X6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| S11 | C12 | sing | 1.81Å | 1.88Å | |
| S11 | C10 | sing | 1.81Å | 1.86Å | |
| C12 | C20 | sing | 1.51Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.54Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C20 | N22 | sing | 1.35Å | 1.41Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | O05 | sing | 1.45Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| N08 | C09 | sing | 1.47Å | 1.48Å | |
| N08 | C06 | sing | 1.35Å | 1.41Å | |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| C09 | C32 | sing | 1.53Å | 1.58Å | |
| C06 | O05 | sing | 1.35Å | 1.39Å | |
| C06 | O07 | doub | 1.21Å | 1.22Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | doub | 1.41Å | 1.44Å | Aromatic |
| C33 | C42 | sing | 1.36Å | 1.37Å | Aromatic |
| C34 | C39 | sing | 1.42Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.36Å | 1.36Å | Aromatic |
| C42 | C41 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C38 | sing | 1.41Å | 1.42Å | Aromatic |
| C39 | C40 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | N30 | doub | 1.32Å | 1.35Å | Aromatic |
| C41 | C40 | sing | 1.36Å | 1.36Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| N08 | H40 | sing | 0.97Å | 1.00Å | |
| N22 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 119.0° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C16 | C17 | H5 | 120.5° | 120.0° |
| C17 | C16 | H18 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C18 | C17 | H5 | 120.5° | 120.0° |
| C17 | C18 | H19 | 119.6° | 120.1° |
| C16 | C15 | C14 | 120.8° | 120.1° |
| C16 | C15 | H4 | 119.6° | 120.0° |
| C15 | C16 | H18 | 119.8° | 120.0° |
| C18 | C19 | C14 | 120.7° | 120.0° |
| C19 | C18 | H19 | 119.6° | 119.9° |
| C18 | C19 | H20 | 119.6° | 120.1° |
| C15 | C14 | C19 | 118.4° | 119.9° |
| C15 | C14 | C13 | 121.4° | 120.0° |
| C14 | C15 | H4 | 119.6° | 120.0° |
| C19 | C14 | C13 | 120.2° | 120.0° |
| C14 | C19 | H20 | 119.7° | 119.9° |
| C14 | C13 | C12 | 114.2° | 109.5° |
| C14 | C13 | H16 | 108.3° | 109.5° |
| C14 | C13 | H17 | 108.3° | 109.4° |
| C13 | C12 | S11 | 108.4° | 109.5° |
| C13 | C12 | C20 | 109.2° | 109.4° |
| C13 | C12 | H1 | 111.9° | 109.4° |
| C12 | C13 | H16 | 108.3° | 109.5° |
| C12 | C13 | H17 | 108.3° | 109.4° |
| C12 | S11 | C10 | 112.4° | 103.0° |
| S11 | C12 | C20 | 107.8° | 109.5° |
| S11 | C12 | H1 | 107.6° | 109.5° |
| S11 | C10 | C09 | 111.9° | 109.5° |
| S11 | C10 | H2 | 108.9° | 109.5° |
| S11 | C10 | H3 | 108.9° | 109.4° |
| C12 | C20 | O21 | 121.4° | 120.0° |
| C12 | C20 | N22 | 123.1° | 120.0° |
| C20 | C12 | H1 | 111.8° | 109.5° |
| C01 | C02 | C04 | 111.4° | 109.5° |
| C01 | C02 | C03 | 108.3° | 109.5° |
| C01 | C02 | O05 | 107.4° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C04 | C02 | C03 | 106.6° | 109.5° |
| C04 | C02 | O05 | 114.9° | 109.5° |
| C02 | C04 | H12 | 109.5° | 109.4° |
| C02 | C04 | H13 | 109.5° | 109.4° |
| C02 | C04 | H14 | 109.4° | 109.4° |
| O21 | C20 | N22 | 115.4° | 120.0° |
| C20 | N22 | C23 | 126.7° | 120.0° |
| C20 | N22 | H41 | 116.7° | 120.0° |
| C03 | C02 | O05 | 108.0° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.4° |
| C02 | O05 | C06 | 117.9° | 117.0° |
| C10 | C09 | N08 | 111.6° | 109.5° |
| C10 | C09 | C32 | 111.1° | 109.5° |
| C09 | C10 | H2 | 108.9° | 109.5° |
| C09 | C10 | H3 | 108.8° | 109.5° |
| C10 | C09 | H15 | 107.8° | 109.5° |
| C09 | N08 | C06 | 122.2° | 120.0° |
| N08 | C09 | C32 | 109.6° | 109.5° |
| N08 | C09 | H15 | 108.9° | 109.4° |
| C09 | N08 | H40 | 118.9° | 120.0° |
| N08 | C06 | O05 | 115.8° | 120.0° |
| N08 | C06 | O07 | 123.7° | 120.0° |
| C06 | N08 | H40 | 118.9° | 120.0° |
| N22 | C23 | C24 | 117.6° | 109.4° |
| N22 | C23 | H21 | 107.4° | 109.4° |
| N22 | C23 | H22 | 107.4° | 109.5° |
| C23 | N22 | H41 | 116.6° | 120.1° |
| C09 | C32 | C33 | 119.1° | 109.5° |
| C32 | C09 | H15 | 107.7° | 109.4° |
| C09 | C32 | H31 | 107.0° | 109.5° |
| C09 | C32 | H32 | 107.0° | 109.5° |
| O05 | C06 | O07 | 120.5° | 120.0° |
| C23 | C24 | C25 | 117.0° | 109.4° |
| C24 | C23 | H21 | 107.4° | 109.5° |
| C24 | C23 | H22 | 107.4° | 109.5° |
| C23 | C24 | H23 | 107.6° | 109.5° |
| C23 | C24 | H24 | 107.6° | 109.4° |
| C24 | C25 | C26 | 116.8° | 109.5° |
| C25 | C24 | H23 | 107.5° | 109.5° |
| C25 | C24 | H24 | 107.5° | 109.5° |
| C24 | C25 | H25 | 107.6° | 109.6° |
| C24 | C25 | H26 | 107.6° | 109.5° |
| C25 | C26 | C27 | 123.7° | 120.4° |
| C25 | C26 | C31 | 121.2° | 120.4° |
| C26 | C25 | H25 | 107.6° | 109.4° |
| C26 | C25 | H26 | 107.6° | 109.4° |
| C32 | C33 | C34 | 123.4° | 120.2° |
| C32 | C33 | C42 | 120.1° | 120.2° |
| C33 | C32 | H31 | 107.0° | 109.5° |
| C33 | C32 | H32 | 107.0° | 109.5° |
| C26 | C27 | C28 | 121.2° | 118.4° |
| C27 | C26 | C31 | 115.2° | 119.1° |
| C26 | C27 | H27 | 119.4° | 120.7° |
| C27 | C28 | C29 | 118.8° | 119.2° |
| C28 | C27 | H27 | 119.4° | 120.9° |
| C27 | C28 | H28 | 120.6° | 120.4° |
| C36 | C35 | C34 | 121.4° | 119.7° |
| C35 | C36 | C37 | 121.4° | 121.0° |
| C36 | C35 | H33 | 119.3° | 120.2° |
| C35 | C36 | H34 | 119.3° | 119.5° |
| C35 | C34 | C33 | 122.5° | 121.3° |
| C35 | C34 | C39 | 116.5° | 119.3° |
| C34 | C35 | H33 | 119.3° | 120.2° |
| C36 | C37 | C38 | 119.1° | 121.0° |
| C37 | C36 | H34 | 119.3° | 119.4° |
| C36 | C37 | H35 | 120.4° | 119.5° |
| C26 | C31 | N30 | 125.1° | 120.8° |
| C26 | C31 | H30 | 117.5° | 119.6° |
| C34 | C33 | C42 | 116.5° | 119.6° |
| C33 | C34 | C39 | 121.1° | 119.4° |
| C33 | C42 | C41 | 122.0° | 121.0° |
| C33 | C42 | H39 | 119.0° | 119.5° |
| C34 | C39 | C38 | 121.9° | 119.4° |
| C34 | C39 | C40 | 120.2° | 119.3° |
| C28 | C29 | N30 | 121.8° | 120.8° |
| C29 | C28 | H28 | 120.6° | 120.4° |
| C28 | C29 | H29 | 119.1° | 119.6° |
| C37 | C38 | C39 | 119.8° | 119.7° |
| C38 | C37 | H35 | 120.5° | 119.5° |
| C37 | C38 | H36 | 120.1° | 120.1° |
| C42 | C41 | C40 | 121.8° | 121.0° |
| C42 | C41 | H38 | 119.1° | 119.5° |
| C41 | C42 | H39 | 119.0° | 119.5° |
| C38 | C39 | C40 | 117.9° | 121.3° |
| C39 | C38 | H36 | 120.1° | 120.2° |
| C39 | C40 | C41 | 118.4° | 119.7° |
| C39 | C40 | H37 | 120.8° | 120.1° |
| C31 | N30 | C29 | 117.8° | 121.7° |
| N30 | C31 | H30 | 117.4° | 119.6° |
| C41 | C40 | H37 | 120.8° | 120.2° |
| C40 | C41 | H38 | 119.1° | 119.5° |
| N30 | C29 | H29 | 119.1° | 119.6° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.4° | 109.5° |
| H9 | C03 | H11 | 109.5° | 109.4° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H12 | C04 | H14 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.6° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H31 | C32 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H5 | 180.0° | 179.8° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.2° | 0.2° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H4 | 179.9° | 180.0° |
| C16 | C17 | C18 | H19 | 178.8° | 180.0° |
| C18 | C17 | C16 | C15 | 1.0° | 0.2° |
| C17 | C18 | C19 | H19 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 0.6° | 0.1° |
| C18 | C17 | C16 | H18 | 179.0° | 179.8° |
| C17 | C18 | C19 | H20 | 179.4° | 180.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.4° | 0.3° |
| C16 | C15 | C14 | C13 | 180.0° | 180.0° |
| C15 | C16 | C17 | H5 | 179.1° | 180.0° |
| C18 | C19 | C14 | C15 | 0.2° | 0.3° |
| C18 | C19 | C14 | H20 | 180.0° | 179.9° |
| C18 | C19 | C14 | C13 | 179.8° | 180.0° |
| C19 | C18 | C17 | H5 | 178.8° | 180.0° |
| C15 | C14 | C19 | C13 | 179.6° | 179.7° |
| C15 | C14 | C13 | C12 | 136.2° | 90.3° |
| C15 | C14 | C13 | H16 | 103.1° | 29.7° |
| C15 | C14 | C13 | H17 | 15.5° | 149.7° |
| C14 | C15 | C16 | H18 | 179.8° | 180.0° |
| C15 | C14 | C19 | H20 | 179.8° | 179.8° |
| C19 | C14 | C13 | C12 | 43.4° | 89.4° |
| C19 | C14 | C15 | H4 | 179.6° | 179.8° |
| C19 | C14 | C13 | H16 | 77.3° | 150.6° |
| C19 | C14 | C13 | H17 | 164.1° | 30.6° |
| C14 | C19 | C18 | H19 | 179.4° | 179.7° |
| C14 | C13 | C12 | H16 | 120.7° | 120.1° |
| C14 | C13 | C12 | H17 | 120.7° | 120.0° |
| C14 | C13 | C12 | S11 | 155.0° | 176.1° |
| C14 | C13 | C12 | C20 | 87.8° | 63.9° |
| C14 | C13 | C12 | H1 | 36.5° | 56.1° |
| C13 | C14 | C15 | H4 | 0.0° | 0.1° |
| C14 | C13 | H16 | H17 | 117.8° | 120.0° |
| C13 | C14 | C19 | H20 | 0.2° | 0.1° |
| C13 | C12 | S11 | C20 | 118.1° | 120.0° |
| C13 | C12 | S11 | H1 | 121.2° | 120.0° |
| C13 | C12 | S11 | C10 | 145.9° | 67.0° |
| C13 | C12 | C20 | H1 | 124.5° | 120.0° |
| C13 | C12 | C20 | O21 | 63.2° | 95.0° |
| C13 | C12 | C20 | N22 | 115.9° | 85.0° |
| C12 | C13 | H16 | H17 | 117.9° | 120.0° |
| S11 | C12 | C20 | H1 | 118.0° | 120.0° |
| S11 | C12 | C20 | O21 | 54.3° | 25.0° |
| S11 | C12 | C20 | N22 | 126.5° | 155.0° |
| C12 | S11 | C10 | C09 | 64.8° | 174.8° |
| C12 | S11 | C10 | H2 | 174.8° | 65.2° |
| C12 | S11 | C10 | H3 | 55.6° | 54.8° |
| S11 | C12 | C13 | H16 | 34.3° | 63.8° |
| S11 | C12 | C13 | H17 | 84.3° | 56.2° |
| C10 | S11 | C12 | C20 | 27.8° | 173.0° |
| S11 | C10 | C09 | H2 | 120.4° | 120.0° |
| S11 | C10 | C09 | H3 | 120.4° | 120.0° |
| S11 | C10 | C09 | N08 | 80.2° | 65.0° |
| S11 | C10 | C09 | C32 | 157.0° | 175.0° |
| C10 | S11 | C12 | H1 | 92.8° | 53.0° |
| S11 | C10 | H2 | H3 | 118.9° | 120.0° |
| S11 | C10 | C09 | H15 | 39.2° | 55.0° |
| C12 | C20 | O21 | N22 | 179.2° | 180.0° |
| C12 | C20 | N22 | C23 | 180.0° | 180.0° |
| C20 | C12 | C13 | H16 | 151.5° | 56.2° |
| C20 | C12 | C13 | H17 | 32.8° | 176.2° |
| C12 | C20 | N22 | H41 | 0.0° | 0.1° |
| C01 | C02 | C04 | C03 | 118.0° | 120.0° |
| C01 | C02 | C04 | O05 | 122.4° | 120.0° |
| C01 | C02 | C03 | O05 | 116.0° | 120.0° |
| C01 | C02 | O05 | C06 | 76.6° | 57.9° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 180.0° | 60.0° |
| C01 | C02 | C03 | H10 | 60.0° | 180.0° |
| C01 | C02 | C03 | H11 | 60.0° | 60.0° |
| C01 | C02 | C04 | H12 | 180.0° | 60.0° |
| C01 | C02 | C04 | H13 | 60.0° | 180.0° |
| C01 | C02 | C04 | H14 | 60.0° | 60.0° |
| C04 | C02 | C03 | O05 | 124.0° | 120.0° |
| C04 | C02 | O05 | C06 | 47.9° | 177.9° |
| C04 | C02 | C01 | H6 | 180.0° | 176.2° |
| C04 | C02 | C01 | H7 | 60.0° | 56.1° |
| C04 | C02 | C01 | H8 | 60.0° | 63.9° |
| C04 | C02 | C03 | H9 | 60.0° | 60.1° |
| C04 | C02 | C03 | H10 | 180.0° | 60.0° |
| C04 | C02 | C03 | H11 | 60.0° | 180.0° |
| C02 | C04 | H12 | H13 | 120.0° | 119.9° |
| C02 | C04 | H12 | H14 | 120.0° | 119.9° |
| C02 | C04 | H13 | H14 | 120.0° | 120.0° |
| O21 | C20 | N22 | C23 | 0.9° | 0.1° |
| O21 | C20 | C12 | H1 | 172.3° | 145.0° |
| O21 | C20 | N22 | H41 | 179.1° | 179.9° |
| C20 | N22 | C23 | H41 | 180.0° | 179.9° |
| C20 | N22 | C23 | C24 | 89.6° | 180.0° |
| N22 | C20 | C12 | H1 | 8.6° | 35.0° |
| C20 | N22 | C23 | H21 | 149.2° | 60.1° |
| C20 | N22 | C23 | H22 | 31.5° | 60.0° |
| C03 | C02 | O05 | C06 | 166.8° | 62.1° |
| C03 | C02 | C01 | H6 | 63.1° | 63.9° |
| C03 | C02 | C01 | H7 | 177.0° | 176.1° |
| C03 | C02 | C01 | H8 | 57.0° | 56.1° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C03 | C02 | C04 | H12 | 62.0° | 180.0° |
| C03 | C02 | C04 | H13 | 58.0° | 60.0° |
| C03 | C02 | C04 | H14 | 178.0° | 60.0° |
| C02 | O05 | C06 | N08 | 89.9° | 177.2° |
| C02 | O05 | C06 | O07 | 89.6° | 2.8° |
| O05 | C02 | C01 | H6 | 53.4° | 56.2° |
| O05 | C02 | C01 | H7 | 66.6° | 63.9° |
| O05 | C02 | C01 | H8 | 173.4° | 176.1° |
| O05 | C02 | C03 | H9 | 63.9° | 179.9° |
| O05 | C02 | C03 | H10 | 56.0° | 60.0° |
| O05 | C02 | C03 | H11 | 176.0° | 60.0° |
| O05 | C02 | C04 | H12 | 57.5° | 60.0° |
| O05 | C02 | C04 | H13 | 177.6° | 60.0° |
| O05 | C02 | C04 | H14 | 62.4° | 179.9° |
| C10 | C09 | N08 | C32 | 123.6° | 120.0° |
| C10 | C09 | N08 | H15 | 118.9° | 120.1° |
| C10 | C09 | N08 | C06 | 74.5° | 59.5° |
| C10 | C09 | C32 | H15 | 117.8° | 120.0° |
| C10 | C09 | C32 | C33 | 122.2° | 66.0° |
| C09 | C10 | H2 | H3 | 118.9° | 120.0° |
| C10 | C09 | C32 | H31 | 116.4° | 174.0° |
| C10 | C09 | C32 | H32 | 0.8° | 54.1° |
| C10 | C09 | N08 | H40 | 105.5° | 120.5° |
| C09 | N08 | C06 | H40 | 180.0° | 180.0° |
| N08 | C09 | C32 | H15 | 118.3° | 119.9° |
| C09 | N08 | C06 | O05 | 154.1° | 175.8° |
| C09 | N08 | C06 | O07 | 26.4° | 4.2° |
| N08 | C09 | C32 | C33 | 113.9° | 174.0° |
| N08 | C09 | C10 | H2 | 40.1° | 175.0° |
| N08 | C09 | C10 | H3 | 159.4° | 55.0° |
| N08 | C09 | C32 | H31 | 7.5° | 54.0° |
| N08 | C09 | C32 | H32 | 124.7° | 66.0° |
| C06 | N08 | C09 | C32 | 49.1° | 60.6° |
| N08 | C06 | O05 | O07 | 179.5° | 180.0° |
| C06 | N08 | C09 | H15 | 166.7° | 179.5° |
| N22 | C23 | C24 | H21 | 121.2° | 119.9° |
| N22 | C23 | C24 | H22 | 121.2° | 120.0° |
| N22 | C23 | C24 | C25 | 86.2° | 180.0° |
| N22 | C23 | H21 | H22 | 116.3° | 120.0° |
| N22 | C23 | C24 | H23 | 152.7° | 60.0° |
| N22 | C23 | C24 | H24 | 34.8° | 60.1° |
| C09 | C32 | C33 | H31 | 121.4° | 120.0° |
| C09 | C32 | C33 | H32 | 121.4° | 120.0° |
| C09 | C32 | C33 | C34 | 62.3° | 82.2° |
| C09 | C32 | C33 | C42 | 118.0° | 98.0° |
| C32 | C09 | C10 | H2 | 82.6° | 55.0° |
| C32 | C09 | C10 | H3 | 36.6° | 65.1° |
| C09 | C32 | H31 | H32 | 115.6° | 120.0° |
| C32 | C09 | N08 | H40 | 130.9° | 119.5° |
| O05 | C06 | N08 | H40 | 25.9° | 4.1° |
| O07 | C06 | N08 | H40 | 153.6° | 175.9° |
| C23 | C24 | C25 | H23 | 121.1° | 120.0° |
| C23 | C24 | C25 | H24 | 121.1° | 119.9° |
| C23 | C24 | C25 | C26 | 42.4° | 180.0° |
| C24 | C23 | H21 | H22 | 116.3° | 120.1° |
| C23 | C24 | H23 | H24 | 116.6° | 120.0° |
| C23 | C24 | C25 | H25 | 163.5° | 60.0° |
| C23 | C24 | C25 | H26 | 78.7° | 60.1° |
| C24 | C23 | N22 | H41 | 90.4° | 0.1° |
| C24 | C25 | C26 | H25 | 121.1° | 120.1° |
| C24 | C25 | C26 | H26 | 121.1° | 120.0° |
| C24 | C25 | C26 | C27 | 98.0° | 89.7° |
| C24 | C25 | C26 | C31 | 82.0° | 90.0° |
| C25 | C24 | C23 | H21 | 34.9° | 60.1° |
| C25 | C24 | C23 | H22 | 152.6° | 60.0° |
| C25 | C24 | H23 | H24 | 116.5° | 120.0° |
| C24 | C25 | H25 | H26 | 116.7° | 120.0° |
| C25 | C26 | C27 | C31 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 179.9° | 180.0° |
| C25 | C26 | C31 | N30 | 179.8° | 179.7° |
| C26 | C25 | C24 | H23 | 78.7° | 60.0° |
| C26 | C25 | C24 | H24 | 163.5° | 60.1° |
| C26 | C25 | H25 | H26 | 116.7° | 119.9° |
| C25 | C26 | C27 | H27 | 0.1° | 0.0° |
| C25 | C26 | C31 | H30 | 0.2° | 0.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | C42 | 179.8° | 179.8° |
| C32 | C33 | C34 | C39 | 180.0° | 180.0° |
| C32 | C33 | C42 | C41 | 179.8° | 179.8° |
| C33 | C32 | C09 | H15 | 4.4° | 54.1° |
| C33 | C32 | H31 | H32 | 115.6° | 120.0° |
| C32 | C33 | C42 | H39 | 0.2° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C27 | C26 | C31 | N30 | 0.2° | 0.5° |
| C27 | C26 | C25 | H25 | 140.9° | 150.2° |
| C27 | C26 | C25 | H26 | 23.1° | 30.3° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C26 | C31 | H30 | 179.8° | 179.8° |
| C28 | C27 | C26 | C31 | 0.1° | 0.2° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 0.1° | 0.0° |
| C27 | C28 | C29 | H29 | 179.9° | 179.9° |
| C36 | C35 | C34 | H33 | 180.0° | 179.9° |
| C35 | C36 | C37 | H34 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 179.9° | 179.9° |
| C36 | C35 | C34 | C39 | 0.3° | 0.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.1° |
| C35 | C36 | C37 | H35 | 179.9° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C35 | C34 | C33 | C39 | 179.9° | 179.9° |
| C35 | C34 | C33 | C42 | 179.7° | 179.7° |
| C35 | C34 | C39 | C38 | 0.1° | 0.1° |
| C35 | C34 | C39 | C40 | 179.9° | 180.0° |
| C34 | C35 | C36 | H34 | 179.7° | 180.0° |
| C36 | C37 | C38 | H35 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C37 | C36 | C35 | H33 | 179.7° | 180.0° |
| C36 | C37 | C38 | H36 | 180.0° | 180.0° |
| C26 | C31 | N30 | H30 | 180.0° | 179.7° |
| C26 | C31 | N30 | C29 | 0.1° | 0.6° |
| C31 | C26 | C25 | H25 | 39.1° | 30.0° |
| C31 | C26 | C25 | H26 | 156.9° | 150.0° |
| C31 | C26 | C27 | H27 | 179.9° | 179.7° |
| C34 | C33 | C42 | C41 | 0.4° | 0.5° |
| C33 | C34 | C39 | C38 | 180.0° | 180.0° |
| C33 | C34 | C39 | C40 | 0.0° | 0.1° |
| C34 | C33 | C32 | H31 | 59.1° | 37.8° |
| C34 | C33 | C32 | H32 | 176.4° | 157.8° |
| C33 | C34 | C35 | H33 | 0.1° | 0.0° |
| C34 | C33 | C42 | H39 | 179.6° | 179.7° |
| C42 | C33 | C34 | C39 | 0.2° | 0.2° |
| C33 | C42 | C41 | H39 | 180.0° | 179.8° |
| C33 | C42 | C41 | C40 | 0.3° | 0.5° |
| C42 | C33 | C32 | H31 | 120.7° | 141.9° |
| C42 | C33 | C32 | H32 | 3.4° | 22.0° |
| C33 | C42 | C41 | H38 | 179.7° | 179.7° |
| C34 | C39 | C38 | C37 | 0.0° | 0.0° |
| C34 | C39 | C38 | C40 | 180.0° | 179.9° |
| C34 | C39 | C40 | C41 | 0.1° | 0.0° |
| C39 | C34 | C35 | H33 | 179.7° | 179.9° |
| C34 | C39 | C38 | H36 | 180.0° | 179.9° |
| C34 | C39 | C40 | H37 | 179.9° | 180.0° |
| C28 | C29 | N30 | C31 | 0.0° | 0.3° |
| C28 | C29 | N30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C37 | C38 | C39 | H36 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 180.0° | 180.0° |
| C38 | C37 | C36 | H34 | 179.9° | 180.0° |
| C42 | C41 | C40 | C39 | 0.1° | 0.2° |
| C42 | C41 | C40 | H38 | 180.0° | 179.8° |
| C42 | C41 | C40 | H37 | 179.9° | 179.7° |
| C38 | C39 | C40 | C41 | 179.9° | 180.0° |
| C39 | C38 | C37 | H35 | 180.0° | 180.0° |
| C38 | C39 | C40 | H37 | 0.0° | 0.0° |
| C39 | C40 | C41 | H37 | 180.0° | 180.0° |
| C40 | C39 | C38 | H36 | 0.0° | 0.0° |
| C39 | C40 | C41 | H38 | 179.9° | 180.0° |
| C31 | N30 | C29 | H29 | 180.0° | 179.7° |
| C40 | C41 | C42 | H39 | 179.6° | 179.7° |
| N30 | C29 | C28 | H28 | 179.9° | 179.9° |
| C29 | N30 | C31 | H30 | 179.9° | 179.7° |
| H1 | C12 | C13 | H16 | 84.2° | 176.2° |
| H1 | C12 | C13 | H17 | 157.2° | 63.9° |
| H2 | C10 | C09 | H15 | 159.6° | 65.0° |
| H3 | C10 | C09 | H15 | 81.1° | 175.0° |
| H4 | C15 | C16 | H18 | 0.2° | 0.0° |
| H5 | C17 | C16 | H18 | 1.0° | 0.0° |
| H5 | C17 | C18 | H19 | 1.2° | 0.2° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
| H12 | C04 | H13 | H14 | 120.0° | 120.1° |
| H15 | C09 | C32 | H31 | 125.8° | 66.0° |
| H15 | C09 | C32 | H32 | 117.0° | 174.1° |
| H15 | C09 | N08 | H40 | 13.3° | 0.5° |
| H19 | C18 | C19 | H20 | 0.6° | 0.2° |
| H21 | C23 | C24 | H23 | 86.2° | 59.9° |
| H21 | C23 | C24 | H24 | 156.0° | 180.0° |
| H21 | C23 | N22 | H41 | 30.8° | 120.0° |
| H22 | C23 | C24 | H23 | 31.5° | 180.0° |
| H22 | C23 | C24 | H24 | 86.4° | 59.9° |
| H22 | C23 | N22 | H41 | 148.5° | 119.9° |
| H23 | C24 | C25 | H25 | 42.4° | 180.0° |
| H23 | C24 | C25 | H26 | 160.2° | 60.0° |
| H24 | C24 | C25 | H25 | 75.5° | 59.9° |
| H24 | C24 | C25 | H26 | 42.4° | 180.0° |
| H27 | C27 | C28 | H28 | 0.0° | 0.1° |
| H28 | C28 | C29 | H29 | 0.1° | 0.0° |
| H33 | C35 | C36 | H34 | 0.3° | 0.0° |
| H34 | C36 | C37 | H35 | 0.1° | 0.0° |
| H35 | C37 | C38 | H36 | 0.0° | 0.1° |
| H37 | C40 | C41 | H38 | 0.1° | 0.0° |
| H38 | C41 | C42 | H39 | 0.3° | 0.1° |
