65I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O5 | sing | 1.43Å | 1.40Å | |
| O5 | P | sing | 1.61Å | 1.65Å | |
| O4 | P | doub | 1.48Å | 1.46Å | |
| P | O3 | sing | 1.61Å | 1.46Å | |
| P | O2 | sing | 1.61Å | 1.65Å | |
| O2 | C8 | sing | 1.43Å | 1.40Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | O6 | sing | 1.45Å | 1.41Å | |
| O1 | C6 | sing | 1.45Å | 1.40Å | |
| O1 | C5 | sing | 1.34Å | 1.39Å | |
| O6 | C11 | sing | 1.34Å | 1.41Å | |
| C5 | O | doub | 1.21Å | 1.18Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C11 | O7 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| O3 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C10 | C9 | 109.4° | 109.5° |
| C10 | N | H1 | 109.5° | 111.0° |
| C10 | N | H2 | 109.5° | 111.0° |
| N | C10 | H9 | 109.5° | 109.5° |
| N | C10 | H10 | 109.5° | 109.4° |
| C10 | C9 | O5 | 109.0° | 109.4° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C10 | C9 | H43 | 109.6° | 109.5° |
| C10 | C9 | H44 | 109.6° | 109.5° |
| C9 | O5 | P | 118.5° | 123.0° |
| O5 | C9 | H43 | 109.6° | 109.4° |
| O5 | C9 | H44 | 109.6° | 109.5° |
| O5 | P | O4 | 111.0° | 109.5° |
| O5 | P | O3 | 110.9° | 109.5° |
| O5 | P | O2 | 110.9° | 109.4° |
| O4 | P | O3 | 101.0° | 109.5° |
| O4 | P | O2 | 110.9° | 109.5° |
| O3 | P | O2 | 111.9° | 109.4° |
| P | O3 | H45 | 109.5° | 114.0° |
| P | O2 | C8 | 117.3° | 123.0° |
| O2 | C8 | C7 | 110.7° | 109.4° |
| O2 | C8 | H41 | 109.2° | 109.5° |
| O2 | C8 | H42 | 109.2° | 109.5° |
| C8 | C7 | C6 | 108.1° | 109.5° |
| C8 | C7 | O6 | 110.4° | 109.5° |
| C8 | C7 | H40 | 109.4° | 109.5° |
| C7 | C8 | H41 | 109.2° | 109.5° |
| C7 | C8 | H42 | 109.2° | 109.5° |
| C6 | C7 | O6 | 108.6° | 109.4° |
| C7 | C6 | O1 | 108.2° | 109.5° |
| C7 | C6 | H38 | 109.8° | 109.5° |
| C7 | C6 | H39 | 109.8° | 109.5° |
| C6 | C7 | H40 | 109.4° | 109.5° |
| C7 | O6 | C11 | 117.5° | 116.9° |
| O6 | C7 | H40 | 111.0° | 109.5° |
| C6 | O1 | C5 | 113.4° | 117.0° |
| O1 | C6 | H38 | 109.8° | 109.5° |
| O1 | C6 | H39 | 109.8° | 109.4° |
| O1 | C5 | O | 119.9° | 120.0° |
| O1 | C5 | C4 | 119.5° | 120.0° |
| O6 | C11 | O7 | 120.5° | 120.0° |
| O6 | C11 | C12 | 123.2° | 119.9° |
| O | C5 | C4 | 120.6° | 120.0° |
| C5 | C4 | C3 | 109.1° | 109.5° |
| C5 | C4 | H36 | 109.5° | 109.5° |
| C5 | C4 | H37 | 109.6° | 109.5° |
| O7 | C11 | C12 | 116.3° | 120.0° |
| C11 | C12 | C13 | 112.6° | 109.5° |
| C11 | C12 | H11 | 108.7° | 109.4° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C12 | C13 | C14 | 110.4° | 109.5° |
| C13 | C12 | H11 | 108.7° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C12 | C13 | H13 | 109.2° | 109.5° |
| C12 | C13 | H14 | 109.2° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C14 | C13 | H13 | 109.2° | 109.4° |
| C14 | C13 | H14 | 109.2° | 109.4° |
| C13 | C14 | H15 | 109.1° | 109.5° |
| C13 | C14 | H16 | 109.1° | 109.5° |
| C16 | C15 | C14 | 113.1° | 109.4° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C16 | C15 | H17 | 108.5° | 109.5° |
| C16 | C15 | H18 | 108.6° | 109.5° |
| C15 | C16 | H19 | 109.1° | 109.5° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C15 | C14 | H15 | 109.1° | 109.5° |
| C15 | C14 | H16 | 109.1° | 109.5° |
| C14 | C15 | H17 | 108.6° | 109.5° |
| C14 | C15 | H18 | 108.6° | 109.5° |
| C4 | C3 | C2 | 109.6° | 109.5° |
| C4 | C3 | H34 | 109.4° | 109.5° |
| C4 | C3 | H35 | 109.4° | 109.5° |
| C3 | C4 | H36 | 109.6° | 109.5° |
| C3 | C4 | H37 | 109.5° | 109.4° |
| C16 | C17 | C18 | 109.1° | 109.4° |
| C17 | C16 | H19 | 109.1° | 109.5° |
| C17 | C16 | H20 | 109.1° | 109.4° |
| C16 | C17 | H21 | 109.6° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C3 | C2 | C1 | 110.3° | 109.5° |
| C3 | C2 | H27 | 109.3° | 109.5° |
| C3 | C2 | H28 | 109.3° | 109.5° |
| C2 | C3 | H34 | 109.4° | 109.5° |
| C2 | C3 | H35 | 109.5° | 109.5° |
| C17 | C18 | C19 | 110.7° | 109.4° |
| C18 | C17 | H21 | 109.5° | 109.5° |
| C18 | C17 | H22 | 109.6° | 109.4° |
| C17 | C18 | H23 | 109.1° | 109.5° |
| C17 | C18 | H24 | 109.2° | 109.5° |
| C18 | C19 | C20 | 113.5° | 109.5° |
| C19 | C18 | H23 | 109.2° | 109.5° |
| C19 | C18 | H24 | 109.1° | 109.4° |
| C18 | C19 | H25 | 108.5° | 109.5° |
| C18 | C19 | H26 | 108.5° | 109.5° |
| C2 | C1 | C | 109.6° | 109.5° |
| C2 | C1 | H7 | 109.4° | 109.5° |
| C2 | C1 | H8 | 109.4° | 109.5° |
| C1 | C2 | H27 | 109.3° | 109.5° |
| C1 | C2 | H28 | 109.3° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.4° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C | C1 | H7 | 109.4° | 109.5° |
| C | C1 | H8 | 109.5° | 109.4° |
| C19 | C20 | C21 | 108.8° | 109.5° |
| C20 | C19 | H25 | 108.4° | 109.5° |
| C20 | C19 | H26 | 108.5° | 109.4° |
| C19 | C20 | H29 | 109.7° | 109.5° |
| C19 | C20 | H30 | 109.6° | 109.5° |
| C21 | C20 | H29 | 109.7° | 109.4° |
| C21 | C20 | H30 | 109.7° | 109.5° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.4° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| H1 | N | H2 | 109.5° | 111.0° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.4° | 109.4° |
| H27 | C2 | H28 | 109.4° | 109.4° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.4° |
| H31 | C21 | H33 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.5° |
| H34 | C3 | H35 | 109.5° | 109.4° |
| H36 | C4 | H37 | 109.5° | 109.4° |
| H38 | C6 | H39 | 109.5° | 109.4° |
| H41 | C8 | H42 | 109.4° | 109.5° |
| H43 | C9 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C10 | C9 | H9 | 120.0° | 120.1° |
| N | C10 | C9 | H10 | 120.0° | 119.9° |
| N | C10 | C9 | O5 | 146.5° | 65.1° |
| C10 | N | H1 | H2 | 120.0° | 123.9° |
| N | C10 | H9 | H10 | 120.0° | 120.0° |
| N | C10 | C9 | H43 | 26.6° | 175.0° |
| N | C10 | C9 | H44 | 93.6° | 54.9° |
| C10 | C9 | O5 | H43 | 119.9° | 120.0° |
| C10 | C9 | O5 | H44 | 119.9° | 120.1° |
| C10 | C9 | O5 | P | 104.7° | 180.0° |
| C9 | C10 | N | H1 | 180.0° | 180.0° |
| C9 | C10 | N | H2 | 60.0° | 56.1° |
| C9 | C10 | H9 | H10 | 120.1° | 120.0° |
| C10 | C9 | H43 | H44 | 120.2° | 120.1° |
| C9 | O5 | P | O4 | 66.4° | 55.0° |
| C9 | O5 | P | O3 | 44.9° | 65.0° |
| C9 | O5 | P | O2 | 169.8° | 175.1° |
| O5 | C9 | C10 | H9 | 93.5° | 55.0° |
| O5 | C9 | C10 | H10 | 26.6° | 175.0° |
| O5 | C9 | H43 | H44 | 120.2° | 120.0° |
| O5 | P | O4 | O3 | 117.6° | 120.0° |
| O5 | P | O4 | O2 | 123.7° | 120.0° |
| O5 | P | O3 | O2 | 124.3° | 119.9° |
| O5 | P | O2 | C8 | 170.9° | 175.0° |
| P | O5 | C9 | H43 | 15.2° | 60.0° |
| P | O5 | C9 | H44 | 135.3° | 60.0° |
| O5 | P | O3 | H45 | 117.7° | 60.0° |
| O4 | P | O3 | O2 | 118.0° | 120.0° |
| O4 | P | O2 | C8 | 47.1° | 55.0° |
| O4 | P | O3 | H45 | 0.0° | 180.0° |
| O3 | P | O2 | C8 | 64.8° | 65.1° |
| P | O2 | C8 | C7 | 151.4° | 180.0° |
| P | O2 | C8 | H41 | 88.4° | 60.1° |
| P | O2 | C8 | H42 | 31.2° | 60.0° |
| O2 | P | O3 | H45 | 118.0° | 60.0° |
| O2 | C8 | C7 | H41 | 120.2° | 120.0° |
| O2 | C8 | C7 | H42 | 120.2° | 120.0° |
| O2 | C8 | C7 | C6 | 101.6° | 54.9° |
| O2 | C8 | C7 | O6 | 139.8° | 65.0° |
| O2 | C8 | C7 | H40 | 17.4° | 175.0° |
| O2 | C8 | H41 | H42 | 119.4° | 120.1° |
| C8 | C7 | C6 | O6 | 119.8° | 120.0° |
| C8 | C7 | C6 | H40 | 119.0° | 120.0° |
| C8 | C7 | O6 | H40 | 121.4° | 120.0° |
| C8 | C7 | C6 | O1 | 71.4° | 55.0° |
| C8 | C7 | O6 | C11 | 164.9° | 90.0° |
| C8 | C7 | C6 | H38 | 168.8° | 175.0° |
| C8 | C7 | C6 | H39 | 48.4° | 65.0° |
| C7 | C8 | H41 | H42 | 119.4° | 120.0° |
| C6 | C7 | O6 | H40 | 120.2° | 120.0° |
| C7 | C6 | O1 | H38 | 119.8° | 120.0° |
| C7 | C6 | O1 | H39 | 119.8° | 120.0° |
| C7 | C6 | O1 | C5 | 142.7° | 180.0° |
| C6 | C7 | O6 | C11 | 76.8° | 150.0° |
| C7 | C6 | H38 | H39 | 120.6° | 120.0° |
| C6 | C7 | C8 | H41 | 18.6° | 65.0° |
| C6 | C7 | C8 | H42 | 138.2° | 175.0° |
| O6 | C7 | C6 | O1 | 48.4° | 65.0° |
| C7 | O6 | C11 | O7 | 23.7° | 0.1° |
| C7 | O6 | C11 | C12 | 156.0° | 180.0° |
| O6 | C7 | C6 | H38 | 71.4° | 55.0° |
| O6 | C7 | C6 | H39 | 168.2° | 175.0° |
| O6 | C7 | C8 | H41 | 100.0° | 175.0° |
| O6 | C7 | C8 | H42 | 19.6° | 55.0° |
| C6 | O1 | C5 | O | 59.4° | 0.0° |
| C6 | O1 | C5 | C4 | 120.0° | 180.0° |
| O1 | C6 | H38 | H39 | 120.6° | 120.0° |
| O1 | C6 | C7 | H40 | 169.6° | 175.0° |
| O1 | C5 | O | C4 | 179.5° | 180.0° |
| O1 | C5 | C4 | C3 | 178.1° | 180.0° |
| O1 | C5 | C4 | H36 | 62.0° | 59.9° |
| O1 | C5 | C4 | H37 | 58.1° | 60.0° |
| C5 | O1 | C6 | H38 | 22.9° | 60.0° |
| C5 | O1 | C6 | H39 | 97.4° | 59.9° |
| O6 | C11 | O7 | C12 | 179.8° | 180.0° |
| O6 | C11 | C12 | C13 | 12.3° | 180.0° |
| O6 | C11 | C12 | H11 | 132.8° | 60.0° |
| O6 | C11 | C12 | H12 | 108.2° | 60.0° |
| C11 | O6 | C7 | H40 | 43.4° | 30.0° |
| O | C5 | C4 | C3 | 1.4° | 0.0° |
| O | C5 | C4 | H36 | 118.6° | 120.0° |
| O | C5 | C4 | H37 | 121.3° | 120.0° |
| C5 | C4 | C3 | H36 | 119.9° | 120.1° |
| C5 | C4 | C3 | H37 | 119.9° | 120.0° |
| C5 | C4 | C3 | C2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H34 | 60.0° | 59.9° |
| C5 | C4 | C3 | H35 | 60.0° | 60.0° |
| C5 | C4 | H36 | H37 | 120.2° | 120.0° |
| O7 | C11 | C12 | C13 | 167.9° | 0.0° |
| O7 | C11 | C12 | H11 | 47.4° | 120.0° |
| O7 | C11 | C12 | H12 | 71.6° | 120.0° |
| C11 | C12 | C13 | H11 | 120.5° | 120.0° |
| C11 | C12 | C13 | H12 | 120.5° | 120.0° |
| C11 | C12 | C13 | C14 | 166.6° | 180.0° |
| C11 | C12 | H11 | H12 | 118.6° | 120.0° |
| C11 | C12 | C13 | H13 | 73.2° | 60.0° |
| C11 | C12 | C13 | H14 | 46.5° | 60.0° |
| C12 | C13 | C14 | H13 | 120.1° | 120.0° |
| C12 | C13 | C14 | H14 | 120.1° | 120.0° |
| C12 | C13 | C14 | C15 | 171.5° | NaN° |
| C13 | C12 | H11 | H12 | 118.6° | 120.1° |
| C12 | C13 | H13 | H14 | 119.6° | 120.1° |
| C12 | C13 | C14 | H15 | 51.3° | 59.9° |
| C12 | C13 | C14 | H16 | 68.2° | 60.0° |
| C13 | C14 | C15 | C16 | 143.1° | 180.0° |
| C13 | C14 | C15 | H15 | 120.2° | 120.0° |
| C13 | C14 | C15 | H16 | 120.2° | 120.0° |
| C14 | C13 | C12 | H11 | 46.2° | 60.0° |
| C14 | C13 | C12 | H12 | 72.9° | 60.0° |
| C14 | C13 | H13 | H14 | 119.5° | 119.9° |
| C13 | C14 | H15 | H16 | 119.3° | 119.9° |
| C13 | C14 | C15 | H17 | 22.6° | 60.0° |
| C13 | C14 | C15 | H18 | 96.3° | 60.0° |
| C16 | C15 | C14 | H17 | 120.5° | 120.0° |
| C16 | C15 | C14 | H18 | 120.6° | 120.0° |
| C15 | C16 | C17 | H19 | 120.2° | 120.0° |
| C15 | C16 | C17 | H20 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 178.2° | 180.0° |
| C16 | C15 | C14 | H15 | 22.9° | 60.0° |
| C16 | C15 | C14 | H16 | 96.7° | 60.0° |
| C16 | C15 | H17 | H18 | 118.4° | 120.0° |
| C15 | C16 | H19 | H20 | 119.3° | 120.1° |
| C15 | C16 | C17 | H21 | 61.9° | 60.0° |
| C15 | C16 | C17 | H22 | 58.2° | 60.0° |
| C14 | C15 | C16 | C17 | 68.1° | 180.0° |
| C15 | C14 | C13 | H13 | 68.3° | 60.0° |
| C15 | C14 | C13 | H14 | 51.4° | 60.0° |
| C15 | C14 | H15 | H16 | 119.3° | 120.0° |
| C14 | C15 | H17 | H18 | 118.4° | 120.0° |
| C14 | C15 | C16 | H19 | 171.7° | 60.0° |
| C14 | C15 | C16 | H20 | 52.1° | 60.0° |
| C4 | C3 | C2 | H34 | 120.0° | 120.1° |
| C4 | C3 | C2 | H35 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 101.6° | 180.0° |
| C4 | C3 | C2 | H27 | 138.2° | 59.9° |
| C4 | C3 | C2 | H28 | 18.5° | 60.0° |
| C4 | C3 | H34 | H35 | 119.9° | 120.0° |
| C3 | C4 | H36 | H37 | 120.2° | 119.9° |
| C16 | C17 | C18 | H21 | 119.9° | 120.0° |
| C16 | C17 | C18 | H22 | 119.9° | 120.0° |
| C16 | C17 | C18 | C19 | 152.2° | 180.0° |
| C17 | C16 | C15 | H17 | 171.4° | 60.0° |
| C17 | C16 | C15 | H18 | 52.5° | 60.0° |
| C17 | C16 | H19 | H20 | 119.3° | 120.0° |
| C16 | C17 | H21 | H22 | 120.2° | 120.0° |
| C16 | C17 | C18 | H23 | 87.6° | 60.0° |
| C16 | C17 | C18 | H24 | 32.1° | 60.1° |
| C3 | C2 | C1 | H27 | 120.1° | 120.0° |
| C3 | C2 | C1 | H28 | 120.1° | 120.0° |
| C3 | C2 | C1 | C | 161.7° | 180.0° |
| C3 | C2 | C1 | H7 | 41.7° | 60.0° |
| C3 | C2 | C1 | H8 | 78.2° | 60.0° |
| C3 | C2 | H27 | H28 | 119.6° | 120.0° |
| C2 | C3 | H34 | H35 | 120.0° | 120.0° |
| C2 | C3 | C4 | H36 | 60.1° | 60.0° |
| C2 | C3 | C4 | H37 | 60.0° | 60.0° |
| C17 | C18 | C19 | H23 | 120.2° | 120.0° |
| C17 | C18 | C19 | H24 | 120.2° | 120.0° |
| C17 | C18 | C19 | C20 | 54.1° | 180.0° |
| C18 | C17 | C16 | H19 | 58.0° | 60.0° |
| C18 | C17 | C16 | H20 | 61.6° | 60.0° |
| C18 | C17 | H21 | H22 | 120.2° | 120.0° |
| C17 | C18 | H23 | H24 | 119.4° | 120.0° |
| C17 | C18 | C19 | H25 | 174.7° | 59.9° |
| C17 | C18 | C19 | H26 | 66.5° | 60.0° |
| C18 | C19 | C20 | H25 | 120.6° | 120.0° |
| C18 | C19 | C20 | H26 | 120.6° | 120.0° |
| C18 | C19 | C20 | C21 | 170.1° | 180.0° |
| C19 | C18 | C17 | H21 | 32.3° | 60.0° |
| C19 | C18 | C17 | H22 | 87.8° | 60.0° |
| C19 | C18 | H23 | H24 | 119.4° | 120.0° |
| C18 | C19 | H25 | H26 | 118.2° | 120.0° |
| C18 | C19 | C20 | H29 | 70.0° | 60.0° |
| C18 | C19 | C20 | H30 | 50.2° | 60.0° |
| C2 | C1 | C | H7 | 120.0° | 120.0° |
| C2 | C1 | C | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H4 | 180.0° | 60.0° |
| C2 | C1 | C | H5 | 60.0° | 60.0° |
| C2 | C1 | C | H6 | 60.0° | 180.0° |
| C2 | C1 | H7 | H8 | 119.9° | 120.1° |
| C1 | C2 | H27 | H28 | 119.6° | 120.0° |
| C1 | C2 | C3 | H34 | 18.4° | 60.0° |
| C1 | C2 | C3 | H35 | 138.4° | 60.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C | C1 | H7 | H8 | 120.0° | 119.9° |
| C | C1 | C2 | H27 | 78.1° | 60.0° |
| C | C1 | C2 | H28 | 41.6° | 60.0° |
| C19 | C20 | C21 | H29 | 119.9° | 120.0° |
| C19 | C20 | C21 | H30 | 119.9° | 120.0° |
| C20 | C19 | C18 | H23 | 66.1° | 60.0° |
| C20 | C19 | C18 | H24 | 174.3° | 60.0° |
| C20 | C19 | H25 | H26 | 118.2° | 120.0° |
| C19 | C20 | H29 | H30 | 120.3° | 120.0° |
| C19 | C20 | C21 | H31 | 180.0° | 180.0° |
| C19 | C20 | C21 | H32 | 60.0° | 60.0° |
| C19 | C20 | C21 | H33 | 60.0° | 60.0° |
| C21 | C20 | C19 | H25 | 49.5° | 60.0° |
| C21 | C20 | C19 | H26 | 69.3° | 60.0° |
| C21 | C20 | H29 | H30 | 120.3° | 120.0° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H33 | 120.0° | 120.0° |
| C20 | C21 | H32 | H33 | 120.0° | 120.0° |
| H1 | N | C10 | H9 | 60.0° | 59.9° |
| H1 | N | C10 | H10 | 60.0° | 60.1° |
| H2 | N | C10 | H9 | 60.0° | 64.0° |
| H2 | N | C10 | H10 | 179.9° | 176.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H4 | C | C1 | H7 | 60.0° | 60.1° |
| H4 | C | C1 | H8 | 60.0° | 180.0° |
| H5 | C | C1 | H7 | 180.0° | 179.9° |
| H5 | C | C1 | H8 | 60.0° | 60.0° |
| H6 | C | C1 | H7 | 60.0° | 59.9° |
| H6 | C | C1 | H8 | 180.0° | 60.0° |
| H7 | C1 | C2 | H27 | 161.9° | 180.0° |
| H7 | C1 | C2 | H28 | 78.4° | 60.0° |
| H8 | C1 | C2 | H27 | 41.9° | 60.0° |
| H8 | C1 | C2 | H28 | 161.6° | 179.9° |
| H9 | C10 | C9 | H43 | 146.6° | 64.9° |
| H9 | C10 | C9 | H44 | 26.4° | 175.0° |
| H10 | C10 | C9 | H43 | 93.3° | 55.1° |
| H10 | C10 | C9 | H44 | 146.5° | 65.0° |
| H11 | C12 | C13 | H13 | 166.3° | 180.0° |
| H11 | C12 | C13 | H14 | 73.9° | 60.0° |
| H12 | C12 | C13 | H13 | 47.2° | 60.0° |
| H12 | C12 | C13 | H14 | 167.0° | 180.0° |
| H13 | C13 | C14 | H15 | 171.4° | 180.0° |
| H13 | C13 | C14 | H16 | 51.9° | 60.1° |
| H14 | C13 | C14 | H15 | 68.8° | 60.1° |
| H14 | C13 | C14 | H16 | 171.6° | 180.0° |
| H15 | C14 | C15 | H17 | 97.6° | 180.0° |
| H15 | C14 | C15 | H18 | 143.4° | 60.0° |
| H16 | C14 | C15 | H17 | 142.8° | 60.0° |
| H16 | C14 | C15 | H18 | 23.9° | 180.0° |
| H17 | C15 | C16 | H19 | 51.2° | 180.0° |
| H17 | C15 | C16 | H20 | 68.4° | 60.0° |
| H18 | C15 | C16 | H19 | 67.7° | 60.0° |
| H18 | C15 | C16 | H20 | 172.7° | 180.0° |
| H19 | C16 | C17 | H21 | 177.9° | 180.0° |
| H19 | C16 | C17 | H22 | 62.0° | 60.0° |
| H20 | C16 | C17 | H21 | 58.3° | 60.0° |
| H20 | C16 | C17 | H22 | 178.4° | 180.0° |
| H21 | C17 | C18 | H23 | 152.5° | 180.0° |
| H21 | C17 | C18 | H24 | 87.9° | 59.9° |
| H22 | C17 | C18 | H23 | 32.3° | 60.0° |
| H22 | C17 | C18 | H24 | 152.0° | 180.0° |
| H23 | C18 | C19 | H25 | 54.5° | 180.0° |
| H23 | C18 | C19 | H26 | 173.3° | 60.0° |
| H24 | C18 | C19 | H25 | 65.1° | 60.0° |
| H24 | C18 | C19 | H26 | 53.7° | 180.0° |
| H25 | C19 | C20 | H29 | 169.4° | 180.0° |
| H25 | C19 | C20 | H30 | 70.4° | 60.0° |
| H26 | C19 | C20 | H29 | 50.6° | 60.0° |
| H26 | C19 | C20 | H30 | 170.8° | 180.0° |
| H27 | C2 | C3 | H34 | 101.8° | 180.0° |
| H27 | C2 | C3 | H35 | 18.2° | 60.1° |
| H28 | C2 | C3 | H34 | 138.5° | 60.1° |
| H28 | C2 | C3 | H35 | 101.5° | NaN° |
| H29 | C20 | C21 | H31 | 60.1° | 60.0° |
| H29 | C20 | C21 | H32 | 179.9° | 180.0° |
| H29 | C20 | C21 | H33 | 59.9° | 60.0° |
| H30 | C20 | C21 | H31 | 60.1° | 59.9° |
| H30 | C20 | C21 | H32 | 59.9° | 60.0° |
| H30 | C20 | C21 | H33 | 179.9° | 180.0° |
| H31 | C21 | H32 | H33 | 120.0° | 120.0° |
| H34 | C3 | C4 | H36 | 179.9° | NaN° |
| H34 | C3 | C4 | H37 | 60.0° | 60.1° |
| H35 | C3 | C4 | H36 | 59.9° | 60.1° |
| H35 | C3 | C4 | H37 | 179.9° | 180.0° |
| H38 | C6 | C7 | H40 | 49.8° | 65.0° |
| H39 | C6 | C7 | H40 | 70.6° | 55.0° |
| H40 | C7 | C8 | H41 | 137.6° | 55.0° |
| H40 | C7 | C8 | H42 | 102.8° | 65.0° |
