X6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.36Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.36Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.41Å | 1.42Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | doub | 1.40Å | 1.42Å | Aromatic |
| O07 | C06 | doub | 1.21Å | 1.19Å | |
| C42 | C37 | sing | 1.42Å | 1.36Å | Aromatic |
| C42 | C33 | sing | 1.41Å | 1.41Å | Aromatic |
| N08 | C06 | sing | 1.35Å | 1.47Å | |
| N08 | C09 | sing | 1.46Å | 1.45Å | |
| C03 | C02 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.32Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | O05 | sing | 1.35Å | 1.43Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C09 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.41Å | 1.43Å | Aromatic |
| C02 | O05 | sing | 1.45Å | 1.44Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | doub | 1.36Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| N30 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C36 | C35 | doub | 1.36Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| S11 | C10 | sing | 1.81Å | 1.81Å | |
| S11 | C12 | sing | 1.81Å | 1.78Å | |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C12 | C20 | sing | 1.51Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| N22 | C20 | sing | 1.35Å | 1.46Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C20 | O21 | doub | 1.21Å | 1.19Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | 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 | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | 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) |
| C39 | C40 | C41 | 119.2° | 121.0° |
| C40 | C39 | C38 | 120.6° | 121.0° |
| C40 | C39 | H37 | 119.7° | 119.6° |
| C39 | C40 | H38 | 120.4° | 119.5° |
| C40 | C41 | C42 | 119.7° | 119.7° |
| C41 | C40 | H38 | 120.4° | 119.6° |
| C40 | C41 | H39 | 120.2° | 120.1° |
| C39 | C38 | C37 | 120.5° | 119.6° |
| C39 | C38 | H36 | 119.8° | 120.1° |
| C38 | C39 | H37 | 119.7° | 119.5° |
| C41 | C42 | C37 | 121.7° | 119.4° |
| C41 | C42 | C33 | 117.9° | 121.3° |
| C42 | C41 | H39 | 120.1° | 120.2° |
| C04 | C02 | C03 | 106.5° | 109.4° |
| C04 | C02 | O05 | 110.7° | 109.5° |
| C04 | C02 | C01 | 110.6° | 109.5° |
| C02 | C04 | H9 | 109.5° | 109.5° |
| C02 | C04 | H10 | 109.5° | 109.5° |
| C02 | C04 | H11 | 109.5° | 109.4° |
| C38 | C37 | C42 | 118.3° | 119.4° |
| C38 | C37 | C36 | 121.8° | 121.3° |
| C37 | C38 | H36 | 119.7° | 120.2° |
| O07 | C06 | N08 | 119.0° | 120.0° |
| O07 | C06 | O05 | 121.6° | 120.0° |
| C37 | C42 | C33 | 120.4° | 119.4° |
| C42 | C37 | C36 | 120.0° | 119.4° |
| C42 | C33 | C32 | 116.7° | 120.2° |
| C42 | C33 | C34 | 120.6° | 119.6° |
| C06 | N08 | C09 | 117.8° | 120.0° |
| N08 | C06 | O05 | 119.5° | 120.0° |
| C06 | N08 | H40 | 121.1° | 120.0° |
| N08 | C09 | C32 | 108.1° | 109.5° |
| N08 | C09 | C10 | 107.9° | 109.5° |
| N08 | C09 | H12 | 110.8° | 109.5° |
| C09 | N08 | H40 | 121.1° | 120.0° |
| C03 | C02 | O05 | 110.8° | 109.5° |
| C03 | C02 | C01 | 108.0° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.4° | 109.5° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C28 | C29 | N30 | 121.2° | 120.8° |
| C29 | C28 | C27 | 119.1° | 119.1° |
| C29 | C28 | H28 | 120.5° | 120.4° |
| C28 | C29 | H29 | 119.4° | 119.6° |
| C29 | N30 | C31 | 121.4° | 121.8° |
| N30 | C29 | H29 | 119.4° | 119.7° |
| C28 | C27 | C26 | 118.3° | 118.4° |
| C28 | C27 | H27 | 120.9° | 120.8° |
| C27 | C28 | H28 | 120.4° | 120.4° |
| C06 | O05 | C02 | 117.2° | 117.0° |
| C33 | C32 | C09 | 111.3° | 109.4° |
| C32 | C33 | C34 | 122.7° | 120.2° |
| C33 | C32 | H31 | 109.0° | 109.5° |
| C33 | C32 | H32 | 109.0° | 109.4° |
| C32 | C09 | C10 | 110.3° | 109.5° |
| C32 | C09 | H12 | 109.7° | 109.5° |
| C09 | C32 | H31 | 109.0° | 109.5° |
| C09 | C32 | H32 | 109.0° | 109.5° |
| C37 | C36 | C35 | 119.4° | 119.6° |
| C37 | C36 | H35 | 120.3° | 120.2° |
| O05 | C02 | C01 | 110.2° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C33 | C34 | C35 | 119.1° | 121.1° |
| C33 | C34 | H33 | 120.4° | 119.5° |
| C09 | C10 | S11 | 105.9° | 109.5° |
| C09 | C10 | H1 | 110.3° | 109.5° |
| C09 | C10 | H2 | 110.3° | 109.5° |
| C10 | C09 | H12 | 109.9° | 109.4° |
| N30 | C31 | C26 | 119.8° | 120.7° |
| N30 | C31 | H30 | 120.1° | 119.6° |
| C27 | C26 | C31 | 120.2° | 119.2° |
| C27 | C26 | C25 | 117.5° | 120.4° |
| C26 | C27 | H27 | 120.8° | 120.8° |
| C36 | C35 | C34 | 120.5° | 121.0° |
| C36 | C35 | H34 | 119.8° | 119.4° |
| C35 | C36 | H35 | 120.3° | 120.2° |
| C35 | C34 | H33 | 120.5° | 119.5° |
| C34 | C35 | H34 | 119.7° | 119.6° |
| C10 | S11 | C12 | 104.2° | 103.0° |
| S11 | C10 | H1 | 110.4° | 109.5° |
| S11 | C10 | H2 | 110.4° | 109.4° |
| S11 | C12 | C13 | 102.8° | 109.4° |
| S11 | C12 | C20 | 108.6° | 109.5° |
| S11 | C12 | H13 | 107.8° | 109.4° |
| C31 | C26 | C25 | 122.3° | 120.4° |
| C26 | C31 | H30 | 120.1° | 119.6° |
| C26 | C25 | C24 | 110.0° | 109.5° |
| C26 | C25 | H25 | 109.3° | 109.5° |
| C26 | C25 | H26 | 109.3° | 109.5° |
| C12 | C13 | C14 | 103.0° | 109.4° |
| C13 | C12 | C20 | 115.4° | 109.5° |
| C13 | C12 | H13 | 111.1° | 109.5° |
| C12 | C13 | H14 | 111.1° | 109.5° |
| C12 | C13 | H15 | 111.1° | 109.5° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C13 | C14 | C19 | 118.2° | 120.0° |
| C14 | C13 | H14 | 111.0° | 109.5° |
| C14 | C13 | H15 | 111.1° | 109.5° |
| C12 | C20 | N22 | 123.5° | 120.0° |
| C12 | C20 | O21 | 119.5° | 120.0° |
| C20 | C12 | H13 | 110.6° | 109.5° |
| C25 | C24 | C23 | 110.5° | 109.4° |
| C25 | C24 | H23 | 109.2° | 109.5° |
| C25 | C24 | H24 | 109.2° | 109.5° |
| C24 | C25 | H25 | 109.3° | 109.5° |
| C24 | C25 | H26 | 109.4° | 109.5° |
| C20 | N22 | C23 | 111.4° | 120.0° |
| N22 | C20 | O21 | 116.9° | 119.9° |
| C20 | N22 | H41 | 124.3° | 120.0° |
| N22 | C23 | C24 | 115.0° | 109.4° |
| N22 | C23 | H21 | 108.1° | 109.5° |
| N22 | C23 | H22 | 108.0° | 109.5° |
| C23 | N22 | H41 | 124.2° | 120.0° |
| C24 | C23 | H21 | 108.1° | 109.5° |
| C24 | C23 | H22 | 108.1° | 109.5° |
| C23 | C24 | H23 | 109.2° | 109.5° |
| C23 | C24 | H24 | 109.2° | 109.5° |
| C15 | C14 | C19 | 122.2° | 120.0° |
| C14 | C15 | C16 | 117.0° | 120.0° |
| C14 | C15 | H16 | 121.5° | 120.1° |
| C14 | C19 | C18 | 120.1° | 120.0° |
| C14 | C19 | H20 | 119.9° | 120.0° |
| C15 | C16 | C17 | 121.0° | 119.9° |
| C16 | C15 | H16 | 121.5° | 119.9° |
| C15 | C16 | H17 | 119.5° | 120.0° |
| C19 | C18 | C17 | 117.8° | 120.0° |
| C19 | C18 | H19 | 121.1° | 120.0° |
| C18 | C19 | H20 | 119.9° | 120.0° |
| C16 | C17 | C18 | 121.9° | 120.1° |
| C17 | C16 | H17 | 119.5° | 120.0° |
| C16 | C17 | H18 | 119.1° | 119.9° |
| C18 | C17 | H18 | 119.0° | 120.0° |
| C17 | C18 | H19 | 121.1° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H6 | C03 | H8 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H9 | C04 | H11 | 109.4° | 109.4° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C40 | C41 | H38 | 180.0° | 180.0° |
| C40 | C39 | C38 | H37 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.4° | 0.3° |
| C40 | C39 | C38 | C37 | 0.7° | 0.1° |
| C40 | C39 | C38 | H36 | 179.3° | 179.9° |
| C39 | C40 | C41 | H39 | 179.6° | 180.0° |
| C41 | C40 | C39 | C38 | 0.7° | 0.0° |
| C40 | C41 | C42 | H39 | 180.0° | 179.8° |
| C40 | C41 | C42 | C37 | 0.1° | 0.5° |
| C40 | C41 | C42 | C33 | 179.8° | 179.7° |
| C41 | C40 | C39 | H37 | 179.3° | 180.0° |
| C39 | C38 | C37 | H36 | 180.0° | 180.0° |
| C39 | C38 | C37 | C42 | 0.3° | 0.2° |
| C39 | C38 | C37 | C36 | 179.7° | 180.0° |
| C38 | C39 | C40 | H38 | 179.3° | 180.0° |
| C41 | C42 | C37 | C38 | 0.0° | 0.5° |
| C41 | C42 | C37 | C33 | 179.9° | 179.2° |
| C41 | C42 | C33 | C32 | 0.1° | 0.6° |
| C41 | C42 | C37 | C36 | 180.0° | 179.7° |
| C41 | C42 | C33 | C34 | 179.9° | 179.7° |
| C42 | C41 | C40 | H38 | 179.6° | 179.7° |
| C04 | C02 | C03 | O05 | 120.4° | 120.0° |
| C04 | C02 | C03 | C01 | 118.8° | 120.0° |
| C04 | C02 | O05 | C06 | 51.7° | 180.0° |
| C04 | C02 | O05 | C01 | 122.7° | 120.0° |
| C04 | C02 | C01 | H3 | 180.0° | 60.0° |
| C04 | C02 | C01 | H4 | 60.0° | 59.9° |
| C04 | C02 | C01 | H5 | 60.0° | 180.0° |
| C04 | C02 | C03 | H6 | 180.0° | 180.0° |
| C04 | C02 | C03 | H7 | 60.0° | 60.1° |
| C04 | C02 | C03 | H8 | 60.0° | 60.0° |
| C02 | C04 | H9 | H10 | 120.0° | 120.0° |
| C02 | C04 | H9 | H11 | 120.0° | 120.0° |
| C02 | C04 | H10 | H11 | 120.0° | 120.0° |
| C38 | C37 | C42 | C36 | 180.0° | 179.8° |
| C38 | C37 | C42 | C33 | 179.9° | 179.7° |
| C38 | C37 | C36 | C35 | 179.9° | 180.0° |
| C38 | C37 | C36 | H35 | 0.1° | 0.0° |
| C37 | C38 | C39 | H37 | 179.3° | 180.0° |
| O07 | C06 | N08 | O05 | 179.9° | 180.0° |
| O07 | C06 | N08 | C09 | 94.8° | 0.0° |
| O07 | C06 | O05 | C02 | 90.4° | 0.0° |
| O07 | C06 | N08 | H40 | 85.2° | 180.0° |
| C37 | C42 | C33 | C32 | 180.0° | 179.7° |
| C37 | C42 | C33 | C34 | 0.2° | 0.5° |
| C42 | C37 | C36 | C35 | 0.1° | 0.2° |
| C42 | C37 | C36 | H35 | 179.9° | 179.8° |
| C42 | C37 | C38 | H36 | 179.7° | 179.8° |
| C37 | C42 | C41 | H39 | 180.0° | 179.7° |
| C42 | C33 | C32 | C34 | 179.8° | 179.7° |
| C42 | C33 | C32 | C09 | 166.0° | 84.7° |
| C33 | C42 | C37 | C36 | 0.1° | 0.5° |
| C42 | C33 | C34 | C35 | 0.0° | 0.3° |
| C42 | C33 | C32 | H31 | 45.8° | 35.2° |
| C42 | C33 | C32 | H32 | 73.7° | 155.3° |
| C42 | C33 | C34 | H33 | 180.0° | 179.7° |
| C33 | C42 | C41 | H39 | 0.1° | 0.6° |
| C06 | N08 | C09 | H40 | 180.0° | 180.0° |
| C06 | N08 | C09 | C32 | 153.7° | 60.0° |
| N08 | C06 | O05 | C02 | 89.5° | 180.0° |
| C06 | N08 | C09 | C10 | 86.9° | 60.0° |
| C06 | N08 | C09 | H12 | 33.5° | 180.0° |
| C09 | N08 | C06 | O05 | 85.3° | 180.0° |
| N08 | C09 | C32 | C33 | 142.1° | 65.0° |
| N08 | C09 | C32 | C10 | 117.8° | 120.0° |
| N08 | C09 | C32 | H12 | 120.9° | 120.1° |
| N08 | C09 | C10 | H12 | 120.9° | 120.0° |
| N08 | C09 | C10 | S11 | 99.5° | 60.0° |
| N08 | C09 | C10 | H1 | 141.1° | 60.1° |
| N08 | C09 | C10 | H2 | 20.0° | 180.0° |
| N08 | C09 | C32 | H31 | 21.8° | 175.0° |
| N08 | C09 | C32 | H32 | 97.6° | 54.9° |
| C03 | C02 | O05 | C06 | 66.2° | 60.0° |
| C03 | C02 | O05 | C01 | 119.4° | 120.0° |
| C03 | C02 | C01 | H3 | 63.8° | 180.0° |
| C03 | C02 | C01 | H4 | 176.1° | 60.0° |
| C03 | C02 | C01 | H5 | 56.1° | 60.0° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H8 | 120.0° | 120.1° |
| C02 | C03 | H7 | H8 | 120.0° | 120.1° |
| C03 | C02 | C04 | H9 | 180.0° | 60.0° |
| C03 | C02 | C04 | H10 | 60.0° | 60.0° |
| C03 | C02 | C04 | H11 | 60.0° | 179.9° |
| C28 | C29 | N30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C28 | C29 | N30 | C31 | 0.6° | 0.3° |
| C29 | C28 | C27 | C26 | 0.3° | 0.0° |
| C29 | C28 | C27 | H27 | 179.7° | 180.0° |
| N30 | C29 | C28 | C27 | 0.8° | 0.0° |
| C29 | N30 | C31 | C26 | 0.1° | 0.6° |
| N30 | C29 | C28 | H28 | 179.2° | 180.0° |
| C29 | N30 | C31 | H30 | 179.9° | 179.7° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 0.3° | 0.2° |
| C28 | C27 | C26 | C25 | 179.7° | 180.0° |
| C27 | C28 | C29 | H29 | 179.2° | 180.0° |
| C06 | O05 | C02 | C01 | 174.4° | 60.0° |
| O05 | C06 | N08 | H40 | 94.7° | 0.0° |
| C33 | C32 | C09 | H31 | 120.3° | 120.0° |
| C33 | C32 | C09 | H32 | 120.3° | 119.9° |
| C33 | C32 | C09 | C10 | 100.1° | 175.0° |
| C32 | C33 | C34 | C35 | 179.9° | 180.0° |
| C33 | C32 | C09 | H12 | 21.2° | 55.1° |
| C33 | C32 | H31 | H32 | 119.1° | 120.0° |
| C32 | C33 | C34 | H33 | 0.2° | 0.0° |
| C09 | C32 | C33 | C34 | 13.8° | 95.0° |
| C32 | C09 | C10 | H12 | 121.2° | 120.0° |
| C32 | C09 | C10 | S11 | 18.4° | 180.0° |
| C32 | C09 | C10 | H1 | 101.0° | 60.0° |
| C32 | C09 | C10 | H2 | 137.8° | 60.0° |
| C09 | C32 | H31 | H32 | 119.2° | 120.0° |
| C32 | C09 | N08 | H40 | 26.3° | 120.0° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.2° | 0.1° |
| C37 | C36 | C35 | H34 | 179.8° | 180.0° |
| C36 | C37 | C38 | H36 | 0.3° | 0.0° |
| O05 | C02 | C01 | H3 | 57.3° | 60.0° |
| O05 | C02 | C01 | H4 | 62.7° | 180.0° |
| O05 | C02 | C01 | H5 | 177.3° | 60.0° |
| O05 | C02 | C03 | H6 | 59.6° | 60.1° |
| O05 | C02 | C03 | H7 | 179.6° | 180.0° |
| O05 | C02 | C03 | H8 | 60.4° | 60.0° |
| O05 | C02 | C04 | H9 | 59.6° | 60.0° |
| O05 | C02 | C04 | H10 | 60.4° | 180.0° |
| O05 | C02 | C04 | H11 | 179.5° | 60.0° |
| C02 | C01 | H3 | H4 | 120.0° | 119.9° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C01 | C02 | C03 | H6 | 61.2° | 59.9° |
| C01 | C02 | C03 | H7 | 58.8° | 60.0° |
| C01 | C02 | C03 | H8 | 178.8° | 180.0° |
| C01 | C02 | C04 | H9 | 62.9° | 180.0° |
| C01 | C02 | C04 | H10 | 177.1° | 60.0° |
| C01 | C02 | C04 | H11 | 57.0° | 60.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | H31 | 134.1° | 145.0° |
| C34 | C33 | C32 | H32 | 106.5° | 24.9° |
| C33 | C34 | C35 | H34 | 179.8° | 179.9° |
| C09 | C10 | S11 | H1 | 119.4° | 120.0° |
| C09 | C10 | S11 | H2 | 119.4° | 120.0° |
| C09 | C10 | S11 | C12 | 138.5° | 174.9° |
| C09 | C10 | H1 | H2 | 121.6° | 120.0° |
| C10 | C09 | C32 | H31 | 139.7° | 55.0° |
| C10 | C09 | C32 | H32 | 20.2° | 65.1° |
| C10 | C09 | N08 | H40 | 93.1° | 120.0° |
| N30 | C31 | C26 | C27 | 0.5° | 0.6° |
| N30 | C31 | C26 | H30 | 180.0° | 179.7° |
| N30 | C31 | C26 | C25 | 179.9° | 179.7° |
| C31 | N30 | C29 | H29 | 179.4° | 179.7° |
| C27 | C26 | C31 | C25 | 179.4° | 179.8° |
| C27 | C26 | C25 | C24 | 138.4° | 90.0° |
| C27 | C26 | C25 | H25 | 18.3° | 30.0° |
| C27 | C26 | C25 | H26 | 101.5° | 150.0° |
| C26 | C27 | C28 | H28 | 179.7° | 180.0° |
| C27 | C26 | C31 | H30 | 179.5° | 179.7° |
| C36 | C35 | C34 | H34 | 180.0° | 179.9° |
| C36 | C35 | C34 | H33 | 179.8° | 180.0° |
| C34 | C35 | C36 | H35 | 179.8° | 179.9° |
| C10 | S11 | C12 | C13 | 174.1° | 68.5° |
| C10 | S11 | C12 | C20 | 63.1° | 171.5° |
| S11 | C10 | H1 | H2 | 121.7° | 120.0° |
| S11 | C10 | C09 | H12 | 139.6° | 60.0° |
| C10 | S11 | C12 | H13 | 56.7° | 51.5° |
| S11 | C12 | C13 | C20 | 118.1° | 120.0° |
| S11 | C12 | C13 | H13 | 115.0° | 119.9° |
| S11 | C12 | C13 | C14 | 172.2° | 174.3° |
| S11 | C12 | C20 | H13 | 118.1° | 120.0° |
| S11 | C12 | C20 | N22 | 93.8° | 160.0° |
| S11 | C12 | C20 | O21 | 88.4° | 20.0° |
| C12 | S11 | C10 | H1 | 19.1° | 54.9° |
| C12 | S11 | C10 | H2 | 102.1° | 65.1° |
| S11 | C12 | C13 | H14 | 68.8° | 54.3° |
| S11 | C12 | C13 | H15 | 53.3° | 65.8° |
| C31 | C26 | C25 | C24 | 41.0° | 90.3° |
| C31 | C26 | C25 | H25 | 161.1° | 149.8° |
| C31 | C26 | C25 | H26 | 79.1° | 29.7° |
| C31 | C26 | C27 | H27 | 179.7° | 179.8° |
| C26 | C25 | C24 | H25 | 120.1° | 120.0° |
| C26 | C25 | C24 | H26 | 120.1° | 120.0° |
| C26 | C25 | C24 | C23 | 134.0° | 180.0° |
| C26 | C25 | C24 | H23 | 105.8° | 60.0° |
| C26 | C25 | C24 | H24 | 13.9° | 60.0° |
| C26 | C25 | H25 | H26 | 119.7° | 120.0° |
| C25 | C26 | C27 | H27 | 0.3° | 0.0° |
| C25 | C26 | C31 | H30 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 119.0° | 120.0° |
| C12 | C13 | C14 | H15 | 119.0° | 120.0° |
| C13 | C12 | C20 | H13 | 127.2° | 120.0° |
| C13 | C12 | C20 | N22 | 21.0° | 80.0° |
| C13 | C12 | C20 | O21 | 156.8° | 100.0° |
| C12 | C13 | C14 | C15 | 142.1° | 83.6° |
| C12 | C13 | C14 | C19 | 36.3° | 96.7° |
| C12 | C13 | H14 | H15 | 123.0° | 120.1° |
| C14 | C13 | C12 | C20 | 54.2° | 65.7° |
| C13 | C14 | C15 | C19 | 178.3° | 179.7° |
| C13 | C14 | C15 | C16 | 178.8° | 180.0° |
| C13 | C14 | C19 | C18 | 178.0° | 179.8° |
| C14 | C13 | C12 | H13 | 72.7° | 54.3° |
| C14 | C13 | H14 | H15 | 123.0° | 120.0° |
| C13 | C14 | C15 | H16 | 1.2° | 0.1° |
| C13 | C14 | C19 | H20 | 2.0° | 0.0° |
| C12 | C20 | N22 | O21 | 177.9° | 180.0° |
| C12 | C20 | N22 | C23 | 179.4° | 180.0° |
| C20 | C12 | C13 | H14 | 173.1° | 174.3° |
| C20 | C12 | C13 | H15 | 64.8° | 54.2° |
| C12 | C20 | N22 | H41 | 0.6° | 0.0° |
| C25 | C24 | C23 | N22 | 15.5° | 180.0° |
| C25 | C24 | C23 | H23 | 120.1° | 120.0° |
| C25 | C24 | C23 | H24 | 120.2° | 120.0° |
| C25 | C24 | C23 | H21 | 136.3° | 60.0° |
| C25 | C24 | C23 | H22 | 105.3° | 60.0° |
| C25 | C24 | H23 | H24 | 119.5° | 120.0° |
| C24 | C25 | H25 | H26 | 119.8° | 120.0° |
| C20 | N22 | C23 | H41 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 171.6° | 180.0° |
| N22 | C20 | C12 | H13 | 148.1° | 40.0° |
| C20 | N22 | C23 | H21 | 50.7° | 60.0° |
| C20 | N22 | C23 | H22 | 67.6° | 60.0° |
| C23 | N22 | C20 | O21 | 1.5° | 0.0° |
| N22 | C23 | C24 | H21 | 120.8° | 120.0° |
| N22 | C23 | C24 | H22 | 120.8° | 120.0° |
| N22 | C23 | H21 | H22 | 117.5° | 120.0° |
| N22 | C23 | C24 | H23 | 135.6° | 60.0° |
| N22 | C23 | C24 | H24 | 104.7° | 60.0° |
| O21 | C20 | C12 | H13 | 29.7° | 140.0° |
| O21 | C20 | N22 | H41 | 178.5° | 180.0° |
| C24 | C23 | H21 | H22 | 117.5° | 120.1° |
| C23 | C24 | H23 | H24 | 119.5° | 120.0° |
| C23 | C24 | C25 | H25 | 13.9° | 60.0° |
| C23 | C24 | C25 | H26 | 105.9° | 60.0° |
| C24 | C23 | N22 | H41 | 8.4° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C15 | C14 | C19 | C18 | 0.3° | 0.5° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C13 | H14 | 99.0° | 36.4° |
| C15 | C14 | C13 | H15 | 23.1° | 156.4° |
| C14 | C15 | C16 | H17 | 179.7° | 179.9° |
| C15 | C14 | C19 | H20 | 179.7° | 179.7° |
| C19 | C14 | C15 | C16 | 0.4° | 0.3° |
| C14 | C19 | C18 | H20 | 180.0° | 179.8° |
| C14 | C19 | C18 | C17 | 1.3° | 0.5° |
| C19 | C14 | C13 | H14 | 82.6° | 143.3° |
| C19 | C14 | C13 | H15 | 155.3° | 23.3° |
| C19 | C14 | C15 | H16 | 179.6° | 179.8° |
| C14 | C19 | C18 | H19 | 178.7° | 179.7° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C15 | C16 | C17 | H18 | 179.3° | 179.9° |
| C19 | C18 | C17 | C16 | 1.5° | 0.2° |
| C19 | C18 | C17 | H19 | 180.0° | 179.8° |
| C19 | C18 | C17 | H18 | 178.5° | 179.8° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | H16 | 179.8° | 180.0° |
| C16 | C17 | C18 | H19 | 178.5° | 180.0° |
| C18 | C17 | C16 | H17 | 179.3° | 180.0° |
| C17 | C18 | C19 | H20 | 178.7° | 179.7° |
| H1 | C10 | C09 | H12 | 20.1° | 179.9° |
| H2 | C10 | C09 | H12 | 101.0° | 60.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C03 | H7 | H8 | 120.0° | 120.0° |
| H9 | C04 | H10 | H11 | 120.0° | 120.0° |
| H12 | C09 | C32 | H31 | 99.1° | 64.9° |
| H12 | C09 | C32 | H32 | 141.5° | 175.0° |
| H12 | C09 | N08 | H40 | 146.5° | 0.0° |
| H13 | C12 | C13 | H14 | 46.2° | 65.7° |
| H13 | C12 | C13 | H15 | 168.3° | 174.3° |
| H16 | C15 | C16 | H17 | 0.3° | 0.0° |
| H17 | C16 | C17 | H18 | 0.7° | 0.0° |
| H18 | C17 | C18 | H19 | 1.5° | 0.0° |
| H19 | C18 | C19 | H20 | 1.3° | 0.1° |
| H21 | C23 | C24 | H23 | 103.6° | 59.9° |
| H21 | C23 | C24 | H24 | 16.2° | 180.0° |
| H21 | C23 | N22 | H41 | 129.3° | 120.0° |
| H22 | C23 | C24 | H23 | 14.8° | 180.0° |
| H22 | C23 | C24 | H24 | 134.5° | 59.9° |
| H22 | C23 | N22 | H41 | 112.4° | 120.0° |
| H23 | C24 | C25 | H25 | 134.1° | 180.0° |
| H23 | C24 | C25 | H26 | 14.3° | 60.0° |
| H24 | C24 | C25 | H25 | 106.2° | 60.0° |
| H24 | C24 | C25 | H26 | 134.0° | 180.0° |
| H27 | C27 | C28 | H28 | 0.4° | 0.0° |
| H28 | C28 | C29 | H29 | 0.8° | 0.0° |
| H33 | C34 | C35 | H34 | 0.2° | 0.1° |
| H34 | C35 | C36 | H35 | 0.2° | 0.0° |
| H36 | C38 | C39 | H37 | 0.7° | 0.0° |
| H37 | C39 | C40 | H38 | 0.7° | 0.1° |
| H38 | C40 | C41 | H39 | 0.4° | 0.1° |
