68X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | doub | 1.31Å | 1.32Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | doub | 1.33Å | 1.32Å | |
| C01 | C7 | sing | 1.47Å | 1.55Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| O7 | C7 | doub | 1.22Å | 1.15Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C7 | N2 | sing | 1.35Å | 1.47Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| N2 | C2 | sing | 1.46Å | 1.45Å | |
| O03 | C3 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O01 | C1 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | H5 | sing | 0.97Å | 0.95Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C01 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| O03 | H15 | sing | 0.97Å | 0.95Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.08Å | 1.08Å | |
| C09 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å | |
| C15 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 112.5° | 109.5° |
| C10 | C11 | C12 | 112.7° | 109.5° |
| C11 | C10 | H27 | 108.7° | 109.5° |
| C11 | C10 | H28 | 108.7° | 109.4° |
| C10 | C11 | H29 | 108.7° | 109.5° |
| C10 | C11 | H30 | 108.7° | 109.4° |
| C10 | C09 | C08 | 122.7° | 120.0° |
| C10 | C09 | H26 | 118.6° | 120.0° |
| C09 | C10 | H27 | 108.7° | 109.5° |
| C09 | C10 | H28 | 108.7° | 109.5° |
| C11 | C12 | C13 | 109.3° | 109.5° |
| C12 | C11 | H29 | 108.7° | 109.5° |
| C12 | C11 | H30 | 108.7° | 109.5° |
| C11 | C12 | H31 | 109.5° | 109.5° |
| C11 | C12 | H32 | 109.5° | 109.5° |
| C12 | C13 | C14 | 112.8° | 109.5° |
| C13 | C12 | H31 | 109.5° | 109.5° |
| C13 | C12 | H32 | 109.5° | 109.4° |
| C12 | C13 | H33 | 108.6° | 109.5° |
| C12 | C13 | H34 | 108.6° | 109.4° |
| C09 | C08 | C07 | 119.5° | 120.0° |
| C09 | C08 | H25 | 120.2° | 120.0° |
| C08 | C09 | H26 | 118.6° | 120.0° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C14 | C13 | H33 | 108.7° | 109.5° |
| C14 | C13 | H34 | 108.6° | 109.4° |
| C13 | C14 | H35 | 109.2° | 109.5° |
| C13 | C14 | H36 | 109.2° | 109.4° |
| C08 | C07 | C06 | 107.3° | 109.5° |
| C08 | C07 | H23 | 110.0° | 109.4° |
| C08 | C07 | H24 | 110.0° | 109.4° |
| C07 | C08 | H25 | 120.3° | 120.0° |
| C02 | C01 | C7 | 133.4° | 120.0° |
| C01 | C02 | C03 | 125.9° | 120.0° |
| C02 | C01 | H8 | 113.3° | 120.0° |
| C01 | C02 | H11 | 117.1° | 120.0° |
| C01 | C7 | O7 | 110.8° | 120.0° |
| C01 | C7 | N2 | 136.6° | 120.0° |
| C7 | C01 | H8 | 113.3° | 120.0° |
| C02 | C03 | C04 | 109.4° | 109.5° |
| C03 | C02 | H11 | 117.1° | 120.0° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.5° |
| O7 | C7 | N2 | 112.5° | 120.0° |
| C15 | C14 | H35 | 109.2° | 109.5° |
| C15 | C14 | H36 | 109.2° | 109.4° |
| C14 | C15 | H37 | 109.5° | 109.5° |
| C14 | C15 | H38 | 109.5° | 109.4° |
| C14 | C15 | H39 | 109.5° | 109.4° |
| C07 | C06 | C05 | 119.2° | 109.5° |
| C07 | C06 | H21 | 107.0° | 109.5° |
| C07 | C06 | H22 | 107.0° | 109.5° |
| C06 | C07 | H23 | 110.0° | 109.5° |
| C06 | C07 | H24 | 110.0° | 109.5° |
| C06 | C05 | C04 | 103.6° | 109.5° |
| C06 | C05 | H19 | 110.9° | 109.5° |
| C06 | C05 | H20 | 110.9° | 109.4° |
| C05 | C06 | H21 | 107.0° | 109.5° |
| C05 | C06 | H22 | 107.0° | 109.4° |
| C7 | N2 | C2 | 131.4° | 120.0° |
| C7 | N2 | H7 | 114.3° | 120.0° |
| C03 | C04 | C05 | 110.4° | 109.5° |
| C04 | C03 | H12 | 109.5° | 109.4° |
| C04 | C03 | H13 | 109.5° | 109.5° |
| C03 | C04 | H16 | 109.3° | 109.4° |
| C03 | C04 | H17 | 109.2° | 109.4° |
| C05 | C04 | H16 | 109.2° | 109.5° |
| C05 | C04 | H17 | 109.2° | 109.5° |
| C04 | C05 | H19 | 110.9° | 109.5° |
| C04 | C05 | H20 | 110.9° | 109.4° |
| N2 | C2 | C3 | 110.1° | 109.5° |
| N2 | C2 | C1 | 112.9° | 109.6° |
| N2 | C2 | H6 | 107.3° | 109.6° |
| C2 | N2 | H7 | 114.3° | 120.0° |
| O03 | C3 | C2 | 107.2° | 109.5° |
| O03 | C3 | C4 | 107.6° | 109.6° |
| O03 | C3 | H14 | 109.9° | 109.6° |
| C3 | O03 | H15 | 109.5° | 113.9° |
| C3 | C2 | C1 | 113.4° | 109.2° |
| C2 | C3 | C4 | 115.8° | 109.0° |
| C3 | C2 | H6 | 106.3° | 109.5° |
| C2 | C3 | H14 | 108.1° | 109.6° |
| C2 | C1 | O01 | 107.7° | 109.5° |
| C2 | C1 | O5 | 113.9° | 109.4° |
| C1 | C2 | H6 | 106.3° | 109.5° |
| C2 | C1 | H9 | 107.8° | 109.5° |
| O01 | C1 | O5 | 108.4° | 109.5° |
| O01 | C1 | H9 | 109.4° | 109.5° |
| C1 | O01 | H10 | 109.5° | 114.0° |
| C3 | C4 | O4 | 107.3° | 109.5° |
| C3 | C4 | C5 | 116.8° | 109.2° |
| C3 | C4 | H1 | 107.1° | 109.6° |
| C4 | C3 | H14 | 108.1° | 109.6° |
| C1 | O5 | C5 | 119.9° | 114.1° |
| O5 | C1 | H9 | 109.5° | 109.5° |
| O4 | C4 | C5 | 109.7° | 109.5° |
| O4 | C4 | H1 | 108.6° | 109.5° |
| C4 | O4 | H18 | 109.5° | 114.0° |
| C4 | C5 | O5 | 116.1° | 109.4° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | H1 | 107.0° | 109.5° |
| C4 | C5 | H2 | 104.9° | 109.4° |
| O5 | C5 | C6 | 111.7° | 109.5° |
| O5 | C5 | H2 | 106.3° | 109.4° |
| C5 | C6 | O6 | 108.1° | 109.5° |
| C6 | C5 | H2 | 104.9° | 109.5° |
| C5 | C6 | H3 | 109.8° | 109.5° |
| C5 | C6 | H4 | 109.8° | 109.5° |
| O6 | C6 | H3 | 109.8° | 109.5° |
| O6 | C6 | H4 | 109.8° | 109.5° |
| C6 | O6 | H5 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H12 | C03 | H13 | 109.5° | 109.4° |
| H16 | C04 | H17 | 109.5° | 109.4° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H21 | C06 | H22 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.5° | 109.4° |
| H27 | C10 | H28 | 109.5° | 109.5° |
| H29 | C11 | H30 | 109.5° | 109.5° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H33 | C13 | H34 | 109.5° | 109.5° |
| H35 | C14 | H36 | 109.5° | 109.5° |
| H37 | C15 | H38 | 109.5° | 109.5° |
| H37 | C15 | H39 | 109.5° | 109.4° |
| H38 | C15 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H27 | 120.5° | 120.0° |
| C11 | C10 | C09 | H28 | 120.4° | 120.0° |
| C10 | C11 | C12 | H29 | 120.5° | 120.0° |
| C10 | C11 | C12 | H30 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 115.8° | 180.0° |
| C11 | C10 | C09 | C08 | 3.1° | 125.0° |
| C11 | C10 | C09 | H26 | 176.9° | 55.0° |
| C11 | C10 | H27 | H28 | 118.6° | 120.0° |
| C10 | C11 | H29 | H30 | 118.5° | 120.0° |
| C10 | C11 | C12 | H31 | 4.1° | 60.0° |
| C10 | C11 | C12 | H32 | 124.2° | 60.0° |
| C09 | C10 | C11 | C12 | 94.0° | 180.0° |
| C10 | C09 | C08 | H26 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 179.6° | 180.0° |
| C10 | C09 | C08 | H25 | 0.4° | 0.1° |
| C09 | C10 | H27 | H28 | 118.6° | 120.0° |
| C09 | C10 | C11 | H29 | 145.5° | 60.0° |
| C09 | C10 | C11 | H30 | 26.5° | 60.0° |
| C11 | C12 | C13 | H31 | 120.0° | 120.0° |
| C11 | C12 | C13 | H32 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 104.1° | 180.0° |
| C12 | C11 | C10 | H27 | 145.5° | 60.0° |
| C12 | C11 | C10 | H28 | 26.5° | 60.0° |
| C12 | C11 | H29 | H30 | 118.6° | 120.0° |
| C11 | C12 | H31 | H32 | 120.1° | 120.0° |
| C11 | C12 | C13 | H33 | 135.4° | 60.0° |
| C11 | C12 | C13 | H34 | 16.4° | 60.0° |
| C12 | C13 | C14 | H33 | 120.5° | 120.0° |
| C12 | C13 | C14 | H34 | 120.5° | 120.0° |
| C12 | C13 | C14 | C15 | 111.2° | 180.0° |
| C13 | C12 | C11 | H29 | 123.7° | 60.0° |
| C13 | C12 | C11 | H30 | 4.6° | 60.0° |
| C13 | C12 | H31 | H32 | 120.1° | 120.0° |
| C12 | C13 | H33 | H34 | 118.5° | 120.0° |
| C12 | C13 | C14 | H35 | 128.6° | 59.9° |
| C12 | C13 | C14 | H36 | 9.0° | 60.1° |
| C09 | C08 | C07 | H25 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 97.8° | 125.0° |
| C09 | C08 | C07 | H23 | 21.8° | 5.0° |
| C09 | C08 | C07 | H24 | 142.5° | 114.9° |
| C08 | C09 | C10 | H27 | 117.3° | 115.0° |
| C08 | C09 | C10 | H28 | 123.6° | 5.0° |
| C13 | C14 | C15 | H35 | 120.2° | 120.0° |
| C13 | C14 | C15 | H36 | 120.2° | 119.9° |
| C14 | C13 | C12 | H31 | 15.9° | 59.9° |
| C14 | C13 | C12 | H32 | 136.0° | 60.0° |
| C14 | C13 | H33 | H34 | 118.5° | 120.0° |
| C13 | C14 | H35 | H36 | 119.5° | 120.0° |
| C13 | C14 | C15 | H37 | 180.0° | 60.0° |
| C13 | C14 | C15 | H38 | 60.0° | 60.1° |
| C13 | C14 | C15 | H39 | 60.0° | 180.0° |
| C08 | C07 | C06 | H23 | 119.7° | 120.0° |
| C08 | C07 | C06 | H24 | 119.7° | 120.0° |
| C08 | C07 | C06 | C05 | 125.8° | 180.0° |
| C08 | C07 | C06 | H21 | 4.5° | 60.0° |
| C08 | C07 | C06 | H22 | 112.8° | 60.0° |
| C08 | C07 | H23 | H24 | 121.0° | 119.9° |
| C07 | C08 | C09 | H26 | 0.4° | 0.0° |
| C02 | C01 | C7 | H8 | 180.0° | 180.0° |
| C01 | C02 | C03 | H11 | 180.0° | 180.0° |
| C02 | C01 | C7 | O7 | 159.6° | 6.9° |
| C02 | C01 | C7 | N2 | 18.8° | 173.1° |
| C01 | C02 | C03 | C04 | 117.3° | 130.0° |
| C01 | C02 | C03 | H12 | 2.6° | 110.0° |
| C01 | C02 | C03 | H13 | 122.7° | 10.0° |
| C7 | C01 | C02 | C03 | 3.8° | 13.6° |
| C01 | C7 | O7 | N2 | 178.8° | 180.0° |
| C01 | C7 | N2 | C2 | 2.0° | 180.0° |
| C01 | C7 | N2 | H7 | 178.0° | 0.0° |
| C7 | C01 | C02 | H11 | 176.2° | 166.4° |
| C02 | C03 | C04 | H12 | 120.0° | 120.0° |
| C02 | C03 | C04 | H13 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 89.8° | 180.0° |
| C03 | C02 | C01 | H8 | 176.2° | 166.3° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | C04 | H16 | 150.1° | 60.0° |
| C02 | C03 | C04 | H17 | 30.4° | 59.9° |
| O7 | C7 | N2 | C2 | 179.6° | 0.0° |
| O7 | C7 | N2 | H7 | 0.4° | 180.0° |
| O7 | C7 | C01 | H8 | 20.4° | 173.1° |
| C15 | C14 | C13 | H33 | 9.3° | 60.0° |
| C15 | C14 | C13 | H34 | 128.3° | 60.1° |
| C15 | C14 | H35 | H36 | 119.5° | 120.0° |
| C14 | C15 | H37 | H38 | 120.0° | 120.0° |
| C14 | C15 | H37 | H39 | 120.0° | 120.0° |
| C14 | C15 | H38 | H39 | 120.0° | 120.0° |
| C07 | C06 | C05 | H21 | 121.4° | 120.0° |
| C07 | C06 | C05 | H22 | 121.4° | 120.0° |
| C07 | C06 | C05 | C04 | 148.1° | 180.0° |
| C07 | C06 | C05 | H19 | 92.9° | 60.0° |
| C07 | C06 | C05 | H20 | 29.0° | 60.0° |
| C07 | C06 | H21 | H22 | 115.6° | 120.0° |
| C06 | C07 | H23 | H24 | 121.0° | 120.1° |
| C06 | C07 | C08 | H25 | 82.2° | 55.0° |
| C06 | C05 | C04 | C03 | 95.8° | 180.0° |
| C06 | C05 | C04 | H19 | 119.0° | 120.1° |
| C06 | C05 | C04 | H20 | 119.1° | 119.9° |
| C06 | C05 | C04 | H16 | 144.0° | 60.0° |
| C06 | C05 | C04 | H17 | 24.3° | 60.0° |
| C06 | C05 | H19 | H20 | 122.7° | 120.0° |
| C05 | C06 | H21 | H22 | 115.6° | 120.0° |
| C05 | C06 | C07 | H23 | 114.5° | 60.0° |
| C05 | C06 | C07 | H24 | 6.2° | 60.0° |
| C7 | N2 | C2 | H7 | 180.0° | 180.0° |
| C7 | N2 | C2 | C3 | 119.2° | 155.0° |
| C7 | N2 | C2 | C1 | 112.9° | 85.3° |
| C7 | N2 | C2 | H6 | 3.9° | 34.9° |
| N2 | C7 | C01 | H8 | 161.2° | 6.9° |
| C03 | C04 | C05 | H16 | 120.1° | 120.0° |
| C03 | C04 | C05 | H17 | 120.1° | 120.0° |
| C04 | C03 | C02 | H11 | 62.7° | 49.9° |
| C04 | C03 | H12 | H13 | 120.0° | 119.9° |
| C03 | C04 | H16 | H17 | 119.6° | 119.9° |
| C03 | C04 | C05 | H19 | 145.1° | 60.0° |
| C03 | C04 | C05 | H20 | 23.2° | 60.0° |
| C05 | C04 | C03 | H12 | 30.2° | 59.9° |
| C05 | C04 | C03 | H13 | 150.3° | 60.0° |
| C05 | C04 | H16 | H17 | 119.6° | 120.0° |
| C04 | C05 | H19 | H20 | 122.7° | 120.0° |
| C04 | C05 | C06 | H21 | 26.7° | 60.0° |
| C04 | C05 | C06 | H22 | 90.5° | 60.0° |
| N2 | C2 | C3 | O03 | 27.2° | 57.1° |
| N2 | C2 | C3 | C1 | 127.6° | 120.0° |
| N2 | C2 | C3 | H6 | 115.9° | 120.2° |
| N2 | C2 | C1 | H6 | 117.4° | 120.2° |
| N2 | C2 | C1 | O01 | 40.9° | 57.5° |
| N2 | C2 | C3 | C4 | 92.8° | 176.9° |
| N2 | C2 | C1 | O5 | 79.4° | 177.5° |
| N2 | C2 | C1 | H9 | 158.8° | 62.5° |
| N2 | C2 | C3 | H14 | 145.7° | 63.2° |
| O03 | C3 | C2 | C4 | 120.0° | 119.8° |
| O03 | C3 | C2 | H14 | 118.4° | 120.3° |
| O03 | C3 | C2 | C1 | 154.9° | 62.9° |
| O03 | C3 | C4 | H14 | 118.7° | 120.3° |
| O03 | C3 | C4 | O4 | 92.0° | 177.3° |
| O03 | C3 | C4 | C5 | 144.4° | 62.8° |
| O03 | C3 | C4 | H1 | 24.5° | 57.1° |
| O03 | C3 | C2 | H6 | 88.7° | 177.2° |
| C3 | C2 | C1 | H6 | 116.5° | 119.9° |
| C3 | C2 | C1 | O01 | 167.0° | 62.4° |
| C2 | C3 | C4 | H14 | 121.5° | 119.9° |
| C3 | C2 | C1 | O5 | 46.8° | 57.6° |
| C2 | C3 | C4 | O4 | 148.2° | 63.0° |
| C2 | C3 | C4 | C5 | 24.6° | 57.0° |
| C2 | C3 | C4 | H1 | 95.3° | 176.9° |
| C3 | C2 | N2 | H7 | 60.8° | 25.1° |
| C3 | C2 | C1 | H9 | 75.1° | 177.6° |
| C2 | C3 | O03 | H15 | 180.0° | 180.0° |
| C2 | C1 | O01 | O5 | 123.7° | 120.0° |
| C2 | C1 | O01 | H9 | 116.9° | 120.0° |
| C1 | C2 | C3 | C4 | 34.8° | 56.9° |
| C2 | C1 | O5 | H9 | 120.8° | 120.0° |
| C2 | C1 | O5 | C5 | 50.5° | 61.1° |
| C1 | C2 | N2 | H7 | 67.1° | 94.7° |
| C2 | C1 | O01 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | H14 | 86.7° | 176.8° |
| O01 | C1 | O5 | H9 | 119.3° | 120.0° |
| O01 | C1 | O5 | C5 | 170.3° | 58.9° |
| O01 | C1 | C2 | H6 | 76.5° | 177.8° |
| C3 | C4 | O4 | C5 | 127.9° | 119.8° |
| C3 | C4 | O4 | H1 | 115.5° | 120.2° |
| C3 | C4 | C5 | H1 | 120.0° | 120.0° |
| C3 | C4 | C5 | O5 | 24.9° | 57.6° |
| C3 | C4 | C5 | C6 | 104.9° | 177.6° |
| C3 | C4 | C5 | H2 | 141.9° | 62.3° |
| C4 | C3 | C2 | H6 | 151.3° | 62.9° |
| C4 | C3 | O03 | H15 | 54.8° | 60.5° |
| C3 | C4 | O4 | H18 | 180.0° | 179.7° |
| C1 | O5 | C5 | C4 | 39.0° | 61.1° |
| C1 | O5 | C5 | C6 | 90.9° | 178.9° |
| C1 | O5 | C5 | H2 | 155.2° | 58.8° |
| O5 | C1 | C2 | H6 | 163.2° | 62.3° |
| O5 | C1 | O01 | H10 | 56.3° | 60.1° |
| O4 | C4 | C5 | H1 | 117.6° | 120.1° |
| O4 | C4 | C5 | O5 | 147.3° | 62.4° |
| O4 | C4 | C5 | C6 | 17.5° | 57.7° |
| O4 | C4 | C5 | H2 | 95.7° | 177.7° |
| O4 | C4 | C3 | H14 | 26.7° | 56.9° |
| C4 | C5 | O5 | C6 | 129.9° | 120.0° |
| C4 | C5 | O5 | H2 | 116.1° | 119.9° |
| C4 | C5 | C6 | H2 | 113.1° | 120.0° |
| C4 | C5 | C6 | O6 | 163.7° | 175.0° |
| C4 | C5 | C6 | H3 | 76.5° | 65.0° |
| C4 | C5 | C6 | H4 | 43.9° | 55.0° |
| C5 | C4 | C3 | H14 | 96.9° | 176.9° |
| C5 | C4 | O4 | H18 | 52.1° | 60.0° |
| O5 | C5 | C6 | H2 | 114.7° | 120.0° |
| O5 | C5 | C6 | O6 | 64.2° | 65.0° |
| O5 | C5 | C4 | H1 | 95.0° | 177.6° |
| O5 | C5 | C6 | H3 | 55.6° | 54.9° |
| O5 | C5 | C6 | H4 | 176.0° | 175.0° |
| C5 | O5 | C1 | H9 | 70.4° | 178.9° |
| C5 | C6 | O6 | H3 | 119.8° | 120.0° |
| C5 | C6 | O6 | H4 | 119.8° | 120.0° |
| C6 | C5 | C4 | H1 | 135.1° | 62.4° |
| C5 | C6 | H3 | H4 | 120.6° | 120.0° |
| C5 | C6 | O6 | H5 | 180.0° | 180.0° |
| O6 | C6 | C5 | H2 | 50.5° | 55.0° |
| O6 | C6 | H3 | H4 | 120.7° | 120.0° |
| H1 | C4 | C5 | H2 | 21.9° | 57.7° |
| H1 | C4 | C3 | H14 | 143.2° | 63.2° |
| H1 | C4 | O4 | H18 | 64.5° | 60.1° |
| H2 | C5 | C6 | H3 | 170.3° | 174.9° |
| H2 | C5 | C6 | H4 | 69.3° | 65.0° |
| H3 | C6 | O6 | H5 | 60.2° | 60.1° |
| H4 | C6 | O6 | H5 | 60.3° | 60.0° |
| H6 | C2 | N2 | H7 | 176.1° | 145.2° |
| H6 | C2 | C1 | H9 | 41.4° | 57.7° |
| H6 | C2 | C3 | H14 | 29.8° | 57.0° |
| H8 | C01 | C02 | H11 | 3.8° | 13.6° |
| H9 | C1 | O01 | H10 | 63.1° | 59.9° |
| H11 | C02 | C03 | H12 | 177.4° | 70.1° |
| H11 | C02 | C03 | H13 | 57.3° | 170.0° |
| H12 | C03 | C04 | H16 | 89.9° | 180.0° |
| H12 | C03 | C04 | H17 | 150.3° | 60.1° |
| H13 | C03 | C04 | H16 | 30.1° | 60.1° |
| H13 | C03 | C04 | H17 | 89.6° | 180.0° |
| H14 | C3 | O03 | H15 | 62.7° | 59.8° |
| H16 | C04 | C05 | H19 | 25.0° | 180.0° |
| H16 | C04 | C05 | H20 | 96.9° | 60.0° |
| H17 | C04 | C05 | H19 | 94.8° | 60.0° |
| H17 | C04 | C05 | H20 | 143.4° | 180.0° |
| H19 | C05 | C06 | H21 | 145.8° | 180.0° |
| H19 | C05 | C06 | H22 | 28.5° | 60.0° |
| H20 | C05 | C06 | H21 | 92.4° | 60.0° |
| H20 | C05 | C06 | H22 | 150.4° | 180.0° |
| H21 | C06 | C07 | H23 | 124.1° | 180.0° |
| H21 | C06 | C07 | H24 | 115.2° | 60.0° |
| H22 | C06 | C07 | H23 | 6.9° | 59.9° |
| H22 | C06 | C07 | H24 | 127.6° | 180.0° |
| H23 | C07 | C08 | H25 | 158.1° | 175.0° |
| H24 | C07 | C08 | H25 | 37.5° | 65.0° |
| H25 | C08 | C09 | H26 | 179.6° | 180.0° |
| H26 | C09 | C10 | H27 | 62.7° | 65.0° |
| H26 | C09 | C10 | H28 | 56.4° | 175.0° |
| H27 | C10 | C11 | H29 | 25.0° | NaN° |
| H27 | C10 | C11 | H30 | 94.0° | 60.0° |
| H28 | C10 | C11 | H29 | 94.0° | 60.0° |
| H28 | C10 | C11 | H30 | 146.9° | 180.0° |
| H29 | C11 | C12 | H31 | 116.4° | 180.0° |
| H29 | C11 | C12 | H32 | 3.7° | 60.0° |
| H30 | C11 | C12 | H31 | 124.6° | 60.0° |
| H30 | C11 | C12 | H32 | 115.3° | 180.0° |
| H31 | C12 | C13 | H33 | 104.6° | NaN° |
| H31 | C12 | C13 | H34 | 136.4° | 60.0° |
| H32 | C12 | C13 | H33 | 15.5° | 60.0° |
| H32 | C12 | C13 | H34 | 103.6° | 180.0° |
| H33 | C13 | C14 | H35 | 110.9° | 180.0° |
| H33 | C13 | C14 | H36 | 129.5° | 60.0° |
| H34 | C13 | C14 | H35 | 8.2° | 60.0° |
| H34 | C13 | C14 | H36 | 111.5° | 180.0° |
| H35 | C14 | C15 | H37 | 59.8° | 180.0° |
| H35 | C14 | C15 | H38 | 179.8° | 60.0° |
| H35 | C14 | C15 | H39 | 60.2° | 60.0° |
| H36 | C14 | C15 | H37 | 59.8° | 60.0° |
| H36 | C14 | C15 | H38 | 60.2° | 180.0° |
| H36 | C14 | C15 | H39 | 179.8° | 60.0° |
| H37 | C15 | H38 | H39 | 120.0° | 120.0° |
