FHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C05 | doub | 1.41Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | N11 | sing | 1.37Å | 1.37Å | Aromatic |
| N12 | C13 | sing | 1.46Å | 1.42Å | |
| N12 | C02 | sing | 1.35Å | 1.48Å | |
| C13 | C21 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.59Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.35Å | 1.45Å | |
| C21 | O33 | doub | 1.21Å | 1.18Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.64Å | |
| C26 | C25 | sing | 1.55Å | 1.21Å | |
| C02 | C03 | sing | 1.47Å | 1.55Å | |
| C02 | O01 | doub | 1.22Å | 1.17Å | |
| C03 | C04 | doub | 1.36Å | 1.38Å | Aromatic |
| C03 | N11 | sing | 1.38Å | 1.33Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C23 | C31 | sing | 1.51Å | 1.53Å | |
| C23 | N22 | sing | 1.46Å | 1.48Å | |
| C25 | C29 | sing | 1.51Å | 1.61Å | |
| C27 | N28 | sing | 1.47Å | 1.27Å | |
| C29 | N28 | sing | 1.34Å | 1.54Å | |
| C29 | O30 | doub | 1.21Å | 1.17Å | |
| C31 | O32 | doub | 1.21Å | 1.18Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N22 | H33 | sing | 0.97Å | 1.00Å | |
| N28 | H34 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.55Å | 1.71Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C10 | C09 | 120.5° | 119.4° |
| C05 | C10 | N11 | 108.4° | 107.4° |
| C10 | C05 | C04 | 106.5° | 107.0° |
| C10 | C05 | C06 | 119.8° | 119.7° |
| C09 | C10 | N11 | 131.1° | 133.2° |
| C10 | C09 | C08 | 119.6° | 119.8° |
| C10 | C09 | H17 | 120.2° | 120.1° |
| C10 | N11 | C03 | 109.8° | 108.8° |
| C10 | N11 | H32 | 125.1° | 125.6° |
| C13 | N12 | C02 | 118.1° | 120.0° |
| N12 | C13 | C21 | 112.4° | 109.5° |
| N12 | C13 | C14 | 109.9° | 109.4° |
| C13 | N12 | H1 | 120.9° | 120.0° |
| N12 | C13 | H2 | 109.8° | 109.5° |
| N12 | C02 | C03 | 118.6° | 120.0° |
| N12 | C02 | O01 | 120.7° | 120.0° |
| C02 | N12 | H1 | 121.0° | 120.0° |
| C21 | C13 | C14 | 108.2° | 109.4° |
| C13 | C21 | N22 | 114.9° | 120.0° |
| C13 | C21 | O33 | 121.7° | 120.0° |
| C21 | C13 | H2 | 108.4° | 109.5° |
| C13 | C14 | C15 | 112.6° | 109.5° |
| C14 | C13 | H2 | 108.0° | 109.5° |
| C13 | C14 | H18 | 108.7° | 109.5° |
| C13 | C14 | H19 | 108.7° | 109.5° |
| C20 | C15 | C14 | 109.8° | 109.5° |
| C20 | C15 | C16 | 110.6° | 109.5° |
| C15 | C20 | C19 | 110.6° | 109.5° |
| C20 | C15 | H3 | 109.7° | 109.5° |
| C15 | C20 | H6 | 109.2° | 109.5° |
| C15 | C20 | H7 | 109.2° | 109.5° |
| C14 | C15 | C16 | 108.2° | 109.5° |
| C14 | C15 | H3 | 108.9° | 109.4° |
| C15 | C14 | H18 | 108.7° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.5° |
| C15 | C16 | C17 | 111.5° | 109.5° |
| C16 | C15 | H3 | 109.7° | 109.5° |
| C15 | C16 | H20 | 109.0° | 109.5° |
| C15 | C16 | H21 | 109.0° | 109.5° |
| C16 | C17 | C18 | 111.7° | 109.5° |
| C16 | C17 | H4 | 108.9° | 109.5° |
| C16 | C17 | H5 | 108.9° | 109.5° |
| C17 | C16 | H20 | 109.0° | 109.4° |
| C17 | C16 | H21 | 109.0° | 109.5° |
| C17 | C18 | C19 | 112.2° | 109.4° |
| C18 | C17 | H4 | 108.9° | 109.5° |
| C18 | C17 | H5 | 108.9° | 109.4° |
| C17 | C18 | H22 | 108.8° | 109.5° |
| C17 | C18 | H23 | 108.8° | 109.5° |
| C20 | C19 | C18 | 111.4° | 109.5° |
| C19 | C20 | H6 | 109.2° | 109.5° |
| C19 | C20 | H7 | 109.2° | 109.5° |
| C20 | C19 | H24 | 109.0° | 109.4° |
| C20 | C19 | H25 | 109.0° | 109.5° |
| N22 | C21 | O33 | 123.3° | 120.0° |
| C21 | N22 | C23 | 119.6° | 120.0° |
| C21 | N22 | H33 | 120.2° | 120.0° |
| C23 | C24 | C25 | 109.8° | 109.5° |
| C24 | C23 | C31 | 110.8° | 109.5° |
| C24 | C23 | N22 | 112.0° | 109.5° |
| C23 | C24 | H8 | 109.4° | 109.5° |
| C23 | C24 | H9 | 109.4° | 109.5° |
| C24 | C23 | H26 | 106.5° | 109.4° |
| C24 | C25 | C26 | 111.1° | 110.5° |
| C24 | C25 | C29 | 106.9° | 110.5° |
| C25 | C24 | H8 | 109.4° | 109.5° |
| C25 | C24 | H9 | 109.4° | 109.4° |
| C24 | C25 | H27 | 108.6° | 110.5° |
| C26 | C25 | C29 | 105.1° | 104.1° |
| C25 | C26 | H10 | 110.2° | 110.9° |
| C25 | C26 | H11 | 110.2° | 111.0° |
| C26 | C25 | H27 | 115.7° | 110.5° |
| C25 | C26 | C27 | 106.4° | 101.7° |
| C03 | C02 | O01 | 120.6° | 120.0° |
| C02 | C03 | C04 | 126.6° | 125.4° |
| C02 | C03 | N11 | 124.7° | 125.4° |
| C04 | C03 | N11 | 108.6° | 109.2° |
| C03 | C04 | C05 | 106.6° | 107.7° |
| C03 | C04 | H13 | 126.7° | 126.1° |
| C03 | N11 | H32 | 125.1° | 125.7° |
| C04 | C05 | C06 | 133.7° | 133.4° |
| C05 | C04 | H13 | 126.7° | 126.1° |
| C05 | C06 | C07 | 119.6° | 119.8° |
| C05 | C06 | H14 | 120.2° | 120.1° |
| C06 | C07 | C08 | 120.5° | 120.6° |
| C07 | C06 | H14 | 120.2° | 120.1° |
| C06 | C07 | H15 | 119.7° | 119.7° |
| C07 | C08 | C09 | 119.9° | 120.6° |
| C08 | C07 | H15 | 119.7° | 119.7° |
| C07 | C08 | H16 | 120.0° | 119.7° |
| C09 | C08 | H16 | 120.1° | 119.7° |
| C08 | C09 | H17 | 120.2° | 120.1° |
| C19 | C18 | H22 | 108.8° | 109.4° |
| C19 | C18 | H23 | 108.8° | 109.4° |
| C18 | C19 | H24 | 109.0° | 109.5° |
| C18 | C19 | H25 | 109.0° | 109.5° |
| C31 | C23 | N22 | 113.3° | 109.5° |
| C23 | C31 | O32 | 118.0° | 120.0° |
| C31 | C23 | H26 | 106.6° | 109.5° |
| C23 | C31 | H31 | 121.0° | 120.0° |
| N22 | C23 | H26 | 107.2° | 109.5° |
| C23 | N22 | H33 | 120.2° | 120.0° |
| C25 | C29 | N28 | 106.0° | 110.1° |
| C25 | C29 | O30 | 126.9° | 125.0° |
| C29 | C25 | H27 | 109.0° | 110.5° |
| C27 | N28 | C29 | 105.8° | 111.3° |
| N28 | C27 | H28 | 110.0° | 110.3° |
| N28 | C27 | H29 | 110.0° | 110.3° |
| C27 | N28 | H34 | 127.1° | 124.3° |
| N28 | C27 | C26 | 107.4° | 105.5° |
| N28 | C29 | O30 | 127.2° | 124.9° |
| C29 | N28 | H34 | 127.1° | 124.4° |
| O32 | C31 | H31 | 121.0° | 120.0° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 110.8° |
| H10 | C26 | C27 | 110.2° | 111.3° |
| H11 | C26 | C27 | 110.2° | 110.8° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 110.2° |
| H28 | C27 | C26 | 110.0° | 110.2° |
| H29 | C27 | C26 | 110.0° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C10 | C09 | N11 | 179.8° | 179.7° |
| C10 | C05 | C04 | C03 | 0.6° | 0.0° |
| C05 | C10 | N11 | C03 | 1.0° | 0.4° |
| C10 | C05 | C04 | C06 | 179.7° | 179.8° |
| C10 | C05 | C06 | C07 | 0.1° | 0.4° |
| C05 | C10 | C09 | C08 | 0.0° | 0.1° |
| C10 | C05 | C04 | H13 | 179.4° | 180.0° |
| C10 | C05 | C06 | H14 | 179.9° | 180.0° |
| C05 | C10 | C09 | H17 | 180.0° | 180.0° |
| C05 | C10 | N11 | H32 | 179.0° | 180.0° |
| C09 | C10 | N11 | C03 | 179.1° | 179.9° |
| C09 | C10 | C05 | C04 | 179.9° | 180.0° |
| C09 | C10 | C05 | C06 | 0.2° | 0.2° |
| C10 | C09 | C08 | C07 | 0.3° | 0.0° |
| C10 | C09 | C08 | H17 | 180.0° | 179.9° |
| C10 | C09 | C08 | H16 | 179.7° | 179.9° |
| C09 | C10 | N11 | H32 | 0.9° | 0.3° |
| C10 | N11 | C03 | C02 | 178.1° | 179.8° |
| C10 | N11 | C03 | C04 | 1.4° | 0.4° |
| C10 | N11 | C03 | H32 | 180.0° | 179.6° |
| N11 | C10 | C05 | C04 | 0.2° | 0.2° |
| N11 | C10 | C05 | C06 | 180.0° | 180.0° |
| N11 | C10 | C09 | C08 | 179.8° | 179.7° |
| N11 | C10 | C09 | H17 | 0.2° | 0.2° |
| C13 | N12 | C02 | H1 | 180.0° | 180.0° |
| N12 | C13 | C21 | C14 | 121.6° | 120.0° |
| N12 | C13 | C21 | H2 | 121.5° | 120.0° |
| N12 | C13 | C14 | H2 | 119.8° | 120.0° |
| N12 | C13 | C14 | C15 | 55.8° | 174.5° |
| N12 | C13 | C21 | N22 | 145.6° | 166.1° |
| N12 | C13 | C21 | O33 | 37.2° | 13.8° |
| C13 | N12 | C02 | C03 | 177.1° | 175.5° |
| C13 | N12 | C02 | O01 | 0.3° | 4.9° |
| N12 | C13 | C14 | H18 | 64.7° | 54.5° |
| N12 | C13 | C14 | H19 | 176.3° | 65.5° |
| C02 | N12 | C13 | C21 | 69.2° | 151.1° |
| C02 | N12 | C13 | C14 | 170.2° | 89.0° |
| N12 | C02 | C03 | O01 | 176.8° | 179.7° |
| N12 | C02 | C03 | C04 | 8.4° | 179.7° |
| N12 | C02 | C03 | N11 | 167.6° | 0.1° |
| C02 | N12 | C13 | H2 | 51.5° | 31.0° |
| C21 | C13 | C14 | H2 | 117.2° | 120.0° |
| C21 | C13 | C14 | C15 | 178.9° | 65.5° |
| C13 | C21 | N22 | O33 | 177.2° | 179.9° |
| C13 | C21 | N22 | C23 | 177.8° | 175.0° |
| C21 | C13 | N12 | H1 | 110.8° | 28.9° |
| C21 | C13 | C14 | H18 | 58.4° | 174.5° |
| C21 | C13 | C14 | H19 | 60.7° | 54.5° |
| C13 | C21 | N22 | H33 | 2.2° | 5.0° |
| C13 | C14 | C15 | C20 | 60.1° | 173.2° |
| C13 | C14 | C15 | H18 | 120.5° | 120.1° |
| C13 | C14 | C15 | H19 | 120.4° | 120.0° |
| C13 | C14 | C15 | C16 | 179.2° | 66.8° |
| C14 | C13 | C21 | N22 | 92.9° | 73.9° |
| C14 | C13 | C21 | O33 | 84.4° | 106.1° |
| C14 | C13 | N12 | H1 | 9.8° | 91.0° |
| C13 | C14 | C15 | H3 | 60.0° | 53.2° |
| C13 | C14 | H18 | H19 | 118.5° | 120.0° |
| C20 | C15 | C14 | C16 | 120.7° | 120.0° |
| C20 | C15 | C14 | H3 | 120.1° | 120.0° |
| C20 | C15 | C16 | H3 | 121.1° | 120.0° |
| C20 | C15 | C16 | C17 | 56.7° | 60.0° |
| C15 | C20 | C19 | H6 | 120.2° | 120.0° |
| C15 | C20 | C19 | H7 | 120.2° | 120.0° |
| C15 | C20 | C19 | C18 | 56.3° | 60.0° |
| C15 | C20 | H6 | H7 | 119.5° | 120.0° |
| C20 | C15 | C14 | H18 | 179.4° | 66.8° |
| C20 | C15 | C14 | H19 | 60.4° | 53.2° |
| C20 | C15 | C16 | H20 | 177.0° | 180.0° |
| C20 | C15 | C16 | H21 | 63.6° | 60.0° |
| C15 | C20 | C19 | H24 | 176.6° | 60.0° |
| C15 | C20 | C19 | H25 | 64.0° | 180.0° |
| C14 | C15 | C16 | H3 | 118.7° | 120.0° |
| C14 | C15 | C16 | C17 | 176.9° | 180.0° |
| C14 | C15 | C20 | C19 | 177.1° | 180.0° |
| C15 | C14 | C13 | H2 | 64.0° | 54.5° |
| C14 | C15 | C20 | H6 | 56.9° | 60.0° |
| C14 | C15 | C20 | H7 | 62.7° | 60.0° |
| C15 | C14 | H18 | H19 | 118.6° | 120.0° |
| C14 | C15 | C16 | H20 | 62.8° | 60.0° |
| C14 | C15 | C16 | H21 | 56.6° | 60.0° |
| C15 | C16 | C17 | H20 | 120.3° | 120.0° |
| C15 | C16 | C17 | H21 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 53.8° | 60.0° |
| C16 | C15 | C20 | C19 | 57.8° | 60.0° |
| C15 | C16 | C17 | H4 | 66.6° | 60.0° |
| C15 | C16 | C17 | H5 | 174.1° | 180.0° |
| C16 | C15 | C20 | H6 | 62.4° | 180.0° |
| C16 | C15 | C20 | H7 | 178.0° | 60.0° |
| C16 | C15 | C14 | H18 | 58.7° | 53.2° |
| C16 | C15 | C14 | H19 | 60.4° | 173.2° |
| C15 | C16 | H20 | H21 | 119.1° | 120.0° |
| C16 | C17 | C18 | H4 | 120.3° | 120.1° |
| C16 | C17 | C18 | H5 | 120.4° | 120.0° |
| C16 | C17 | C18 | C19 | 52.2° | 60.0° |
| C17 | C16 | C15 | H3 | 64.3° | 60.0° |
| C16 | C17 | H4 | H5 | 119.0° | 120.1° |
| C17 | C16 | H20 | H21 | 119.1° | 120.0° |
| C16 | C17 | C18 | H22 | 172.6° | 180.0° |
| C16 | C17 | C18 | H23 | 68.2° | 59.9° |
| C17 | C18 | C19 | C20 | 53.6° | 60.0° |
| C17 | C18 | C19 | H22 | 120.4° | 120.0° |
| C17 | C18 | C19 | H23 | 120.4° | 120.0° |
| C18 | C17 | H4 | H5 | 119.0° | 119.9° |
| C18 | C17 | C16 | H20 | 174.1° | 180.0° |
| C18 | C17 | C16 | H21 | 66.5° | 60.0° |
| C17 | C18 | H22 | H23 | 118.7° | 120.0° |
| C17 | C18 | C19 | H24 | 173.9° | 60.0° |
| C17 | C18 | C19 | H25 | 66.7° | 180.0° |
| C20 | C19 | C18 | H24 | 120.3° | 119.9° |
| C20 | C19 | C18 | H25 | 120.3° | 120.0° |
| C19 | C20 | C15 | H3 | 63.3° | 60.0° |
| C19 | C20 | H6 | H7 | 119.5° | 120.0° |
| C20 | C19 | C18 | H22 | 174.0° | 180.0° |
| C20 | C19 | C18 | H23 | 66.8° | 60.0° |
| C20 | C19 | H24 | H25 | 119.1° | 120.0° |
| C21 | N22 | C23 | C24 | 105.5° | 155.0° |
| C21 | N22 | C23 | C31 | 128.2° | 85.0° |
| C21 | N22 | C23 | H33 | 180.0° | 180.0° |
| N22 | C21 | C13 | H2 | 24.1° | 46.1° |
| C21 | N22 | C23 | H26 | 10.9° | 35.0° |
| O33 | C21 | N22 | C23 | 0.6° | 4.9° |
| O33 | C21 | C13 | H2 | 158.7° | 133.9° |
| O33 | C21 | N22 | H33 | 179.4° | 175.1° |
| C23 | C24 | C25 | H8 | 120.1° | 120.0° |
| C23 | C24 | C25 | H9 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 73.2° | 175.0° |
| C24 | C23 | C31 | N22 | 126.9° | 120.0° |
| C24 | C23 | C31 | H26 | 115.5° | 120.0° |
| C24 | C23 | N22 | H26 | 116.4° | 119.9° |
| C23 | C24 | C25 | C29 | 172.6° | 70.3° |
| C24 | C23 | C31 | O32 | 65.1° | 120.0° |
| C23 | C24 | H8 | H9 | 119.9° | 120.0° |
| C23 | C24 | C25 | H27 | 55.1° | 52.3° |
| C24 | C23 | C31 | H31 | 114.9° | 60.0° |
| C24 | C23 | N22 | H33 | 74.5° | 25.0° |
| C24 | C25 | C26 | C29 | 115.3° | 118.7° |
| C24 | C25 | C26 | H27 | 124.4° | 122.6° |
| C25 | C24 | C23 | C31 | 166.5° | 175.0° |
| C25 | C24 | C23 | N22 | 66.0° | 65.0° |
| C24 | C25 | C29 | H27 | 117.2° | 122.6° |
| C24 | C25 | C29 | N28 | 139.2° | 102.1° |
| C24 | C25 | C29 | O30 | 40.5° | 77.7° |
| C25 | C24 | H8 | H9 | 119.8° | 120.0° |
| C24 | C25 | C26 | H10 | 24.2° | 148.0° |
| C24 | C25 | C26 | H11 | 96.8° | 24.3° |
| C25 | C24 | C23 | H26 | 50.9° | 55.0° |
| C24 | C25 | C26 | C27 | 143.7° | 93.6° |
| C26 | C25 | C29 | H27 | 124.6° | 118.7° |
| C25 | C26 | C27 | N28 | 31.7° | 25.6° |
| C26 | C25 | C29 | N28 | 21.0° | 16.6° |
| C26 | C25 | C29 | O30 | 158.6° | 163.6° |
| C26 | C25 | C24 | H8 | 166.7° | 65.0° |
| C26 | C25 | C24 | H9 | 46.8° | 55.0° |
| C25 | C26 | H10 | H11 | 121.4° | 123.8° |
| C25 | C26 | H10 | C27 | 117.2° | 112.5° |
| C25 | C26 | H11 | C27 | 117.2° | 112.2° |
| C25 | C26 | C27 | H28 | 87.9° | 144.6° |
| C25 | C26 | C27 | H29 | 151.4° | 93.4° |
| C02 | C03 | C04 | N11 | 176.6° | 179.8° |
| C02 | C03 | C04 | C05 | 177.8° | 179.9° |
| C03 | C02 | N12 | H1 | 3.0° | 4.5° |
| C02 | C03 | C04 | H13 | 2.2° | 0.1° |
| C02 | C03 | N11 | H32 | 1.9° | 0.2° |
| O01 | C02 | C03 | C04 | 174.8° | 0.1° |
| O01 | C02 | C03 | N11 | 9.2° | 179.7° |
| O01 | C02 | N12 | H1 | 179.8° | 175.2° |
| C03 | C04 | C05 | H13 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 179.1° | 179.8° |
| C04 | C03 | N11 | H32 | 178.6° | 180.0° |
| N11 | C03 | C04 | C05 | 1.2° | 0.3° |
| N11 | C03 | C04 | H13 | 178.8° | 179.8° |
| C04 | C05 | C06 | C07 | 179.7° | 179.8° |
| C04 | C05 | C06 | H14 | 0.3° | 0.2° |
| C05 | C06 | C07 | H14 | 180.0° | 179.5° |
| C05 | C06 | C07 | C08 | 0.2° | 0.5° |
| C06 | C05 | C04 | H13 | 0.9° | 0.2° |
| C05 | C06 | C07 | H15 | 179.8° | 179.8° |
| C06 | C07 | C08 | H15 | 180.0° | 179.7° |
| C06 | C07 | C08 | C09 | 0.4° | 0.2° |
| C06 | C07 | C08 | H16 | 179.6° | 179.8° |
| C07 | C08 | C09 | H16 | 180.0° | 180.0° |
| C08 | C07 | C06 | H14 | 179.8° | 180.0° |
| C07 | C08 | C09 | H17 | 179.7° | 179.9° |
| C09 | C08 | C07 | H15 | 179.6° | 179.9° |
| C19 | C18 | C17 | H4 | 68.1° | 60.0° |
| C19 | C18 | C17 | H5 | 172.6° | 180.0° |
| C18 | C19 | C20 | H6 | 63.9° | 180.0° |
| C18 | C19 | C20 | H7 | 176.5° | 60.0° |
| C19 | C18 | H22 | H23 | 118.8° | 120.0° |
| C18 | C19 | H24 | H25 | 119.1° | 120.0° |
| C31 | C23 | N22 | H26 | 117.3° | 120.1° |
| C23 | C31 | O32 | H31 | 180.0° | 180.0° |
| C31 | C23 | C24 | H8 | 73.5° | 65.0° |
| C31 | C23 | C24 | H9 | 46.4° | 55.0° |
| C31 | C23 | N22 | H33 | 51.8° | 95.0° |
| N22 | C23 | C31 | O32 | 168.0° | 0.0° |
| N22 | C23 | C24 | H8 | 54.1° | 55.0° |
| N22 | C23 | C24 | H9 | 174.0° | 175.0° |
| N22 | C23 | C31 | H31 | 11.9° | 180.0° |
| C25 | C29 | N28 | C27 | 0.4° | 0.2° |
| C25 | C29 | N28 | O30 | 179.6° | 179.8° |
| C29 | C25 | C24 | H8 | 52.6° | 49.7° |
| C29 | C25 | C24 | H9 | 67.3° | 169.7° |
| C29 | C25 | C26 | H10 | 91.1° | 93.3° |
| C29 | C25 | C26 | H11 | 148.0° | 143.0° |
| C25 | C29 | N28 | H34 | 179.6° | 179.8° |
| C29 | C25 | C26 | C27 | 28.4° | 25.1° |
| C27 | N28 | C29 | H34 | 180.0° | 180.0° |
| C27 | N28 | C29 | O30 | 180.0° | 179.6° |
| N28 | C27 | C26 | H10 | 87.8° | 92.6° |
| N28 | C27 | C26 | H11 | 151.2° | 143.6° |
| N28 | C27 | H28 | H29 | 121.0° | 122.0° |
| N28 | C27 | H28 | C26 | 118.1° | 116.0° |
| N28 | C27 | H29 | C26 | 118.1° | 116.1° |
| N28 | C29 | C25 | H27 | 103.6° | 135.3° |
| C29 | N28 | C27 | H28 | 104.3° | 136.0° |
| C29 | N28 | C27 | H29 | 135.1° | 102.0° |
| C29 | N28 | C27 | C26 | 15.4° | 17.0° |
| O30 | C29 | C25 | H27 | 76.8° | 44.9° |
| O30 | C29 | N28 | H34 | 0.0° | 0.4° |
| O32 | C31 | C23 | H26 | 50.4° | 120.0° |
| H1 | N12 | C13 | H2 | 128.5° | 149.0° |
| H2 | C13 | C14 | H18 | 175.6° | 65.5° |
| H2 | C13 | C14 | H19 | 56.5° | 174.5° |
| H3 | C15 | C20 | H6 | 176.5° | 60.0° |
| H3 | C15 | C20 | H7 | 56.9° | 180.0° |
| H3 | C15 | C14 | H18 | 60.5° | 173.2° |
| H3 | C15 | C14 | H19 | 179.6° | 66.8° |
| H3 | C15 | C16 | H20 | 56.0° | 60.0° |
| H3 | C15 | C16 | H21 | 175.4° | 180.0° |
| H4 | C17 | C16 | H20 | 53.7° | 60.0° |
| H4 | C17 | C16 | H21 | 173.1° | 180.0° |
| H4 | C17 | C18 | H22 | 52.3° | 59.9° |
| H4 | C17 | C18 | H23 | 171.5° | NaN° |
| H5 | C17 | C16 | H20 | 65.6° | 60.0° |
| H5 | C17 | C16 | H21 | 53.8° | 59.9° |
| H5 | C17 | C18 | H22 | 67.0° | 60.0° |
| H5 | C17 | C18 | H23 | 52.2° | 60.1° |
| H6 | C20 | C19 | H24 | 56.4° | 60.1° |
| H6 | C20 | C19 | H25 | 175.8° | 60.0° |
| H7 | C20 | C19 | H24 | 63.3° | 179.9° |
| H7 | C20 | C19 | H25 | 56.1° | 60.0° |
| H8 | C24 | C23 | H26 | 170.9° | 175.0° |
| H8 | C24 | C25 | H27 | 64.9° | 172.4° |
| H9 | C24 | C23 | H26 | 69.1° | 65.0° |
| H9 | C24 | C25 | H27 | 175.2° | 67.6° |
| H10 | C26 | H11 | C27 | 121.4° | 124.0° |
| H10 | C26 | C25 | H27 | 148.6° | 25.4° |
| H10 | C26 | C27 | H28 | 152.6° | 26.4° |
| H10 | C26 | C27 | H29 | 31.9° | 148.4° |
| H11 | C26 | C25 | H27 | 27.6° | 98.3° |
| H11 | C26 | C27 | H28 | 31.6° | 97.4° |
| H11 | C26 | C27 | H29 | 89.1° | 24.6° |
| H14 | C06 | C07 | H15 | 0.2° | 0.3° |
| H15 | C07 | C08 | H16 | 0.4° | 0.1° |
| H16 | C08 | C09 | H17 | 0.3° | 0.0° |
| H22 | C18 | C19 | H24 | 65.7° | 60.0° |
| H22 | C18 | C19 | H25 | 53.7° | 60.0° |
| H23 | C18 | C19 | H24 | 53.5° | 179.9° |
| H23 | C18 | C19 | H25 | 172.9° | 60.0° |
| H26 | C23 | C31 | H31 | 129.6° | 60.0° |
| H26 | C23 | N22 | H33 | 169.1° | 145.0° |
| H27 | C25 | C26 | C27 | 91.9° | 143.8° |
| H28 | C27 | H29 | C26 | 120.9° | 121.9° |
| H28 | C27 | N28 | H34 | 75.7° | 43.9° |
| H29 | C27 | N28 | H34 | 44.9° | 78.0° |
| H34 | N28 | C27 | C26 | 164.6° | 162.9° |
