 | N5 | C19 | O4 | 107.9° | 0.1° |
| N5 | C25 | H43 | H44 | 120.0° | 120.0° |
| N5 | C25 | H43 | H45 | 120.0° | 119.9° |
| N5 | C25 | H44 | H45 | 120.0° | 120.0° |
| C4 | C6 | N3 | C9 | 179.5° | 180.0° |
| C4 | C6 | N3 | H1 | 0.4° | 0.0° |
| C6 | C4 | C1 | H21 | 29.5° | 46.2° |
| C6 | N3 | C9 | H1 | 180.0° | 180.0° |
| C6 | N3 | C9 | C18 | 99.7° | 85.0° |
| C6 | N3 | C9 | C20 | 135.0° | 155.0° |
| N3 | C6 | C4 | H2 | 5.1° | 39.1° |
| C6 | N3 | C9 | H26 | 17.7° | 35.0° |
| O5 | C18 | C19 | N5 | 1.4° | 175.0° |
| O5 | C18 | C9 | N3 | 49.8° | 59.9° |
| O5 | C18 | C9 | C19 | 123.6° | 120.0° |
| O5 | C18 | C9 | H37 | 117.4° | 120.0° |
| O5 | C18 | C9 | C20 | 172.6° | 60.0° |
| O5 | C18 | C19 | H37 | 118.4° | 120.0° |
| O5 | C18 | C19 | O4 | 180.0° | 5.0° |
| O5 | C18 | C9 | H26 | 68.3° | 179.9° |
| N5 | C19 | C18 | C9 | 121.5° | 65.0° |
| N5 | C19 | C18 | O4 | 178.6° | 180.0° |
| N5 | C19 | C18 | H37 | 119.7° | 55.0° |
| C19 | N5 | C25 | H43 | 180.0° | 180.0° |
| C19 | N5 | C25 | H44 | 60.0° | 60.0° |
| C19 | N5 | C25 | H45 | 60.0° | 60.1° |
| N3 | C9 | C18 | C20 | 122.8° | 120.0° |
| N3 | C9 | C18 | H26 | 118.1° | 120.0° |
| N3 | C9 | C20 | H26 | 117.7° | 120.0° |
| N3 | C9 | C18 | C19 | 173.4° | 60.0° |
| N3 | C9 | C20 | C21 | 67.9° | 65.0° |
| N3 | C9 | C20 | H13 | 52.4° | 175.0° |
| N3 | C9 | C20 | H14 | 171.7° | 55.0° |
| N3 | C9 | C18 | H37 | 67.7° | 180.0° |
| C23 | C24 | C21 | H16 | 119.2° | 118.1° |
| C23 | C24 | C21 | H17 | 119.2° | 118.1° |
| C24 | C23 | N6 | H40 | 118.9° | 119.0° |
| C24 | C23 | N6 | H41 | 118.9° | 119.0° |
| C23 | C24 | C21 | C20 | 151.2° | 93.9° |
| C23 | C24 | C21 | C22 | 26.9° | 24.8° |
| C24 | C23 | N6 | C22 | 13.8° | 17.0° |
| C23 | C24 | C21 | H15 | 86.9° | 143.6° |
| C23 | C24 | H16 | H17 | 122.3° | 123.8° |
| C24 | C23 | N6 | H39 | 166.2° | 162.9° |
| C24 | C23 | H40 | H41 | 123.2° | 122.0° |
| C24 | C21 | C20 | C9 | 70.7° | 178.8° |
| C21 | C24 | C23 | N6 | 25.0° | 25.4° |
| C24 | C21 | C20 | C22 | 118.8° | 114.8° |
| C24 | C21 | C20 | H15 | 121.9° | 122.7° |
| C24 | C21 | C22 | H15 | 113.7° | 118.8° |
| C24 | C21 | C22 | N6 | 19.5° | 16.3° |
| C24 | C21 | C22 | O6 | 161.9° | 163.7° |
| C24 | C21 | C20 | H13 | 169.0° | 58.7° |
| C24 | C21 | C20 | H14 | 49.7° | 61.2° |
| C21 | C24 | H16 | H17 | 122.3° | 123.8° |
| C21 | C24 | C23 | H40 | 143.9° | 93.6° |
| C21 | C24 | C23 | H41 | 93.9° | 144.4° |
| C18 | C9 | C20 | H26 | 119.0° | 120.0° |
| C9 | C18 | C19 | H37 | 118.8° | 120.0° |
| C9 | C18 | C19 | O4 | 57.1° | 115.0° |
| C18 | C9 | C20 | C21 | 168.7° | 175.0° |
| C18 | C9 | N3 | H1 | 80.3° | 95.0° |
| C18 | C9 | C20 | H13 | 70.9° | 55.0° |
| C18 | C9 | C20 | H14 | 48.3° | 65.0° |
| C9 | C18 | O5 | H42 | 180.0° | 60.0° |
| C20 | C9 | C18 | C19 | 63.8° | 180.0° |
| C9 | C20 | C21 | H13 | 120.3° | 120.0° |
| C9 | C20 | C21 | H14 | 120.4° | 120.0° |
| C9 | C20 | C21 | C22 | 170.5° | 66.4° |
| C20 | C9 | N3 | H1 | 45.0° | 25.0° |
| C9 | C20 | H13 | H14 | 118.9° | 120.1° |
| C9 | C20 | C21 | H15 | 51.2° | 56.1° |
| C20 | C9 | C18 | H37 | 55.2° | 60.0° |
| C19 | C18 | C9 | H26 | 55.3° | 60.0° |
| C18 | C19 | N5 | H38 | 109.3° | 0.1° |
| C19 | C18 | O5 | H42 | 54.0° | 60.0° |
| O4 | C19 | C18 | H37 | 61.7° | 125.0° |
| O4 | C19 | N5 | H38 | 72.1° | 180.0° |
| C23 | N6 | C22 | C21 | 3.6° | 0.4° |
| C23 | N6 | C22 | H39 | 180.0° | 179.9° |
| C23 | N6 | C22 | O6 | 177.7° | 179.6° |
| N6 | C23 | C24 | H16 | 144.2° | 143.5° |
| N6 | C23 | C24 | H17 | 94.2° | 92.7° |
| N6 | C23 | H40 | H41 | 123.2° | 121.9° |
| C20 | C21 | C22 | H15 | 119.2° | 122.5° |
| C20 | C21 | C22 | N6 | 146.5° | 102.4° |
| C20 | C21 | C22 | O6 | 34.8° | 77.6° |
| C21 | C20 | H13 | H14 | 118.9° | 119.9° |
| C20 | C21 | C24 | H16 | 89.6° | 24.2° |
| C20 | C21 | C24 | H17 | 32.0° | 148.0° |
| C21 | C20 | C9 | H26 | 49.8° | 55.0° |
| C21 | C22 | N6 | O6 | 178.6° | 180.0° |
| C22 | C21 | C20 | H13 | 50.2° | 173.5° |
| C22 | C21 | C20 | H14 | 69.1° | 53.6° |
| C22 | C21 | C24 | H16 | 146.1° | 142.9° |
| C22 | C21 | C24 | H17 | 92.3° | 93.3° |
| C21 | C22 | N6 | H39 | 176.4° | 179.6° |
| N6 | C22 | C21 | H15 | 94.2° | 135.1° |
| C22 | N6 | C23 | H40 | 132.7° | 102.0° |
| C22 | N6 | C23 | H41 | 105.1° | 136.0° |
| O6 | C22 | C21 | H15 | 84.4° | 44.9° |
| O6 | C22 | N6 | H39 | 2.2° | 0.4° |
| H1 | N3 | C9 | H26 | 162.2° | 145.0° |
| H2 | C4 | C1 | H21 | 93.0° | 76.2° |
| H3 | C7 | N2 | H25 | 178.5° | 145.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
| H10 | C17 | H11 | H12 | 120.0° | 119.9° |
| H13 | C20 | C21 | H15 | 69.1° | 64.0° |
| H13 | C20 | C9 | H26 | 170.1° | 65.0° |
| H14 | C20 | C21 | H15 | 171.6° | 176.1° |
| H14 | C20 | C9 | H26 | 70.6° | 175.0° |
| H15 | C21 | C24 | H16 | 32.3° | 98.4° |
| H15 | C21 | C24 | H17 | 153.9° | 25.4° |
| H16 | C24 | C23 | H40 | 96.9° | 24.5° |
| H16 | C24 | C23 | H41 | 25.3° | 97.5° |
| H17 | C24 | C23 | H40 | 24.6° | 148.3° |
| H17 | C24 | C23 | H41 | 146.9° | 26.3° |
| H18 | C28 | H19 | H20 | 120.0° | 120.0° |
| H21 | C1 | C2 | H22 | 1.0° | 0.1° |
| H22 | C2 | C3 | H23 | 25.7° | 76.5° |
| H22 | C2 | C3 | H24 | 96.1° | 45.9° |
| H26 | C9 | C18 | H37 | 174.3° | 60.0° |
| H27 | C11 | H28 | H29 | 120.0° | 120.0° |
| H30 | C12 | H31 | H32 | 120.0° | 119.9° |
| H34 | C16 | H35 | H36 | 120.0° | 120.0° |
| H37 | C18 | O5 | H42 | 63.6° | 180.0° |
| H38 | N5 | C25 | H43 | 0.0° | 0.1° |
| H38 | N5 | C25 | H44 | 120.0° | 120.0° |
| H38 | N5 | C25 | H45 | 120.0° | 120.0° |
| H39 | N6 | C23 | H40 | 47.3° | 78.0° |
| H39 | N6 | C23 | H41 | 74.9° | 43.9° |
| H43 | C25 | H44 | H45 | 120.0° | 120.0° |
| H46 | C27 | H47 | H48 | 120.0° | 120.0° |
