V9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C13 | doub | 1.39Å | 1.49Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.56Å | |
| C15 | N14 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | N38 | doub | 1.30Å | 1.42Å | Aromatic |
| C17 | C21 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | O37 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | N22 | sing | 1.47Å | 1.52Å | |
| C21 | N22 | sing | 1.47Å | 1.51Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.50Å | |
| C02 | C40 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.47Å | 1.51Å | |
| C07 | C08 | sing | 1.51Å | 1.58Å | |
| C07 | N06 | sing | 1.47Å | 1.49Å | |
| C08 | C09 | doub | 1.39Å | 1.47Å | Aromatic |
| C08 | C11 | sing | 1.37Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.47Å | Aromatic |
| C12 | N38 | sing | 1.36Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C23 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | N22 | sing | 1.39Å | 1.52Å | |
| C23 | N24 | sing | 1.33Å | 1.38Å | Aromatic |
| C25 | N24 | doub | 1.32Å | 1.40Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.41Å | Aromatic |
| C27 | C36 | sing | 1.39Å | 1.46Å | Aromatic |
| C27 | N26 | doub | 1.33Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.39Å | 1.52Å | |
| C29 | N28 | sing | 1.47Å | 1.57Å | |
| C30 | C31 | doub | 1.38Å | 1.44Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.45Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.44Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.45Å | Aromatic |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | N06 | sing | 1.47Å | 1.48Å | |
| C29 | C30 | sing | 1.51Å | 1.73Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| N14 | H40 | sing | 0.97Å | 1.00Å | |
| N28 | H41 | sing | 0.97Å | 1.00Å | |
| O37 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C10 | C09 | 119.0° | 119.7° |
| C10 | C13 | C12 | 120.3° | 119.9° |
| C10 | C13 | N14 | 132.0° | 134.1° |
| C13 | C10 | H1 | 120.5° | 120.1° |
| C10 | C09 | C08 | 120.1° | 120.4° |
| C09 | C10 | H1 | 120.5° | 120.2° |
| C10 | C09 | H18 | 119.9° | 119.8° |
| C12 | C13 | N14 | 107.8° | 106.0° |
| C13 | C12 | C11 | 120.9° | 119.5° |
| C13 | C12 | N38 | 106.5° | 107.0° |
| C13 | N14 | C15 | 109.2° | 107.3° |
| C13 | N14 | H40 | 125.4° | 126.3° |
| C16 | C15 | N14 | 126.1° | 124.9° |
| C16 | C15 | N38 | 126.2° | 125.0° |
| C15 | C16 | C17 | 115.3° | 109.4° |
| C15 | C16 | H20 | 108.0° | 109.5° |
| C15 | C16 | H21 | 108.0° | 109.5° |
| N14 | C15 | N38 | 107.7° | 110.1° |
| C15 | N14 | H40 | 125.4° | 126.4° |
| C15 | N38 | C12 | 108.9° | 109.6° |
| C21 | C17 | C16 | 118.7° | 109.5° |
| C21 | C17 | C18 | 107.0° | 109.3° |
| C21 | C17 | O37 | 105.7° | 109.5° |
| C17 | C21 | N22 | 114.4° | 109.5° |
| C17 | C21 | H4 | 108.2° | 109.5° |
| C17 | C21 | H5 | 108.2° | 109.4° |
| C16 | C17 | C18 | 109.9° | 109.5° |
| C16 | C17 | O37 | 108.3° | 109.5° |
| C17 | C16 | H20 | 108.0° | 109.5° |
| C17 | C16 | H21 | 108.0° | 109.5° |
| C18 | C17 | O37 | 106.7° | 109.6° |
| C17 | C18 | C19 | 115.0° | 109.1° |
| C17 | C18 | H22 | 108.1° | 109.6° |
| C17 | C18 | H23 | 108.1° | 109.6° |
| C17 | O37 | H43 | 109.5° | 114.0° |
| C19 | C20 | N22 | 114.5° | 109.5° |
| C20 | C19 | C18 | 113.9° | 109.3° |
| C19 | C20 | H2 | 108.2° | 109.4° |
| C19 | C20 | H3 | 108.2° | 109.5° |
| C20 | C19 | H24 | 108.3° | 109.5° |
| C20 | C19 | H25 | 108.3° | 109.5° |
| C20 | N22 | C21 | 110.2° | 111.2° |
| C20 | N22 | C23 | 123.0° | 111.0° |
| N22 | C20 | H2 | 108.2° | 109.5° |
| N22 | C20 | H3 | 108.2° | 109.5° |
| C21 | N22 | C23 | 126.9° | 111.0° |
| N22 | C21 | H4 | 108.3° | 109.5° |
| N22 | C21 | H5 | 108.3° | 109.5° |
| C01 | C02 | C03 | 112.4° | 109.5° |
| C01 | C02 | C04 | 107.8° | 109.5° |
| C01 | C02 | C40 | 109.4° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C03 | C02 | C04 | 107.4° | 109.5° |
| C03 | C02 | C40 | 108.9° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.4° |
| C04 | C02 | C40 | 111.0° | 109.2° |
| C02 | C04 | C05 | 110.7° | 109.3° |
| C02 | C04 | H12 | 109.1° | 109.5° |
| C02 | C04 | H13 | 109.2° | 109.5° |
| C02 | C40 | C39 | 113.5° | 109.3° |
| C02 | C40 | H37 | 108.5° | 109.5° |
| C02 | C40 | H38 | 108.5° | 109.5° |
| C04 | C05 | N06 | 109.5° | 109.5° |
| C05 | C04 | H12 | 109.2° | 109.5° |
| C05 | C04 | H13 | 109.1° | 109.5° |
| C04 | C05 | H14 | 109.5° | 109.5° |
| C04 | C05 | H15 | 109.5° | 109.5° |
| C05 | N06 | C07 | 107.0° | 111.0° |
| C05 | N06 | C39 | 111.6° | 111.2° |
| N06 | C05 | H14 | 109.4° | 109.5° |
| N06 | C05 | H15 | 109.5° | 109.4° |
| C08 | C07 | N06 | 106.1° | 109.5° |
| C07 | C08 | C09 | 122.1° | 119.7° |
| C07 | C08 | C11 | 118.3° | 119.6° |
| C08 | C07 | H16 | 110.3° | 109.5° |
| C08 | C07 | H17 | 110.3° | 109.5° |
| C07 | N06 | C39 | 110.1° | 111.0° |
| N06 | C07 | H16 | 110.3° | 109.4° |
| N06 | C07 | H17 | 110.3° | 109.4° |
| C09 | C08 | C11 | 119.5° | 120.7° |
| C08 | C09 | H18 | 119.9° | 119.8° |
| C08 | C11 | C12 | 120.2° | 119.8° |
| C08 | C11 | H19 | 119.9° | 120.1° |
| C11 | C12 | N38 | 132.6° | 133.6° |
| C12 | C11 | H19 | 119.9° | 120.1° |
| C19 | C18 | H22 | 108.1° | 109.5° |
| C19 | C18 | H23 | 108.1° | 109.5° |
| C18 | C19 | H24 | 108.4° | 109.6° |
| C18 | C19 | H25 | 108.4° | 109.5° |
| C36 | C23 | N22 | 118.6° | 120.5° |
| C36 | C23 | N24 | 120.5° | 119.0° |
| C23 | C36 | C27 | 120.7° | 118.3° |
| C23 | C36 | H34 | 119.7° | 120.8° |
| N22 | C23 | N24 | 120.9° | 120.5° |
| C23 | N24 | C25 | 119.1° | 120.9° |
| N24 | C25 | N26 | 121.5° | 121.9° |
| N24 | C25 | H26 | 119.3° | 119.0° |
| C25 | N26 | C27 | 121.6° | 120.9° |
| N26 | C25 | H26 | 119.2° | 119.0° |
| C36 | C27 | N26 | 116.6° | 119.0° |
| C36 | C27 | N28 | 121.6° | 120.5° |
| C27 | C36 | H34 | 119.7° | 120.9° |
| N26 | C27 | N28 | 121.8° | 120.5° |
| C27 | N28 | C29 | 130.3° | 120.0° |
| C27 | N28 | H41 | 104.1° | 120.0° |
| N28 | C29 | C30 | 119.8° | 109.5° |
| N28 | C29 | H27 | 106.8° | 109.4° |
| N28 | C29 | H28 | 106.8° | 109.5° |
| C29 | N28 | H41 | 104.0° | 120.0° |
| C31 | C30 | C35 | 118.1° | 120.0° |
| C30 | C31 | C32 | 121.6° | 120.0° |
| C31 | C30 | C29 | 120.6° | 120.0° |
| C30 | C31 | H29 | 119.2° | 120.0° |
| C30 | C35 | C34 | 120.5° | 120.0° |
| C35 | C30 | C29 | 121.3° | 120.0° |
| C30 | C35 | H33 | 119.8° | 120.0° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C32 | C31 | H29 | 119.2° | 120.0° |
| C31 | C32 | H30 | 120.0° | 120.0° |
| C32 | C33 | C34 | 118.8° | 120.0° |
| C33 | C32 | H30 | 120.0° | 120.0° |
| C32 | C33 | H31 | 120.6° | 120.0° |
| C33 | C34 | C35 | 121.0° | 120.0° |
| C34 | C33 | H31 | 120.6° | 120.0° |
| C33 | C34 | H32 | 119.5° | 120.0° |
| C35 | C34 | H32 | 119.5° | 120.0° |
| C34 | C35 | H33 | 119.7° | 120.0° |
| C40 | C39 | N06 | 106.7° | 109.5° |
| C40 | C39 | H35 | 110.1° | 109.5° |
| C40 | C39 | H36 | 110.2° | 109.4° |
| C39 | C40 | H37 | 108.4° | 109.5° |
| C39 | C40 | H38 | 108.4° | 109.5° |
| N06 | C39 | H35 | 110.2° | 109.5° |
| N06 | C39 | H36 | 110.2° | 109.4° |
| C30 | C29 | H27 | 106.8° | 109.5° |
| C30 | C29 | H28 | 106.8° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 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 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.4° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H14 | C05 | H15 | 109.5° | 109.4° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.6° |
| H24 | C19 | H25 | 109.5° | 109.6° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H35 | C39 | H36 | 109.5° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C10 | C09 | H1 | 180.0° | 179.8° |
| C10 | C13 | C12 | N14 | 179.7° | 180.0° |
| C10 | C13 | N14 | C15 | 179.6° | 180.0° |
| C13 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C13 | C12 | C11 | 0.2° | 0.0° |
| C10 | C13 | C12 | N38 | 179.5° | 180.0° |
| C13 | C10 | C09 | H18 | 179.9° | 179.9° |
| C10 | C13 | N14 | H40 | 0.5° | 0.0° |
| C09 | C10 | C13 | C12 | 0.0° | 0.0° |
| C09 | C10 | C13 | N14 | 179.6° | 180.0° |
| C10 | C09 | C08 | C07 | 177.9° | 180.0° |
| C10 | C09 | C08 | H18 | 180.0° | 179.9° |
| C10 | C09 | C08 | C11 | 0.4° | 0.1° |
| C12 | C13 | N14 | C15 | 0.0° | 0.0° |
| C13 | C12 | N38 | C15 | 0.1° | 0.0° |
| C13 | C12 | C11 | C08 | 0.5° | 0.0° |
| C13 | C12 | C11 | N38 | 179.6° | 179.9° |
| C12 | C13 | C10 | H1 | 180.0° | 179.8° |
| C13 | C12 | C11 | H19 | 179.5° | 180.0° |
| C12 | C13 | N14 | H40 | 179.9° | 180.0° |
| C13 | N14 | C15 | C16 | 179.9° | 180.0° |
| C13 | N14 | C15 | H40 | 180.0° | 180.0° |
| C13 | N14 | C15 | N38 | 0.0° | 0.0° |
| N14 | C13 | C12 | C11 | 179.8° | 180.0° |
| N14 | C13 | C12 | N38 | 0.1° | 0.0° |
| N14 | C13 | C10 | H1 | 0.4° | 0.3° |
| C16 | C15 | N14 | N38 | 179.9° | 179.9° |
| C15 | C16 | C17 | C21 | 72.2° | 175.0° |
| C15 | C16 | C17 | H20 | 120.9° | 120.0° |
| C15 | C16 | C17 | H21 | 120.8° | 120.0° |
| C15 | C16 | C17 | C18 | 51.2° | 55.2° |
| C15 | C16 | C17 | O37 | 167.4° | 64.9° |
| C16 | C15 | N38 | C12 | 179.8° | 179.9° |
| C15 | C16 | H20 | H21 | 117.4° | 120.1° |
| C16 | C15 | N14 | H40 | 0.1° | 0.1° |
| N14 | C15 | C16 | C17 | 83.0° | 125.1° |
| N14 | C15 | N38 | C12 | 0.1° | 0.0° |
| N14 | C15 | C16 | H20 | 37.9° | 115.0° |
| N14 | C15 | C16 | H21 | 156.2° | 5.1° |
| N38 | C15 | C16 | C17 | 97.1° | 55.0° |
| C15 | N38 | C12 | C11 | 179.8° | 180.0° |
| N38 | C15 | C16 | H20 | 142.0° | 64.9° |
| N38 | C15 | C16 | H21 | 23.7° | 175.0° |
| N38 | C15 | N14 | H40 | 180.0° | 180.0° |
| C21 | C17 | C16 | C18 | 123.4° | 119.8° |
| C21 | C17 | C16 | O37 | 120.4° | 120.0° |
| C21 | C17 | C18 | O37 | 112.8° | 120.0° |
| C17 | C21 | N22 | C20 | 57.6° | 61.7° |
| C17 | C21 | N22 | H4 | 120.7° | 120.0° |
| C17 | C21 | N22 | H5 | 120.7° | 120.0° |
| C21 | C17 | C18 | C19 | 53.0° | 57.7° |
| C17 | C21 | N22 | C23 | 122.3° | 174.2° |
| C17 | C21 | H4 | H5 | 117.8° | 119.9° |
| C21 | C17 | C16 | H20 | 166.9° | 65.0° |
| C21 | C17 | C16 | H21 | 48.7° | 55.0° |
| C21 | C17 | C18 | H22 | 67.8° | 62.2° |
| C21 | C17 | C18 | H23 | 173.8° | 177.6° |
| C21 | C17 | O37 | H43 | 180.0° | 180.0° |
| C16 | C17 | C18 | O37 | 117.2° | 120.1° |
| C16 | C17 | C21 | N22 | 175.2° | 179.1° |
| C16 | C17 | C18 | C19 | 176.9° | 177.6° |
| C16 | C17 | C21 | H4 | 54.5° | 60.8° |
| C16 | C17 | C21 | H5 | 64.1° | 59.1° |
| C17 | C16 | H20 | H21 | 117.3° | 120.0° |
| C16 | C17 | C18 | H22 | 62.3° | 57.7° |
| C16 | C17 | C18 | H23 | 56.1° | 62.5° |
| C16 | C17 | O37 | H43 | 51.9° | 60.0° |
| C17 | C18 | C19 | C20 | 46.5° | 57.7° |
| C18 | C17 | C21 | N22 | 59.9° | 59.2° |
| C17 | C18 | C19 | H22 | 120.8° | 119.9° |
| C17 | C18 | C19 | H23 | 120.8° | 119.9° |
| C18 | C17 | C21 | H4 | 179.3° | 179.2° |
| C18 | C17 | C21 | H5 | 60.8° | 60.8° |
| C18 | C17 | C16 | H20 | 69.6° | 175.2° |
| C18 | C17 | C16 | H21 | 172.1° | 64.8° |
| C17 | C18 | H22 | H23 | 117.5° | 120.2° |
| C17 | C18 | C19 | H24 | 74.1° | 62.3° |
| C17 | C18 | C19 | H25 | 167.2° | 177.6° |
| C18 | C17 | O37 | H43 | 66.3° | 60.1° |
| O37 | C17 | C21 | N22 | 53.5° | 60.9° |
| O37 | C17 | C18 | C19 | 59.8° | 62.3° |
| O37 | C17 | C21 | H4 | 67.2° | 59.2° |
| O37 | C17 | C21 | H5 | 174.3° | 179.2° |
| O37 | C17 | C16 | H20 | 46.5° | 55.0° |
| O37 | C17 | C16 | H21 | 71.8° | 175.0° |
| O37 | C17 | C18 | H22 | 179.4° | 177.8° |
| O37 | C17 | C18 | H23 | 61.1° | 57.6° |
| C19 | C20 | N22 | H2 | 120.8° | 120.0° |
| C19 | C20 | N22 | H3 | 120.7° | 120.0° |
| C19 | C20 | N22 | C21 | 47.0° | 61.7° |
| C20 | C19 | C18 | H24 | 120.6° | 119.9° |
| C20 | C19 | C18 | H25 | 120.7° | 119.9° |
| C19 | C20 | N22 | C23 | 132.9° | 174.2° |
| C19 | C20 | H2 | H3 | 117.7° | 120.0° |
| C20 | C19 | C18 | H22 | 74.3° | 62.3° |
| C20 | C19 | C18 | H23 | 167.4° | 177.6° |
| C20 | C19 | H24 | H25 | 117.9° | 120.1° |
| C20 | N22 | C21 | C23 | 179.9° | 124.1° |
| N22 | C20 | C19 | C18 | 42.2° | 59.2° |
| C20 | N22 | C23 | C36 | 44.1° | 56.1° |
| C20 | N22 | C23 | N24 | 135.2° | 123.7° |
| N22 | C20 | H2 | H3 | 117.7° | 120.0° |
| C20 | N22 | C21 | H4 | 178.3° | 178.3° |
| C20 | N22 | C21 | H5 | 63.1° | 58.2° |
| N22 | C20 | C19 | H24 | 78.5° | 60.8° |
| N22 | C20 | C19 | H25 | 162.9° | 179.1° |
| C21 | N22 | C23 | C36 | 136.0° | 179.7° |
| C21 | N22 | C23 | N24 | 44.7° | 0.5° |
| C21 | N22 | C20 | H2 | 73.8° | 58.2° |
| C21 | N22 | C20 | H3 | 167.7° | 178.3° |
| N22 | C21 | H4 | H5 | 117.8° | 120.0° |
| C01 | C02 | C03 | C04 | 118.3° | 120.1° |
| C01 | C02 | C03 | C40 | 121.4° | 120.1° |
| C01 | C02 | C04 | C40 | 119.8° | 120.0° |
| C01 | C02 | C04 | C05 | 172.0° | 177.5° |
| C01 | C02 | C40 | C39 | 171.1° | 177.5° |
| C02 | C01 | H6 | H7 | 120.0° | 120.1° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.1° |
| C01 | C02 | C03 | H9 | 180.0° | 60.0° |
| C01 | C02 | C03 | H10 | 60.0° | 179.9° |
| C01 | C02 | C03 | H11 | 60.0° | 60.0° |
| C01 | C02 | C04 | H12 | 67.8° | 62.5° |
| C01 | C02 | C04 | H13 | 51.8° | 57.7° |
| C01 | C02 | C40 | H37 | 50.5° | 57.6° |
| C01 | C02 | C40 | H38 | 68.3° | 62.5° |
| C03 | C02 | C04 | C40 | 118.9° | 119.9° |
| C03 | C02 | C04 | C05 | 66.7° | 62.3° |
| C03 | C02 | C40 | C39 | 65.7° | 62.3° |
| C03 | C02 | C01 | H6 | 180.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| 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 | 53.4° | 57.7° |
| C03 | C02 | C04 | H13 | 173.1° | 177.8° |
| C03 | C02 | C40 | H37 | 173.7° | 177.7° |
| C03 | C02 | C40 | H38 | 54.8° | 57.7° |
| C02 | C04 | C05 | H12 | 120.2° | 120.0° |
| C02 | C04 | C05 | H13 | 120.2° | 119.9° |
| C02 | C04 | C05 | N06 | 57.9° | 59.2° |
| C04 | C02 | C40 | C39 | 52.3° | 57.6° |
| C04 | C02 | C01 | H6 | 61.8° | 179.9° |
| C04 | C02 | C01 | H7 | 58.1° | 59.9° |
| C04 | C02 | C01 | H8 | 178.1° | 60.1° |
| C04 | C02 | C03 | H9 | 61.7° | 60.1° |
| C04 | C02 | C03 | H10 | 178.3° | 59.9° |
| C04 | C02 | C03 | H11 | 58.3° | 179.9° |
| C02 | C04 | H12 | H13 | 119.5° | 120.1° |
| C02 | C04 | C05 | H14 | 62.1° | 60.9° |
| C02 | C04 | C05 | H15 | 177.9° | 179.1° |
| C04 | C02 | C40 | H37 | 68.3° | 62.4° |
| C04 | C02 | C40 | H38 | 172.9° | 177.6° |
| C40 | C02 | C04 | C05 | 52.2° | 57.6° |
| C02 | C40 | C39 | H37 | 120.6° | 119.9° |
| C02 | C40 | C39 | H38 | 120.6° | 120.0° |
| C02 | C40 | C39 | N06 | 55.3° | 59.1° |
| C40 | C02 | C01 | H6 | 59.0° | 60.1° |
| C40 | C02 | C01 | H7 | 178.9° | 59.9° |
| C40 | C02 | C01 | H8 | 61.1° | 179.9° |
| C40 | C02 | C03 | H9 | 58.6° | 179.9° |
| C40 | C02 | C03 | H10 | 61.4° | 59.8° |
| C40 | C02 | C03 | H11 | 178.6° | 60.1° |
| C40 | C02 | C04 | H12 | 172.4° | 177.6° |
| C40 | C02 | C04 | H13 | 68.0° | 62.3° |
| C02 | C40 | C39 | H35 | 174.9° | 179.2° |
| C02 | C40 | C39 | H36 | 64.2° | 60.9° |
| C02 | C40 | H37 | H38 | 118.2° | 120.1° |
| C04 | C05 | N06 | H14 | 120.0° | 120.1° |
| C04 | C05 | N06 | H15 | 120.0° | 120.0° |
| C04 | C05 | N06 | C07 | 175.3° | 174.2° |
| C04 | C05 | N06 | C39 | 64.2° | 61.8° |
| C05 | C04 | H12 | H13 | 119.4° | 120.1° |
| C04 | C05 | H14 | H15 | 120.0° | 120.0° |
| C05 | N06 | C07 | C08 | 48.2° | 170.0° |
| C05 | N06 | C07 | C39 | 121.4° | 124.2° |
| C05 | N06 | C39 | C40 | 61.1° | 61.7° |
| N06 | C05 | C04 | H12 | 178.0° | 179.2° |
| N06 | C05 | C04 | H13 | 62.3° | 60.7° |
| N06 | C05 | H14 | H15 | 120.0° | 119.9° |
| C05 | N06 | C07 | H16 | 71.3° | 50.0° |
| C05 | N06 | C07 | H17 | 167.7° | 70.0° |
| C05 | N06 | C39 | H35 | 179.4° | 178.2° |
| C05 | N06 | C39 | H36 | 58.5° | 58.2° |
| C08 | C07 | N06 | H16 | 119.5° | 120.1° |
| C08 | C07 | N06 | H17 | 119.5° | 120.0° |
| C07 | C08 | C09 | C11 | 177.5° | 179.9° |
| C07 | C08 | C11 | C12 | 178.1° | 180.0° |
| C08 | C07 | N06 | C39 | 169.7° | 65.8° |
| C08 | C07 | H16 | H17 | 121.6° | 120.0° |
| C07 | C08 | C09 | H18 | 2.1° | 0.1° |
| C07 | C08 | C11 | H19 | 1.9° | 0.0° |
| N06 | C07 | C08 | C09 | 112.5° | 89.9° |
| N06 | C07 | C08 | C11 | 65.0° | 90.0° |
| C07 | N06 | C39 | C40 | 179.8° | 174.2° |
| C07 | N06 | C05 | H14 | 64.7° | 65.8° |
| C07 | N06 | C05 | H15 | 55.3° | 54.1° |
| N06 | C07 | H16 | H17 | 121.5° | 119.9° |
| C07 | N06 | C39 | H35 | 60.7° | 54.1° |
| C07 | N06 | C39 | H36 | 60.2° | 65.9° |
| C09 | C08 | C11 | C12 | 0.5° | 0.0° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C07 | H16 | 7.0° | 150.0° |
| C09 | C08 | C07 | H17 | 128.1° | 30.0° |
| C09 | C08 | C11 | H19 | 179.5° | 179.9° |
| C08 | C11 | C12 | H19 | 180.0° | 180.0° |
| C08 | C11 | C12 | N38 | 179.2° | 179.9° |
| C11 | C08 | C07 | H16 | 175.5° | 30.0° |
| C11 | C08 | C07 | H17 | 54.4° | 150.0° |
| C11 | C08 | C09 | H18 | 179.6° | 180.0° |
| N38 | C12 | C11 | H19 | 0.8° | 0.1° |
| C18 | C19 | C20 | H2 | 78.6° | 60.8° |
| C18 | C19 | C20 | H3 | 163.0° | 179.2° |
| C19 | C18 | H22 | H23 | 117.5° | 120.1° |
| C18 | C19 | H24 | H25 | 118.0° | 120.1° |
| C36 | C23 | N22 | N24 | 179.3° | 179.8° |
| C36 | C23 | N24 | C25 | 0.4° | 0.1° |
| C23 | C36 | C27 | H34 | 180.0° | 180.0° |
| C23 | C36 | C27 | N26 | 0.3° | 0.5° |
| C23 | C36 | C27 | N28 | 179.8° | 180.0° |
| N22 | C23 | N24 | C25 | 179.8° | 179.7° |
| N22 | C23 | C36 | C27 | 179.8° | 180.0° |
| C23 | N22 | C20 | H2 | 106.3° | 65.9° |
| C23 | N22 | C20 | H3 | 12.2° | 54.2° |
| C23 | N22 | C21 | H4 | 1.6° | 54.1° |
| C23 | N22 | C21 | H5 | 117.0° | 65.9° |
| N22 | C23 | C36 | H34 | 0.2° | 0.0° |
| C23 | N24 | C25 | N26 | 0.3° | 0.0° |
| N24 | C23 | C36 | C27 | 0.5° | 0.2° |
| C23 | N24 | C25 | H26 | 179.7° | 180.0° |
| N24 | C23 | C36 | H34 | 179.5° | 179.8° |
| N24 | C25 | N26 | H26 | 180.0° | 180.0° |
| N24 | C25 | N26 | C27 | 0.2° | 0.3° |
| C25 | N26 | C27 | C36 | 0.2° | 0.6° |
| C25 | N26 | C27 | N28 | 179.7° | 179.9° |
| C36 | C27 | N26 | N28 | 179.5° | 179.5° |
| C36 | C27 | N28 | C29 | 27.0° | 0.0° |
| C36 | C27 | N28 | H41 | 149.7° | 180.0° |
| N26 | C27 | N28 | C29 | 152.4° | 179.5° |
| C27 | N26 | C25 | H26 | 179.8° | 179.7° |
| N26 | C27 | C36 | H34 | 179.7° | 179.5° |
| N26 | C27 | N28 | H41 | 29.8° | 0.5° |
| C27 | N28 | C29 | H41 | 122.7° | 180.0° |
| C27 | N28 | C29 | C30 | 50.9° | 180.0° |
| C27 | N28 | C29 | H27 | 172.3° | 60.0° |
| C27 | N28 | C29 | H28 | 70.6° | 60.0° |
| N28 | C27 | C36 | H34 | 0.2° | 0.0° |
| N28 | C29 | C30 | C31 | 29.3° | 90.0° |
| N28 | C29 | C30 | C35 | 150.8° | 90.3° |
| N28 | C29 | C30 | H27 | 121.5° | 120.0° |
| N28 | C29 | C30 | H28 | 121.4° | 120.0° |
| N28 | C29 | H27 | H28 | 115.3° | 120.0° |
| C31 | C30 | C35 | C29 | 179.9° | 179.7° |
| C30 | C31 | C32 | H29 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C30 | C35 | C34 | 0.1° | 0.6° |
| C31 | C30 | C29 | H27 | 92.2° | 150.0° |
| C31 | C30 | C29 | H28 | 150.7° | 30.0° |
| C30 | C31 | C32 | H30 | 179.9° | 180.0° |
| C31 | C30 | C35 | H33 | 179.9° | 179.7° |
| C35 | C30 | C31 | C32 | 0.2° | 0.3° |
| C30 | C35 | C34 | C33 | 0.1° | 0.5° |
| C30 | C35 | C34 | H33 | 180.0° | 179.7° |
| C35 | C30 | C29 | H27 | 87.7° | 29.7° |
| C35 | C30 | C29 | H28 | 29.4° | 149.7° |
| C35 | C30 | C31 | H29 | 179.8° | 179.7° |
| C30 | C35 | C34 | H32 | 180.0° | 179.7° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | C29 | 179.9° | 180.0° |
| C31 | C32 | C33 | H31 | 179.9° | 180.0° |
| C32 | C33 | C34 | H31 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.3° |
| C33 | C32 | C31 | H29 | 179.8° | 180.0° |
| C32 | C33 | C34 | H32 | 180.0° | 180.0° |
| C33 | C34 | C35 | H32 | 180.0° | 179.8° |
| C34 | C33 | C32 | H30 | 180.0° | 180.0° |
| C33 | C34 | C35 | H33 | 179.9° | 179.8° |
| C34 | C35 | C30 | C29 | 180.0° | 179.8° |
| C35 | C34 | C33 | H31 | 180.0° | 179.8° |
| C40 | C39 | N06 | H35 | 119.5° | 120.1° |
| C40 | C39 | N06 | H36 | 119.6° | 120.0° |
| C40 | C39 | H35 | H36 | 121.3° | 120.0° |
| C39 | C40 | H37 | H38 | 118.1° | 120.1° |
| C39 | N06 | C05 | H14 | 55.8° | 58.3° |
| C39 | N06 | C05 | H15 | 175.8° | 178.2° |
| C39 | N06 | C07 | H16 | 50.2° | 174.2° |
| C39 | N06 | C07 | H17 | 70.9° | 54.2° |
| N06 | C39 | H35 | H36 | 121.3° | 120.0° |
| N06 | C39 | C40 | H37 | 65.3° | 60.8° |
| N06 | C39 | C40 | H38 | 175.9° | 179.1° |
| C30 | C29 | H27 | H28 | 115.3° | 120.0° |
| C29 | C30 | C31 | H29 | 0.1° | 0.0° |
| C29 | C30 | C35 | H33 | 0.0° | 0.1° |
| C30 | C29 | N28 | H41 | 71.9° | 0.0° |
| H1 | C10 | C09 | H18 | 0.1° | 0.2° |
| H2 | C20 | C19 | H24 | 160.8° | 179.2° |
| H2 | C20 | C19 | H25 | 42.1° | 59.1° |
| H3 | C20 | C19 | H24 | 42.3° | 59.2° |
| H3 | C20 | C19 | H25 | 76.4° | 60.9° |
| H6 | C01 | H7 | H8 | 120.0° | 119.9° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
| H12 | C04 | C05 | H14 | 58.0° | 59.1° |
| H12 | C04 | C05 | H15 | 62.0° | 60.9° |
| H13 | C04 | C05 | H14 | 177.7° | 179.2° |
| H13 | C04 | C05 | H15 | 57.7° | 59.2° |
| H22 | C18 | C19 | H24 | 165.1° | 177.8° |
| H22 | C18 | C19 | H25 | 46.4° | 57.6° |
| H23 | C18 | C19 | H24 | 46.7° | 57.7° |
| H23 | C18 | C19 | H25 | 72.0° | 62.5° |
| H27 | C29 | N28 | H41 | 49.6° | 120.0° |
| H28 | C29 | N28 | H41 | 166.7° | 120.0° |
| H29 | C31 | C32 | H30 | 0.1° | 0.0° |
| H30 | C32 | C33 | H31 | 0.1° | 0.1° |
| H31 | C33 | C34 | H32 | 0.0° | 0.0° |
| H32 | C34 | C35 | H33 | 0.1° | 0.0° |
| H35 | C39 | C40 | H37 | 54.3° | 59.3° |
| H35 | C39 | C40 | H38 | 64.5° | 60.8° |
| H36 | C39 | C40 | H37 | 175.2° | 179.2° |
| H36 | C39 | C40 | H38 | 56.3° | 59.1° |
