IXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C6 | doub | 1.30Å | 1.41Å | |
| N1 | C6 | sing | 1.37Å | 1.43Å | |
| N1 | C5 | sing | 1.46Å | 1.46Å | |
| C6 | N3 | sing | 1.37Å | 1.32Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| O2 | C18 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | N7 | sing | 1.35Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | C7 | sing | 1.51Å | 1.53Å | |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| N7 | C13 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | N5 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N5 | C7 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N6 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N4 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 1.01Å | 1.00Å | |
| N4 | H21 | sing | 1.01Å | 1.00Å | |
| N | H23 | sing | 0.97Å | 1.00Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| N5 | H42 | sing | 0.97Å | 1.00Å | |
| N6 | H43 | sing | 1.01Å | 1.00Å | |
| N6 | H44 | sing | 1.01Å | 1.00Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C6 | N1 | 114.1° | 120.0° |
| N2 | C6 | N3 | 126.5° | 120.0° |
| C6 | N2 | H5 | 112.0° | 120.1° |
| C6 | N1 | C5 | 118.2° | 120.1° |
| N1 | C6 | N3 | 119.4° | 120.0° |
| C6 | N1 | H1 | 120.9° | 120.0° |
| N1 | C5 | C4 | 111.9° | 109.5° |
| C5 | N1 | H1 | 120.9° | 120.0° |
| N1 | C5 | H10 | 108.9° | 109.5° |
| N1 | C5 | H11 | 108.9° | 109.4° |
| C6 | N3 | H12 | 120.0° | 120.0° |
| C6 | N3 | H13 | 120.0° | 120.0° |
| C5 | C4 | C3 | 113.3° | 109.5° |
| C4 | C5 | H10 | 108.8° | 109.5° |
| C4 | C5 | H11 | 108.9° | 109.5° |
| C5 | C4 | H14 | 108.5° | 109.5° |
| C5 | C4 | H15 | 108.5° | 109.5° |
| C4 | C3 | C2 | 112.9° | 109.5° |
| C3 | C4 | H14 | 108.5° | 109.4° |
| C3 | C4 | H15 | 108.5° | 109.4° |
| C4 | C3 | H16 | 108.6° | 109.4° |
| C4 | C3 | H17 | 108.6° | 109.5° |
| C3 | C2 | C1 | 112.8° | 109.5° |
| C2 | C3 | H16 | 108.6° | 109.5° |
| C2 | C3 | H17 | 108.6° | 109.5° |
| C3 | C2 | H18 | 108.7° | 109.5° |
| C3 | C2 | H19 | 108.6° | 109.4° |
| C2 | C1 | N | 112.6° | 109.5° |
| C2 | C1 | H8 | 108.7° | 109.5° |
| C2 | C1 | H9 | 108.7° | 109.5° |
| C1 | C2 | H18 | 108.6° | 109.5° |
| C1 | C2 | H19 | 108.6° | 109.5° |
| C1 | N | C | 122.6° | 120.0° |
| N | C1 | H8 | 108.7° | 109.5° |
| N | C1 | H9 | 108.7° | 109.5° |
| C1 | N | H23 | 118.7° | 120.0° |
| O2 | C18 | C19 | 121.7° | 120.0° |
| O2 | C18 | N7 | 122.6° | 120.0° |
| C20 | C19 | C18 | 112.3° | 109.5° |
| C20 | C19 | H37 | 108.8° | 109.4° |
| C20 | C19 | H38 | 108.7° | 109.5° |
| C19 | C20 | H39 | 109.5° | 109.5° |
| C19 | C20 | H40 | 109.4° | 109.5° |
| C19 | C20 | H41 | 109.5° | 109.5° |
| N | C | O | 122.8° | 120.0° |
| N | C | C7 | 116.5° | 120.0° |
| C | N | H23 | 118.7° | 120.0° |
| C19 | C18 | N7 | 115.7° | 120.0° |
| C18 | C19 | H37 | 108.8° | 109.5° |
| C18 | C19 | H38 | 108.8° | 109.5° |
| C18 | N7 | C13 | 122.1° | 120.0° |
| C18 | N7 | H46 | 118.9° | 120.0° |
| O | C | C7 | 120.7° | 120.0° |
| C | C7 | N5 | 112.6° | 109.5° |
| C | C7 | C8 | 110.1° | 109.4° |
| C | C7 | H2 | 107.6° | 109.5° |
| O3 | C12 | C13 | 120.5° | 120.0° |
| O3 | C12 | N5 | 123.3° | 119.9° |
| N7 | C13 | C12 | 110.8° | 109.5° |
| N7 | C13 | C14 | 111.0° | 109.5° |
| N7 | C13 | H28 | 109.4° | 109.5° |
| C13 | N7 | H46 | 118.9° | 120.0° |
| C13 | C12 | N5 | 116.2° | 120.0° |
| C12 | C13 | C14 | 108.7° | 109.5° |
| C12 | C13 | H28 | 108.4° | 109.4° |
| C12 | N5 | C7 | 122.1° | 120.1° |
| C12 | N5 | H42 | 118.9° | 120.0° |
| C13 | C14 | C15 | 114.6° | 109.5° |
| C14 | C13 | H28 | 108.4° | 109.5° |
| C13 | C14 | H29 | 108.2° | 109.5° |
| C13 | C14 | H30 | 108.2° | 109.5° |
| N5 | C7 | C8 | 110.4° | 109.5° |
| N5 | C7 | H2 | 108.5° | 109.5° |
| C7 | N5 | H42 | 119.0° | 120.0° |
| C7 | C8 | C9 | 112.7° | 109.4° |
| C8 | C7 | H2 | 107.6° | 109.4° |
| C7 | C8 | H3 | 108.6° | 109.5° |
| C7 | C8 | H4 | 108.6° | 109.4° |
| C14 | C15 | C16 | 112.5° | 109.5° |
| C15 | C14 | H29 | 108.2° | 109.5° |
| C15 | C14 | H30 | 108.2° | 109.5° |
| C14 | C15 | H31 | 108.7° | 109.5° |
| C14 | C15 | H32 | 108.7° | 109.5° |
| C15 | C16 | C17 | 112.5° | 109.5° |
| C16 | C15 | H31 | 108.7° | 109.4° |
| C16 | C15 | H32 | 108.7° | 109.5° |
| C15 | C16 | H33 | 108.7° | 109.4° |
| C15 | C16 | H34 | 108.7° | 109.5° |
| C8 | C9 | C10 | 114.2° | 109.4° |
| C9 | C8 | H3 | 108.7° | 109.5° |
| C9 | C8 | H4 | 108.6° | 109.5° |
| C8 | C9 | H6 | 108.3° | 109.5° |
| C8 | C9 | H7 | 108.3° | 109.4° |
| C9 | C10 | C11 | 111.7° | 109.5° |
| C10 | C9 | H6 | 108.3° | 109.5° |
| C10 | C9 | H7 | 108.3° | 109.5° |
| C9 | C10 | H24 | 108.9° | 109.5° |
| C9 | C10 | H25 | 108.9° | 109.5° |
| C16 | C17 | N6 | 111.8° | 109.5° |
| C17 | C16 | H33 | 108.7° | 109.4° |
| C17 | C16 | H34 | 108.7° | 109.5° |
| C16 | C17 | H35 | 108.9° | 109.4° |
| C16 | C17 | H36 | 108.9° | 109.5° |
| N6 | C17 | H35 | 108.9° | 109.5° |
| N6 | C17 | H36 | 108.9° | 109.5° |
| C17 | N6 | H43 | 109.5° | 111.0° |
| C17 | N6 | H44 | 109.4° | 111.0° |
| C10 | C11 | N4 | 114.0° | 109.5° |
| C11 | C10 | H24 | 108.9° | 109.4° |
| C11 | C10 | H25 | 108.9° | 109.5° |
| C10 | C11 | H26 | 108.3° | 109.5° |
| C10 | C11 | H27 | 108.3° | 109.4° |
| C11 | N4 | H20 | 109.5° | 111.0° |
| C11 | N4 | H21 | 109.4° | 111.0° |
| N4 | C11 | H26 | 108.3° | 109.5° |
| N4 | C11 | H27 | 108.3° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H12 | N3 | H13 | 120.0° | 120.0° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.4° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H20 | N4 | H21 | 109.5° | 111.0° |
| H24 | C10 | H25 | 109.5° | 109.4° |
| H26 | C11 | H27 | 109.5° | 109.5° |
| H29 | C14 | H30 | 109.5° | 109.5° |
| H31 | C15 | H32 | 109.4° | 109.4° |
| H33 | C16 | H34 | 109.5° | 109.5° |
| H35 | C17 | H36 | 109.5° | 109.5° |
| H37 | C19 | H38 | 109.4° | 109.5° |
| H39 | C20 | H40 | 109.5° | 109.5° |
| H39 | C20 | H41 | 109.5° | 109.5° |
| H40 | C20 | H41 | 109.5° | 109.4° |
| H43 | N6 | H44 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C6 | N1 | N3 | 179.9° | 179.9° |
| N2 | C6 | N1 | C5 | 170.7° | 0.0° |
| N2 | C6 | N1 | H1 | 9.3° | 179.8° |
| N2 | C6 | N3 | H12 | 179.9° | 180.0° |
| N2 | C6 | N3 | H13 | 0.1° | 0.1° |
| C6 | N1 | C5 | H1 | 180.0° | 179.7° |
| C6 | N1 | C5 | C4 | 160.5° | 180.0° |
| N1 | C6 | N2 | H5 | 179.9° | 180.0° |
| C6 | N1 | C5 | H10 | 40.2° | 60.0° |
| C6 | N1 | C5 | H11 | 79.1° | 59.9° |
| N1 | C6 | N3 | H12 | 0.0° | 0.1° |
| N1 | C6 | N3 | H13 | 180.0° | 180.0° |
| C5 | N1 | C6 | N3 | 9.2° | 180.0° |
| N1 | C5 | C4 | H10 | 120.3° | 120.0° |
| N1 | C5 | C4 | H11 | 120.4° | 120.0° |
| N1 | C5 | C4 | C3 | 179.7° | 180.0° |
| N1 | C5 | H10 | H11 | 118.9° | 119.9° |
| N1 | C5 | C4 | H14 | 59.2° | 60.0° |
| N1 | C5 | C4 | H15 | 59.7° | 60.0° |
| N3 | C6 | N1 | H1 | 170.8° | 0.3° |
| N3 | C6 | N2 | H5 | 0.0° | 0.0° |
| C6 | N3 | H12 | H13 | 179.9° | 179.9° |
| C5 | C4 | C3 | H14 | 120.6° | 120.0° |
| C5 | C4 | C3 | H15 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 175.0° | 180.0° |
| C4 | C5 | N1 | H1 | 19.5° | 0.3° |
| C4 | C5 | H10 | H11 | 118.9° | 120.0° |
| C5 | C4 | H14 | H15 | 118.2° | 120.0° |
| C5 | C4 | C3 | H16 | 54.5° | 60.0° |
| C5 | C4 | C3 | H17 | 64.5° | 60.0° |
| C4 | C3 | C2 | H16 | 120.5° | 120.0° |
| C4 | C3 | C2 | H17 | 120.5° | 120.1° |
| C4 | C3 | C2 | C1 | 173.4° | 180.0° |
| C3 | C4 | C5 | H10 | 59.9° | 60.0° |
| C3 | C4 | C5 | H11 | 59.4° | 60.0° |
| C3 | C4 | H14 | H15 | 118.3° | 120.0° |
| C4 | C3 | H16 | H17 | 118.5° | 120.0° |
| C4 | C3 | C2 | H18 | 66.1° | 60.0° |
| C4 | C3 | C2 | H19 | 52.9° | 60.0° |
| C3 | C2 | C1 | H18 | 120.5° | 120.0° |
| C3 | C2 | C1 | H19 | 120.5° | 120.0° |
| C3 | C2 | C1 | N | 58.0° | 180.0° |
| C3 | C2 | C1 | H8 | 62.4° | 60.0° |
| C3 | C2 | C1 | H9 | 178.5° | 60.0° |
| C2 | C3 | C4 | H14 | 64.5° | 60.0° |
| C2 | C3 | C4 | H15 | 54.4° | 60.0° |
| C2 | C3 | H16 | H17 | 118.4° | 120.0° |
| C3 | C2 | H18 | H19 | 118.5° | 120.0° |
| C2 | C1 | N | H8 | 120.4° | 120.0° |
| C2 | C1 | N | H9 | 120.5° | 120.0° |
| C2 | C1 | N | C | 103.2° | 180.0° |
| C2 | C1 | H8 | H9 | 118.6° | 120.0° |
| C1 | C2 | C3 | H16 | 52.9° | 60.0° |
| C1 | C2 | C3 | H17 | 66.1° | 59.9° |
| C1 | C2 | H18 | H19 | 118.5° | 120.0° |
| C2 | C1 | N | H23 | 76.8° | 0.0° |
| C1 | N | C | H23 | 180.0° | 179.9° |
| C1 | N | C | O | 0.8° | 0.1° |
| C1 | N | C | C7 | 179.0° | 180.0° |
| N | C1 | H8 | H9 | 118.6° | 120.0° |
| N | C1 | C2 | H18 | 178.5° | 60.0° |
| N | C1 | C2 | H19 | 62.5° | 60.0° |
| O2 | C18 | C19 | C20 | 74.1° | 0.0° |
| O2 | C18 | C19 | N7 | 179.9° | 180.0° |
| O2 | C18 | N7 | C13 | 4.2° | 0.0° |
| O2 | C18 | C19 | H37 | 46.4° | 120.0° |
| O2 | C18 | C19 | H38 | 165.5° | 120.0° |
| O2 | C18 | N7 | H46 | 175.8° | 180.0° |
| C20 | C19 | C18 | H37 | 120.5° | 120.0° |
| C20 | C19 | C18 | H38 | 120.4° | 120.0° |
| C20 | C19 | C18 | N7 | 105.8° | 180.0° |
| C20 | C19 | H37 | H38 | 118.7° | 120.0° |
| C19 | C20 | H39 | H40 | 120.0° | 120.0° |
| C19 | C20 | H39 | H41 | 120.0° | 120.1° |
| C19 | C20 | H40 | H41 | 120.0° | 120.0° |
| N | C | O | C7 | 179.8° | 179.9° |
| N | C | C7 | N5 | 102.5° | 180.0° |
| N | C | C7 | C8 | 133.9° | 60.0° |
| N | C | C7 | H2 | 16.9° | 59.9° |
| C | N | C1 | H8 | 17.2° | 60.0° |
| C | N | C1 | H9 | 136.3° | 60.0° |
| C19 | C18 | N7 | C13 | 175.7° | 180.0° |
| C18 | C19 | H37 | H38 | 118.7° | 120.0° |
| C18 | C19 | C20 | H39 | 180.0° | 180.0° |
| C18 | C19 | C20 | H40 | 60.0° | 60.0° |
| C18 | C19 | C20 | H41 | 60.0° | 60.0° |
| C19 | C18 | N7 | H46 | 4.3° | 0.0° |
| C18 | N7 | C13 | H46 | 180.0° | 179.9° |
| C18 | N7 | C13 | C12 | 94.6° | 60.0° |
| C18 | N7 | C13 | C14 | 144.5° | 60.0° |
| C18 | N7 | C13 | H28 | 24.9° | 180.0° |
| N7 | C18 | C19 | H37 | 133.7° | 60.0° |
| N7 | C18 | C19 | H38 | 14.6° | 60.0° |
| O | C | C7 | N5 | 77.6° | 0.1° |
| O | C | C7 | C8 | 46.0° | 120.0° |
| O | C | C7 | H2 | 162.9° | 120.0° |
| O | C | N | H23 | 179.2° | 180.0° |
| C | C7 | N5 | C12 | 101.8° | 155.0° |
| C | C7 | N5 | C8 | 123.4° | 120.0° |
| C | C7 | N5 | H2 | 118.9° | 120.1° |
| C | C7 | C8 | H2 | 116.9° | 120.0° |
| C | C7 | C8 | C9 | 178.3° | 175.0° |
| C | C7 | C8 | H3 | 57.8° | 65.0° |
| C | C7 | C8 | H4 | 61.2° | 55.0° |
| C7 | C | N | H23 | 1.0° | 0.1° |
| C | C7 | N5 | H42 | 78.2° | 24.9° |
| O3 | C12 | C13 | N7 | 156.3° | 20.0° |
| O3 | C12 | C13 | N5 | 179.3° | 180.0° |
| O3 | C12 | C13 | C14 | 81.4° | 100.0° |
| O3 | C12 | N5 | C7 | 4.5° | 0.0° |
| O3 | C12 | C13 | H28 | 36.3° | 140.0° |
| O3 | C12 | N5 | H42 | 175.5° | 180.0° |
| N7 | C13 | C12 | C14 | 122.3° | 120.0° |
| N7 | C13 | C12 | H28 | 120.0° | 120.0° |
| N7 | C13 | C12 | N5 | 24.3° | 160.0° |
| N7 | C13 | C14 | H28 | 120.2° | 120.0° |
| N7 | C13 | C14 | C15 | 74.3° | 65.0° |
| N7 | C13 | C14 | H29 | 46.5° | 55.0° |
| N7 | C13 | C14 | H30 | 164.9° | 175.0° |
| C12 | C13 | C14 | H28 | 117.7° | 120.0° |
| C13 | C12 | N5 | C7 | 174.9° | 180.0° |
| C12 | C13 | C14 | C15 | 163.5° | 175.0° |
| C12 | C13 | C14 | H29 | 75.7° | 65.0° |
| C12 | C13 | C14 | H30 | 42.8° | 55.0° |
| C13 | C12 | N5 | H42 | 5.1° | 0.0° |
| C12 | C13 | N7 | H46 | 85.4° | 120.0° |
| N5 | C12 | C13 | C14 | 98.0° | 80.0° |
| C12 | N5 | C7 | H42 | 180.0° | 179.9° |
| C12 | N5 | C7 | C8 | 134.8° | 85.0° |
| C12 | N5 | C7 | H2 | 17.2° | 34.9° |
| N5 | C12 | C13 | H28 | 144.3° | 40.0° |
| C13 | C14 | C15 | H29 | 120.7° | 120.0° |
| C13 | C14 | C15 | H30 | 120.8° | 120.0° |
| C13 | C14 | C15 | C16 | 175.1° | 180.0° |
| C13 | C14 | H29 | H30 | 117.7° | 120.0° |
| C13 | C14 | C15 | H31 | 64.5° | 60.0° |
| C13 | C14 | C15 | H32 | 54.6° | 60.0° |
| C14 | C13 | N7 | H46 | 35.5° | 120.0° |
| N5 | C7 | C8 | H2 | 118.2° | 120.0° |
| N5 | C7 | C8 | C9 | 53.4° | 65.0° |
| N5 | C7 | C8 | H3 | 67.1° | 55.0° |
| N5 | C7 | C8 | H4 | 173.9° | 175.0° |
| C7 | C8 | C9 | H3 | 120.5° | 120.0° |
| C7 | C8 | C9 | H4 | 120.5° | 120.0° |
| C7 | C8 | C9 | C10 | 74.9° | 180.0° |
| C7 | C8 | H3 | H4 | 118.5° | 120.0° |
| C7 | C8 | C9 | H6 | 45.9° | 60.0° |
| C7 | C8 | C9 | H7 | 164.5° | 60.0° |
| C8 | C7 | N5 | H42 | 45.2° | 95.0° |
| C14 | C15 | C16 | H31 | 120.5° | 120.0° |
| C14 | C15 | C16 | H32 | 120.5° | 120.1° |
| C14 | C15 | C16 | C17 | 177.3° | 180.0° |
| C15 | C14 | C13 | H28 | 45.9° | 55.0° |
| C15 | C14 | H29 | H30 | 117.7° | 120.0° |
| C14 | C15 | H31 | H32 | 118.6° | 120.0° |
| C14 | C15 | C16 | H33 | 62.3° | 60.0° |
| C14 | C15 | C16 | H34 | 56.9° | 60.0° |
| C15 | C16 | C17 | H33 | 120.5° | 120.0° |
| C15 | C16 | C17 | H34 | 120.4° | 120.0° |
| C15 | C16 | C17 | N6 | 177.1° | 180.0° |
| C16 | C15 | C14 | H29 | 54.3° | 60.0° |
| C16 | C15 | C14 | H30 | 64.2° | 60.0° |
| C16 | C15 | H31 | H32 | 118.6° | 120.0° |
| C15 | C16 | H33 | H34 | 118.6° | 120.0° |
| C15 | C16 | C17 | H35 | 56.7° | 60.0° |
| C15 | C16 | C17 | H36 | 62.6° | 60.0° |
| C8 | C9 | C10 | H6 | 120.7° | 120.0° |
| C8 | C9 | C10 | H7 | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 169.9° | 180.0° |
| C9 | C8 | C7 | H2 | 64.8° | 55.0° |
| C9 | C8 | H3 | H4 | 118.5° | 120.0° |
| C8 | C9 | H6 | H7 | 117.9° | 120.0° |
| C8 | C9 | C10 | H24 | 49.6° | 60.0° |
| C8 | C9 | C10 | H25 | 69.7° | 60.0° |
| C9 | C10 | C11 | H24 | 120.3° | 120.0° |
| C9 | C10 | C11 | H25 | 120.3° | 120.1° |
| C9 | C10 | C11 | N4 | 175.3° | 180.0° |
| C10 | C9 | C8 | H3 | 164.7° | 60.0° |
| C10 | C9 | C8 | H4 | 45.6° | 60.0° |
| C10 | C9 | H6 | H7 | 117.8° | 120.0° |
| C9 | C10 | H24 | H25 | 118.9° | 120.1° |
| C9 | C10 | C11 | H26 | 64.0° | 60.0° |
| C9 | C10 | C11 | H27 | 54.7° | 60.0° |
| C16 | C17 | N6 | H35 | 120.3° | 120.0° |
| C16 | C17 | N6 | H36 | 120.3° | 120.0° |
| C17 | C16 | C15 | H31 | 56.8° | 60.0° |
| C17 | C16 | C15 | H32 | 62.2° | 59.9° |
| C17 | C16 | H33 | H34 | 118.6° | 120.0° |
| C16 | C17 | H35 | H36 | 118.9° | 120.0° |
| C16 | C17 | N6 | H43 | 180.0° | 180.0° |
| C16 | C17 | N6 | H44 | 60.0° | 56.1° |
| N6 | C17 | C16 | H33 | 62.4° | 60.0° |
| N6 | C17 | C16 | H34 | 56.7° | 60.0° |
| N6 | C17 | H35 | H36 | 119.0° | 120.0° |
| C17 | N6 | H43 | H44 | 120.0° | 123.9° |
| C10 | C11 | N4 | H26 | 120.7° | 120.1° |
| C10 | C11 | N4 | H27 | 120.7° | 119.9° |
| C11 | C10 | C9 | H6 | 69.4° | 60.0° |
| C11 | C10 | C9 | H7 | 49.2° | 60.0° |
| C10 | C11 | N4 | H20 | 180.0° | 56.0° |
| C10 | C11 | N4 | H21 | 60.0° | 180.0° |
| C11 | C10 | H24 | H25 | 119.0° | 120.0° |
| C10 | C11 | H26 | H27 | 117.9° | 120.0° |
| C11 | N4 | H20 | H21 | 120.0° | 123.9° |
| N4 | C11 | C10 | H24 | 55.0° | 60.0° |
| N4 | C11 | C10 | H25 | 64.3° | 59.9° |
| N4 | C11 | H26 | H27 | 118.0° | 120.0° |
| H1 | N1 | C5 | H10 | 139.8° | 119.8° |
| H1 | N1 | C5 | H11 | 100.9° | 120.3° |
| H2 | C7 | C8 | H3 | 174.7° | 175.0° |
| H2 | C7 | C8 | H4 | 55.7° | 65.0° |
| H2 | C7 | N5 | H42 | 162.9° | 145.0° |
| H3 | C8 | C9 | H6 | 74.6° | 180.0° |
| H3 | C8 | C9 | H7 | 44.0° | 60.0° |
| H4 | C8 | C9 | H6 | 166.3° | 60.0° |
| H4 | C8 | C9 | H7 | 75.1° | 180.0° |
| H6 | C9 | C10 | H24 | 170.3° | 180.0° |
| H6 | C9 | C10 | H25 | 51.0° | 60.0° |
| H7 | C9 | C10 | H24 | 71.1° | 59.9° |
| H7 | C9 | C10 | H25 | 169.6° | 180.0° |
| H8 | C1 | C2 | H18 | 58.1° | 60.0° |
| H8 | C1 | C2 | H19 | 177.1° | 180.0° |
| H8 | C1 | N | H23 | 162.8° | 120.0° |
| H9 | C1 | C2 | H18 | 61.0° | 180.0° |
| H9 | C1 | C2 | H19 | 58.0° | 60.0° |
| H9 | C1 | N | H23 | 43.7° | 120.0° |
| H10 | C5 | C4 | H14 | 179.5° | 180.0° |
| H10 | C5 | C4 | H15 | 60.6° | 60.0° |
| H11 | C5 | C4 | H14 | 61.2° | 60.0° |
| H11 | C5 | C4 | H15 | 179.9° | 180.0° |
| H14 | C4 | C3 | H16 | 175.0° | 180.0° |
| H14 | C4 | C3 | H17 | 56.0° | 60.0° |
| H15 | C4 | C3 | H16 | 66.1° | 60.0° |
| H15 | C4 | C3 | H17 | 174.9° | 180.0° |
| H16 | C3 | C2 | H18 | 173.4° | 60.0° |
| H16 | C3 | C2 | H19 | 67.6° | 180.0° |
| H17 | C3 | C2 | H18 | 54.4° | 180.0° |
| H17 | C3 | C2 | H19 | 173.4° | 60.0° |
| H20 | N4 | C11 | H26 | 59.3° | 176.1° |
| H20 | N4 | C11 | H27 | 59.3° | 63.9° |
| H21 | N4 | C11 | H26 | 179.4° | 60.0° |
| H21 | N4 | C11 | H27 | 60.7° | 60.0° |
| H24 | C10 | C11 | H26 | 175.7° | 60.0° |
| H24 | C10 | C11 | H27 | 65.6° | 180.0° |
| H25 | C10 | C11 | H26 | 56.4° | 180.0° |
| H25 | C10 | C11 | H27 | 175.0° | 60.0° |
| H28 | C13 | C14 | H29 | 166.6° | 175.0° |
| H28 | C13 | C14 | H30 | 74.9° | 65.0° |
| H28 | C13 | N7 | H46 | 155.1° | 0.0° |
| H29 | C14 | C15 | H31 | 174.8° | 180.0° |
| H29 | C14 | C15 | H32 | 66.2° | 60.0° |
| H30 | C14 | C15 | H31 | 56.3° | 60.0° |
| H30 | C14 | C15 | H32 | 175.4° | 180.0° |
| H31 | C15 | C16 | H33 | 177.3° | 180.0° |
| H31 | C15 | C16 | H34 | 63.6° | 60.0° |
| H32 | C15 | C16 | H33 | 58.2° | 60.0° |
| H32 | C15 | C16 | H34 | 177.3° | 179.9° |
| H33 | C16 | C17 | H35 | 177.2° | NaN° |
| H33 | C16 | C17 | H36 | 57.9° | 60.0° |
| H34 | C16 | C17 | H35 | 63.7° | 60.0° |
| H34 | C16 | C17 | H36 | 177.0° | 180.0° |
| H35 | C17 | N6 | H43 | 59.7° | 60.1° |
| H35 | C17 | N6 | H44 | 179.7° | 176.0° |
| H36 | C17 | N6 | H43 | 59.7° | 60.0° |
| H36 | C17 | N6 | H44 | 60.3° | 63.9° |
| H37 | C19 | C20 | H39 | 59.5° | 60.0° |
| H37 | C19 | C20 | H40 | 60.4° | 180.0° |
| H37 | C19 | C20 | H41 | 179.6° | 60.0° |
| H38 | C19 | C20 | H39 | 59.6° | 60.0° |
| H38 | C19 | C20 | H40 | 179.6° | 60.0° |
| H38 | C19 | C20 | H41 | 60.4° | 180.0° |
| H39 | C20 | H40 | H41 | 120.0° | 120.0° |
