1R1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | C1H | sing | 1.82Å | 1.78Å | |
| P1 | O2 | doub | 1.48Å | 1.46Å | |
| C1H | C2H | sing | 1.53Å | 1.52Å | |
| C2H | C3H | sing | 1.53Å | 1.52Å | |
| N1 | C3H | sing | 1.47Å | 1.47Å | |
| N1 | N2 | doub | 1.12Å | 1.11Å | |
| N2 | N3 | doub | 1.12Å | 1.11Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1H | H35 | sing | 1.09Å | 1.10Å | |
| C1H | H36 | sing | 1.09Å | 1.10Å | |
| C2H | H37 | sing | 1.09Å | 1.10Å | |
| C2H | H38 | sing | 1.09Å | 1.10Å | |
| C3H | H39 | sing | 1.09Å | 1.10Å | |
| C3H | H40 | sing | 1.09Å | 1.10Å | |
| P1 | O3 | sing | 1.61Å | 51.34Å | |
| O3 | H34 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 109.6° | 109.5° |
| C10 | C11 | C12 | 109.0° | 109.5° |
| C10 | C11 | H12 | 109.6° | 109.5° |
| C10 | C11 | H13 | 109.6° | 109.5° |
| C11 | C10 | H14 | 109.4° | 109.5° |
| C11 | C10 | H15 | 109.4° | 109.5° |
| C10 | C9 | C8 | 109.7° | 109.4° |
| C9 | C10 | H14 | 109.4° | 109.5° |
| C9 | C10 | H15 | 109.4° | 109.5° |
| C10 | C9 | H16 | 109.4° | 109.5° |
| C10 | C9 | H17 | 109.4° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.5° |
| C11 | C12 | H10 | 109.4° | 109.5° |
| C11 | C12 | H11 | 109.3° | 109.5° |
| C12 | C11 | H12 | 109.6° | 109.5° |
| C12 | C11 | H13 | 109.6° | 109.5° |
| C12 | C13 | C14 | 109.2° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C13 | C12 | H10 | 109.3° | 109.5° |
| C13 | C12 | H11 | 109.3° | 109.5° |
| C8 | C7 | C6 | 109.6° | 109.5° |
| C7 | C8 | C9 | 109.9° | 109.4° |
| C7 | C8 | H18 | 109.4° | 109.5° |
| C7 | C8 | H19 | 109.4° | 109.4° |
| C8 | C7 | H20 | 109.4° | 109.5° |
| C8 | C7 | H21 | 109.4° | 109.5° |
| C7 | C6 | C5 | 110.2° | 109.5° |
| C6 | C7 | H20 | 109.4° | 109.5° |
| C6 | C7 | H21 | 109.4° | 109.5° |
| C7 | C6 | H22 | 109.3° | 109.5° |
| C7 | C6 | H23 | 109.3° | 109.5° |
| C8 | C9 | H16 | 109.4° | 109.5° |
| C8 | C9 | H17 | 109.4° | 109.5° |
| C9 | C8 | H18 | 109.4° | 109.5° |
| C9 | C8 | H19 | 109.4° | 109.5° |
| C14 | C15 | C16 | 108.9° | 109.4° |
| C15 | C14 | C13 | 109.6° | 109.5° |
| C14 | C15 | H4 | 109.6° | 109.5° |
| C14 | C15 | H5 | 109.6° | 109.5° |
| C15 | C14 | H6 | 109.4° | 109.5° |
| C15 | C14 | H7 | 109.4° | 109.5° |
| C15 | C16 | H1 | 109.5° | 109.4° |
| C15 | C16 | H2 | 109.5° | 109.5° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C16 | C15 | H4 | 109.6° | 109.5° |
| C16 | C15 | H5 | 109.6° | 109.5° |
| C6 | C5 | C4 | 109.6° | 109.5° |
| C5 | C6 | H22 | 109.3° | 109.4° |
| C5 | C6 | H23 | 109.3° | 109.4° |
| C6 | C5 | H24 | 109.4° | 109.4° |
| C6 | C5 | H25 | 109.4° | 109.4° |
| C5 | C4 | C3 | 110.2° | 109.5° |
| C4 | C5 | H24 | 109.5° | 109.5° |
| C4 | C5 | H25 | 109.4° | 109.5° |
| C5 | C4 | H26 | 109.3° | 109.5° |
| C5 | C4 | H27 | 109.3° | 109.5° |
| C13 | C14 | H6 | 109.4° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.4° |
| C14 | C13 | H8 | 109.5° | 109.4° |
| C14 | C13 | H9 | 109.5° | 109.4° |
| C4 | C3 | C2 | 109.7° | 109.4° |
| C3 | C4 | H26 | 109.3° | 109.5° |
| C3 | C4 | H27 | 109.3° | 109.5° |
| C4 | C3 | H28 | 109.4° | 109.5° |
| C4 | C3 | H29 | 109.4° | 109.5° |
| C3 | C2 | C1 | 110.3° | 109.4° |
| C2 | C3 | H28 | 109.4° | 109.5° |
| C2 | C3 | H29 | 109.4° | 109.5° |
| C3 | C2 | H30 | 109.3° | 109.5° |
| C3 | C2 | H31 | 109.3° | 109.5° |
| C2 | C1 | O1 | 110.5° | 109.5° |
| C1 | C2 | H30 | 109.2° | 109.5° |
| C1 | C2 | H31 | 109.3° | 109.5° |
| C2 | C1 | H32 | 109.2° | 109.5° |
| C2 | C1 | H33 | 109.2° | 109.5° |
| C1 | O1 | P1 | 111.0° | 123.0° |
| O1 | C1 | H32 | 109.2° | 109.5° |
| O1 | C1 | H33 | 109.2° | 109.4° |
| O1 | P1 | C1H | 111.8° | 109.5° |
| O1 | P1 | O2 | 109.2° | 109.5° |
| O1 | P1 | O3 | 35.9° | 109.5° |
| C1H | P1 | O2 | 108.9° | 109.5° |
| P1 | C1H | C2H | 109.8° | 109.5° |
| P1 | C1H | H35 | 109.4° | 109.5° |
| P1 | C1H | H36 | 109.4° | 109.4° |
| C1H | P1 | O3 | 121.7° | 109.5° |
| O2 | P1 | O3 | 125.7° | 109.4° |
| C1H | C2H | C3H | 109.4° | 109.4° |
| C2H | C1H | H35 | 109.4° | 109.5° |
| C2H | C1H | H36 | 109.4° | 109.5° |
| C1H | C2H | H37 | 109.5° | 109.5° |
| C1H | C2H | H38 | 109.5° | 109.4° |
| C2H | C3H | N1 | 109.6° | 109.4° |
| C3H | C2H | H37 | 109.5° | 109.6° |
| C3H | C2H | H38 | 109.5° | 109.5° |
| C2H | C3H | H39 | 109.4° | 109.5° |
| C2H | C3H | H40 | 109.4° | 109.5° |
| C3H | N1 | N2 | 115.6° | 120.0° |
| N1 | C3H | H39 | 109.4° | 109.5° |
| N1 | C3H | H40 | 109.5° | 109.5° |
| N1 | N2 | N3 | 171.8° | 180.0° |
| H1 | C16 | H2 | 109.4° | 109.5° |
| H1 | C16 | H3 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H20 | C7 | H21 | 109.5° | 109.5° |
| H22 | C6 | H23 | 109.5° | 109.5° |
| H24 | C5 | H25 | 109.4° | 109.5° |
| H26 | C4 | H27 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.5° | 109.5° |
| H30 | C2 | H31 | 109.5° | 109.5° |
| H32 | C1 | H33 | 109.5° | 109.5° |
| H35 | C1H | H36 | 109.5° | 109.5° |
| H37 | C2H | H38 | 109.5° | 109.5° |
| H39 | C3H | H40 | 109.5° | 109.5° |
| P1 | O3 | H34 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H14 | 120.0° | 120.0° |
| C11 | C10 | C9 | H15 | 120.0° | 120.0° |
| C10 | C11 | C12 | H12 | 119.9° | 120.0° |
| C10 | C11 | C12 | H13 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 169.7° | NaN° |
| C11 | C10 | C9 | C8 | 118.7° | 180.0° |
| C10 | C11 | C12 | H10 | 49.6° | 60.0° |
| C10 | C11 | C12 | H11 | 70.2° | 60.0° |
| C10 | C11 | H12 | H13 | 120.2° | 120.0° |
| C11 | C10 | H14 | H15 | 119.9° | 120.0° |
| C11 | C10 | C9 | H16 | 1.3° | 60.0° |
| C11 | C10 | C9 | H17 | 121.3° | 60.0° |
| C9 | C10 | C11 | C12 | 97.4° | 180.0° |
| C10 | C9 | C8 | C7 | 106.2° | 180.0° |
| C10 | C9 | C8 | H16 | 120.0° | 120.0° |
| C10 | C9 | C8 | H17 | 120.0° | 120.0° |
| C9 | C10 | C11 | H12 | 142.7° | 60.0° |
| C9 | C10 | C11 | H13 | 22.5° | 60.0° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C9 | H16 | H17 | 119.9° | 120.0° |
| C10 | C9 | C8 | H18 | 133.7° | 60.0° |
| C10 | C9 | C8 | H19 | 13.8° | 60.0° |
| C11 | C12 | C13 | H10 | 120.1° | 120.0° |
| C11 | C12 | C13 | H11 | 120.1° | 120.0° |
| C11 | C12 | C13 | C14 | 143.3° | 180.0° |
| C11 | C12 | C13 | H8 | 96.8° | 60.0° |
| C11 | C12 | C13 | H9 | 23.3° | 60.0° |
| C11 | C12 | H10 | H11 | 119.7° | 120.0° |
| C12 | C11 | H12 | H13 | 120.3° | 120.0° |
| C12 | C11 | C10 | H14 | 142.6° | 60.0° |
| C12 | C11 | C10 | H15 | 22.6° | 60.0° |
| C12 | C13 | C14 | C15 | 121.9° | 180.0° |
| C12 | C13 | C14 | H8 | 119.9° | 120.0° |
| C12 | C13 | C14 | H9 | 120.0° | 120.0° |
| C12 | C13 | C14 | H6 | 1.9° | 60.0° |
| C12 | C13 | C14 | H7 | 118.1° | 60.0° |
| C12 | C13 | H8 | H9 | 120.1° | 120.1° |
| C13 | C12 | H10 | H11 | 119.7° | 120.0° |
| C13 | C12 | C11 | H12 | 70.4° | 60.0° |
| C13 | C12 | C11 | H13 | 49.8° | 60.0° |
| C8 | C7 | C6 | H20 | 120.0° | 120.0° |
| C8 | C7 | C6 | H21 | 120.0° | 120.0° |
| C7 | C8 | C9 | H18 | 120.1° | 120.0° |
| C7 | C8 | C9 | H19 | 120.1° | 120.0° |
| C8 | C7 | C6 | C5 | 54.9° | 180.0° |
| C7 | C8 | C9 | H16 | 133.7° | 60.0° |
| C7 | C8 | C9 | H17 | 13.8° | 60.0° |
| C7 | C8 | H18 | H19 | 119.8° | 120.0° |
| C8 | C7 | H20 | H21 | 120.0° | 120.0° |
| C8 | C7 | C6 | H22 | 65.2° | 60.0° |
| C8 | C7 | C6 | H23 | 175.1° | 60.0° |
| C6 | C7 | C8 | C9 | 120.5° | 180.0° |
| C7 | C6 | C5 | H22 | 120.1° | 120.0° |
| C7 | C6 | C5 | H23 | 120.1° | 120.1° |
| C7 | C6 | C5 | C4 | 166.7° | 180.0° |
| C6 | C7 | C8 | H18 | 0.4° | 60.0° |
| C6 | C7 | C8 | H19 | 119.5° | 60.0° |
| C6 | C7 | H20 | H21 | 119.9° | 120.0° |
| C7 | C6 | H22 | H23 | 119.7° | 120.1° |
| C7 | C6 | C5 | H24 | 73.3° | 60.0° |
| C7 | C6 | C5 | H25 | 46.6° | 59.9° |
| C8 | C9 | C10 | H14 | 121.3° | 60.0° |
| C8 | C9 | C10 | H15 | 1.3° | 60.0° |
| C8 | C9 | H16 | H17 | 119.9° | 120.0° |
| C9 | C8 | H18 | H19 | 119.8° | 120.0° |
| C9 | C8 | C7 | H20 | 0.5° | 60.0° |
| C9 | C8 | C7 | H21 | 119.5° | 60.0° |
| C14 | C15 | C16 | H4 | 119.9° | 120.0° |
| C14 | C15 | C16 | H5 | 119.9° | 120.0° |
| C15 | C14 | C13 | H6 | 120.0° | 120.0° |
| C15 | C14 | C13 | H7 | 120.0° | 120.0° |
| C14 | C15 | C16 | H1 | 180.0° | 60.0° |
| C14 | C15 | C16 | H2 | 60.0° | 60.0° |
| C14 | C15 | C16 | H3 | 60.0° | 180.0° |
| C14 | C15 | H4 | H5 | 120.2° | 120.0° |
| C15 | C14 | H6 | H7 | 119.9° | 120.1° |
| C15 | C14 | C13 | H8 | 2.0° | 60.0° |
| C15 | C14 | C13 | H9 | 118.1° | 60.0° |
| C16 | C15 | C14 | C13 | 128.1° | 180.0° |
| C15 | C16 | H1 | H2 | 120.0° | 120.0° |
| C15 | C16 | H1 | H3 | 120.0° | 120.0° |
| C15 | C16 | H2 | H3 | 120.0° | 120.0° |
| C16 | C15 | H4 | H5 | 120.3° | 120.0° |
| C16 | C15 | C14 | H6 | 111.9° | 60.0° |
| C16 | C15 | C14 | H7 | 8.1° | 60.0° |
| C6 | C5 | C4 | H24 | 120.0° | 120.0° |
| C6 | C5 | C4 | H25 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 71.6° | 180.0° |
| C5 | C6 | C7 | H20 | 174.9° | 60.0° |
| C5 | C6 | C7 | H21 | 65.1° | 60.0° |
| C5 | C6 | H22 | H23 | 119.7° | 119.9° |
| C6 | C5 | H24 | H25 | 119.9° | 119.9° |
| C6 | C5 | C4 | H26 | 168.3° | 60.0° |
| C6 | C5 | C4 | H27 | 48.5° | 60.0° |
| C5 | C4 | C3 | H26 | 120.1° | 120.0° |
| C5 | C4 | C3 | H27 | 120.1° | 120.0° |
| C5 | C4 | C3 | C2 | 168.8° | 180.0° |
| C4 | C5 | C6 | H22 | 46.5° | 60.0° |
| C4 | C5 | C6 | H23 | 73.2° | 59.9° |
| C4 | C5 | H24 | H25 | 119.9° | 120.1° |
| C5 | C4 | H26 | H27 | 119.7° | 120.0° |
| C5 | C4 | C3 | H28 | 48.8° | 60.0° |
| C5 | C4 | C3 | H29 | 71.1° | 60.0° |
| C13 | C14 | C15 | H4 | 112.0° | 60.0° |
| C13 | C14 | C15 | H5 | 8.2° | 60.0° |
| C13 | C14 | H6 | H7 | 120.0° | 119.9° |
| C14 | C13 | H8 | H9 | 120.1° | 119.9° |
| C14 | C13 | C12 | H10 | 23.1° | 60.0° |
| C14 | C13 | C12 | H11 | 96.6° | 60.0° |
| C4 | C3 | C2 | H28 | 120.0° | 120.0° |
| C4 | C3 | C2 | H29 | 120.1° | 120.0° |
| C4 | C3 | C2 | C1 | 150.5° | 180.0° |
| C3 | C4 | C5 | H24 | 48.4° | 60.0° |
| C3 | C4 | C5 | H25 | 168.4° | 60.0° |
| C3 | C4 | H26 | H27 | 119.7° | 120.0° |
| C4 | C3 | H28 | H29 | 119.9° | 120.0° |
| C4 | C3 | C2 | H30 | 30.4° | 60.0° |
| C4 | C3 | C2 | H31 | 89.3° | 60.0° |
| C3 | C2 | C1 | H30 | 120.1° | 120.0° |
| C3 | C2 | C1 | H31 | 120.1° | 120.0° |
| C3 | C2 | C1 | O1 | 123.9° | 180.0° |
| C2 | C3 | C4 | H26 | 71.1° | 60.0° |
| C2 | C3 | C4 | H27 | 48.7° | 60.0° |
| C2 | C3 | H28 | H29 | 119.9° | 120.0° |
| C3 | C2 | H30 | H31 | 119.6° | 120.0° |
| C3 | C2 | C1 | H32 | 115.9° | 60.0° |
| C3 | C2 | C1 | H33 | 3.8° | 60.0° |
| C2 | C1 | O1 | H32 | 120.2° | 120.0° |
| C2 | C1 | O1 | H33 | 120.1° | 120.0° |
| C2 | C1 | O1 | P1 | 116.8° | 180.0° |
| C1 | C2 | C3 | H28 | 89.4° | 60.0° |
| C1 | C2 | C3 | H29 | 30.5° | 60.0° |
| C1 | C2 | H30 | H31 | 119.6° | 120.0° |
| C2 | C1 | H32 | H33 | 119.5° | 120.0° |
| C1 | O1 | P1 | C1H | 16.8° | 175.0° |
| C1 | O1 | P1 | O2 | 137.3° | 55.0° |
| O1 | C1 | C2 | H30 | 3.8° | 60.0° |
| O1 | C1 | C2 | H31 | 115.9° | 60.0° |
| O1 | C1 | H32 | H33 | 119.5° | 120.0° |
| C1 | O1 | P1 | O3 | 97.7° | 65.0° |
| O1 | P1 | C1H | O2 | 120.7° | 120.0° |
| O1 | P1 | C1H | O3 | 38.9° | 120.0° |
| O1 | P1 | O2 | O3 | 36.2° | 120.0° |
| O1 | P1 | C1H | C2H | 54.3° | 175.0° |
| P1 | O1 | C1 | H32 | 3.4° | 60.0° |
| P1 | O1 | C1 | H33 | 123.1° | 60.0° |
| O1 | P1 | C1H | H35 | 65.7° | 55.0° |
| O1 | P1 | C1H | H36 | 174.4° | 65.0° |
| O1 | P1 | O3 | H34 | 90.0° | 60.1° |
| C1H | P1 | O2 | O3 | 158.5° | 120.0° |
| P1 | C1H | C2H | H35 | 120.1° | 120.0° |
| P1 | C1H | C2H | H36 | 120.1° | 120.0° |
| P1 | C1H | C2H | C3H | 146.8° | 180.0° |
| P1 | C1H | H35 | H36 | 119.9° | 119.9° |
| P1 | C1H | C2H | H37 | 26.8° | 59.9° |
| P1 | C1H | C2H | H38 | 93.2° | 60.0° |
| C1H | P1 | O3 | H34 | 90.0° | 60.0° |
| O2 | P1 | C1H | C2H | 66.3° | 55.0° |
| O2 | P1 | C1H | H35 | 173.6° | 65.1° |
| O2 | P1 | C1H | H36 | 53.7° | 175.0° |
| O2 | P1 | O3 | H34 | 90.0° | 180.0° |
| C1H | C2H | C3H | H37 | 120.0° | 120.0° |
| C1H | C2H | C3H | H38 | 120.0° | 119.9° |
| C1H | C2H | C3H | N1 | 93.3° | 180.0° |
| C2H | C1H | H35 | H36 | 119.8° | 120.0° |
| C1H | C2H | H37 | H38 | 120.1° | 119.9° |
| C1H | C2H | C3H | H39 | 26.8° | 60.0° |
| C1H | C2H | C3H | H40 | 146.7° | 60.1° |
| C2H | C1H | P1 | O3 | 93.2° | 65.0° |
| C2H | C3H | N1 | H39 | 120.0° | 120.0° |
| C2H | C3H | N1 | H40 | 120.0° | 120.0° |
| C2H | C3H | N1 | N2 | 146.7° | 120.1° |
| C3H | C2H | C1H | H35 | 93.2° | 60.0° |
| C3H | C2H | C1H | H36 | 26.7° | 60.1° |
| C3H | C2H | H37 | H38 | 120.0° | 120.1° |
| C2H | C3H | H39 | H40 | 119.9° | 120.0° |
| C3H | N1 | N2 | N3 | 174.1° | 147.8° |
| N1 | C3H | C2H | H37 | 146.7° | 60.0° |
| N1 | C3H | C2H | H38 | 26.8° | 60.0° |
| N1 | C3H | H39 | H40 | 120.0° | 120.0° |
| N2 | N1 | C3H | H39 | 93.3° | 0.0° |
| N2 | N1 | C3H | H40 | 26.7° | 120.0° |
| H1 | C16 | H2 | H3 | 120.0° | 120.0° |
| H1 | C16 | C15 | H4 | 60.1° | 60.0° |
| H1 | C16 | C15 | H5 | 60.1° | 180.0° |
| H2 | C16 | C15 | H4 | 179.9° | 180.0° |
| H2 | C16 | C15 | H5 | 59.9° | 60.0° |
| H3 | C16 | C15 | H4 | 59.9° | 60.0° |
| H3 | C16 | C15 | H5 | 179.9° | 60.0° |
| H4 | C15 | C14 | H6 | 8.0° | 180.0° |
| H4 | C15 | C14 | H7 | 128.0° | 60.0° |
| H5 | C15 | C14 | H6 | 128.2° | 60.0° |
| H5 | C15 | C14 | H7 | 111.8° | 180.0° |
| H6 | C14 | C13 | H8 | 118.0° | 180.0° |
| H6 | C14 | C13 | H9 | 121.9° | 60.0° |
| H7 | C14 | C13 | H8 | 122.0° | 60.1° |
| H7 | C14 | C13 | H9 | 1.9° | 180.0° |
| H8 | C13 | C12 | H10 | 143.1° | 180.0° |
| H8 | C13 | C12 | H11 | 23.3° | 60.0° |
| H9 | C13 | C12 | H10 | 96.8° | 60.0° |
| H9 | C13 | C12 | H11 | 143.4° | 180.0° |
| H10 | C12 | C11 | H12 | 169.5° | 180.0° |
| H10 | C12 | C11 | H13 | 70.3° | 60.0° |
| H11 | C12 | C11 | H12 | 49.7° | 60.0° |
| H11 | C12 | C11 | H13 | 169.9° | NaN° |
| H12 | C11 | C10 | H14 | 22.7° | NaN° |
| H12 | C11 | C10 | H15 | 97.3° | 60.0° |
| H13 | C11 | C10 | H14 | 97.5° | 60.0° |
| H13 | C11 | C10 | H15 | 142.5° | 180.0° |
| H14 | C10 | C9 | H16 | 118.7° | 180.0° |
| H14 | C10 | C9 | H17 | 1.3° | 60.0° |
| H15 | C10 | C9 | H16 | 121.3° | 60.0° |
| H15 | C10 | C9 | H17 | 118.7° | 180.0° |
| H16 | C9 | C8 | H18 | 13.6° | 180.0° |
| H16 | C9 | C8 | H19 | 106.2° | 60.0° |
| H17 | C9 | C8 | H18 | 106.3° | 60.0° |
| H17 | C9 | C8 | H19 | 133.8° | 180.0° |
| H18 | C8 | C7 | H20 | 119.6° | 180.0° |
| H18 | C8 | C7 | H21 | 120.4° | 60.0° |
| H19 | C8 | C7 | H20 | 120.5° | 60.0° |
| H19 | C8 | C7 | H21 | 0.5° | 180.0° |
| H20 | C7 | C6 | H22 | 54.8° | 180.0° |
| H20 | C7 | C6 | H23 | 64.9° | 60.0° |
| H21 | C7 | C6 | H22 | 174.8° | 60.0° |
| H21 | C7 | C6 | H23 | 55.1° | 180.0° |
| H22 | C6 | C5 | H24 | 166.6° | 180.0° |
| H22 | C6 | C5 | H25 | 73.5° | 60.1° |
| H23 | C6 | C5 | H24 | 46.8° | 60.1° |
| H23 | C6 | C5 | H25 | 166.7° | 180.0° |
| H24 | C5 | C4 | H26 | 71.7° | 180.0° |
| H24 | C5 | C4 | H27 | 168.5° | 60.0° |
| H25 | C5 | C4 | H26 | 48.3° | 60.0° |
| H25 | C5 | C4 | H27 | 71.5° | 180.0° |
| H26 | C4 | C3 | H28 | 168.9° | 180.0° |
| H26 | C4 | C3 | H29 | 48.9° | 60.0° |
| H27 | C4 | C3 | H28 | 71.3° | 60.0° |
| H27 | C4 | C3 | H29 | 168.7° | 180.0° |
| H28 | C3 | C2 | H30 | 150.4° | 180.0° |
| H28 | C3 | C2 | H31 | 30.7° | 60.0° |
| H29 | C3 | C2 | H30 | 89.7° | 60.0° |
| H29 | C3 | C2 | H31 | 150.6° | 180.0° |
| H30 | C2 | C1 | H32 | 124.0° | 180.0° |
| H30 | C2 | C1 | H33 | 116.4° | 60.0° |
| H31 | C2 | C1 | H32 | 4.2° | 60.0° |
| H31 | C2 | C1 | H33 | 123.9° | 180.0° |
| H35 | C1H | C2H | H37 | 146.9° | 180.0° |
| H35 | C1H | C2H | H38 | 26.8° | 60.0° |
| H35 | C1H | P1 | O3 | 26.9° | 175.0° |
| H36 | C1H | C2H | H37 | 93.2° | 60.0° |
| H36 | C1H | C2H | H38 | 146.7° | 180.0° |
| H36 | C1H | P1 | O3 | 146.7° | 55.0° |
| H37 | C2H | C3H | H39 | 93.2° | 180.0° |
| H37 | C2H | C3H | H40 | 26.7° | 60.0° |
| H38 | C2H | C3H | H39 | 146.8° | 60.0° |
| H38 | C2H | C3H | H40 | 93.3° | 180.0° |
