A1EEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.55Å | |
| C36 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | N34 | sing | 1.46Å | 1.48Å | |
| N34 | C02 | sing | 1.35Å | 1.46Å | |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.49Å | |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | sing | 1.50Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.49Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| N03 | C17 | sing | 1.46Å | 1.50Å | |
| C06 | O33 | doub | 1.21Å | 1.22Å | |
| C06 | N07 | sing | 1.34Å | 1.50Å | |
| C17 | N07 | sing | 1.46Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N07 | C08 | sing | 1.48Å | 1.38Å | |
| C18 | N19 | sing | 1.46Å | 1.41Å | |
| N11 | C12 | sing | 1.35Å | 1.32Å | Aromatic |
| N11 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| N19 | C31 | sing | 1.33Å | 1.49Å | |
| C08 | C31 | sing | 1.50Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C21 | sing | 1.36Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C29 | C28 | sing | 1.36Å | 1.39Å | Aromatic |
| C31 | O32 | doub | 1.21Å | 1.22Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | C14 | doub | 1.35Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.41Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.34Å | 1.33Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.43Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| N11 | H14 | sing | 0.97Å | 1.00Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| N34 | H24 | sing | 0.97Å | 1.00Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| C42 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C38 | C39 | 120.0° | 120.0° |
| C38 | C37 | C36 | 120.0° | 120.0° |
| C38 | C37 | H27 | 120.0° | 120.0° |
| C37 | C38 | H28 | 120.0° | 119.9° |
| C38 | C39 | C41 | 119.8° | 120.0° |
| C39 | C38 | H28 | 120.0° | 120.0° |
| C38 | C39 | H29 | 120.1° | 120.0° |
| C37 | C36 | C35 | 119.5° | 120.0° |
| C37 | C36 | C42 | 120.1° | 120.0° |
| C36 | C37 | H27 | 120.0° | 120.0° |
| C39 | C41 | C42 | 120.3° | 120.0° |
| C41 | C39 | H29 | 120.1° | 120.0° |
| C39 | C41 | H30 | 119.8° | 120.0° |
| C35 | C36 | C42 | 120.3° | 120.0° |
| C36 | C35 | N34 | 114.8° | 109.5° |
| C36 | C35 | H25 | 108.1° | 109.5° |
| C36 | C35 | H26 | 108.1° | 109.5° |
| C36 | C42 | C41 | 119.8° | 120.0° |
| C36 | C42 | H31 | 120.1° | 120.0° |
| C35 | N34 | C02 | 121.7° | 120.0° |
| C35 | N34 | H24 | 119.1° | 120.0° |
| N34 | C35 | H25 | 108.1° | 109.4° |
| N34 | C35 | H26 | 108.1° | 109.5° |
| N34 | C02 | N03 | 120.9° | 120.0° |
| N34 | C02 | O01 | 120.9° | 120.0° |
| C02 | N34 | H24 | 119.1° | 120.0° |
| C42 | C41 | H30 | 119.9° | 120.0° |
| C41 | C42 | H31 | 120.1° | 120.0° |
| C05 | C04 | N03 | 106.0° | 107.8° |
| C04 | C05 | C06 | 111.4° | 109.0° |
| C05 | C04 | H7 | 110.3° | 109.8° |
| C05 | C04 | H8 | 110.3° | 109.8° |
| C04 | C05 | H9 | 109.0° | 109.5° |
| C04 | C05 | H10 | 109.0° | 109.6° |
| C04 | N03 | C02 | 124.2° | 120.1° |
| C04 | N03 | C17 | 113.9° | 119.9° |
| N03 | C04 | H7 | 110.4° | 109.8° |
| N03 | C04 | H8 | 110.4° | 109.8° |
| C05 | C06 | O33 | 120.5° | 118.5° |
| C05 | C06 | N07 | 117.5° | 122.9° |
| C06 | C05 | H9 | 109.0° | 109.6° |
| C06 | C05 | H10 | 109.0° | 109.6° |
| N03 | C02 | O01 | 118.2° | 120.0° |
| C02 | N03 | C17 | 121.5° | 120.0° |
| N03 | C17 | N07 | 111.5° | 111.4° |
| N03 | C17 | C18 | 112.3° | 109.5° |
| N03 | C17 | H1 | 107.2° | 108.8° |
| O33 | C06 | N07 | 122.0° | 118.6° |
| C06 | N07 | C17 | 121.3° | 123.7° |
| C06 | N07 | C08 | 125.5° | 119.3° |
| N07 | C17 | C18 | 110.9° | 108.5° |
| C17 | N07 | C08 | 113.2° | 117.0° |
| N07 | C17 | H1 | 107.7° | 109.3° |
| C17 | C18 | N19 | 115.3° | 110.6° |
| C18 | C17 | H1 | 106.9° | 109.3° |
| C17 | C18 | H18 | 108.0° | 109.3° |
| C17 | C18 | H19 | 108.0° | 109.3° |
| N07 | C08 | C31 | 111.9° | 108.7° |
| N07 | C08 | C09 | 114.5° | 109.6° |
| N07 | C08 | H11 | 109.0° | 109.6° |
| C18 | N19 | C20 | 121.1° | 117.7° |
| C18 | N19 | C31 | 120.0° | 124.5° |
| N19 | C18 | H18 | 108.0° | 109.3° |
| N19 | C18 | H19 | 108.0° | 109.2° |
| C12 | N11 | C10 | 108.2° | 107.3° |
| N11 | C12 | N13 | 108.5° | 108.6° |
| C12 | N11 | H14 | 125.9° | 126.3° |
| N11 | C12 | H15 | 125.8° | 125.6° |
| N11 | C10 | C09 | 123.8° | 126.6° |
| N11 | C10 | C14 | 106.4° | 106.8° |
| C10 | N11 | H14 | 125.9° | 126.4° |
| C12 | N13 | C14 | 109.1° | 109.3° |
| N13 | C12 | H15 | 125.7° | 125.7° |
| C20 | N19 | C31 | 118.9° | 117.8° |
| N19 | C20 | C21 | 111.8° | 109.5° |
| N19 | C20 | H2 | 108.9° | 109.5° |
| N19 | C20 | H3 | 108.9° | 109.4° |
| N19 | C31 | C08 | 119.2° | 123.1° |
| N19 | C31 | O32 | 121.0° | 118.4° |
| C31 | C08 | C09 | 106.4° | 109.6° |
| C08 | C31 | O32 | 119.7° | 118.4° |
| C31 | C08 | H11 | 107.8° | 109.6° |
| C08 | C09 | C10 | 113.6° | 109.5° |
| C09 | C08 | H11 | 106.8° | 109.7° |
| C08 | C09 | H12 | 108.4° | 109.5° |
| C08 | C09 | H13 | 108.4° | 109.5° |
| C29 | C30 | C21 | 120.5° | 121.0° |
| C30 | C29 | C28 | 119.9° | 121.0° |
| C30 | C29 | H22 | 120.1° | 119.5° |
| C29 | C30 | H23 | 119.7° | 119.5° |
| C30 | C21 | C20 | 117.3° | 120.2° |
| C30 | C21 | C22 | 119.7° | 119.6° |
| C21 | C30 | H23 | 119.8° | 119.5° |
| C20 | C21 | C22 | 123.0° | 120.2° |
| C21 | C20 | H2 | 108.9° | 109.5° |
| C21 | C20 | H3 | 108.9° | 109.5° |
| C29 | C28 | C27 | 120.0° | 119.7° |
| C29 | C28 | H6 | 120.0° | 120.2° |
| C28 | C29 | H22 | 120.1° | 119.5° |
| C09 | C10 | C14 | 129.8° | 126.6° |
| C10 | C09 | H12 | 108.4° | 109.5° |
| C10 | C09 | H13 | 108.4° | 109.5° |
| C10 | C14 | N13 | 107.8° | 108.1° |
| C10 | C14 | H17 | 126.1° | 126.0° |
| C21 | C22 | C27 | 119.3° | 119.4° |
| C21 | C22 | C23 | 122.2° | 121.2° |
| N13 | C14 | H17 | 126.1° | 126.0° |
| C28 | C27 | C22 | 120.6° | 119.4° |
| C28 | C27 | C26 | 119.3° | 121.3° |
| C27 | C28 | H6 | 120.0° | 120.2° |
| C27 | C22 | C23 | 118.5° | 119.4° |
| C22 | C27 | C26 | 120.2° | 119.3° |
| C22 | C23 | C24 | 121.4° | 119.6° |
| C22 | C23 | H20 | 119.3° | 120.2° |
| C27 | C26 | C25 | 120.0° | 119.7° |
| C27 | C26 | H5 | 120.0° | 120.1° |
| C23 | C24 | C25 | 120.5° | 121.0° |
| C23 | C24 | H4 | 119.7° | 119.5° |
| C24 | C23 | H20 | 119.3° | 120.1° |
| C26 | C25 | C24 | 119.4° | 121.0° |
| C25 | C26 | H5 | 120.0° | 120.2° |
| C26 | C25 | H21 | 120.3° | 119.5° |
| C25 | C24 | H4 | 119.7° | 119.5° |
| C24 | C25 | H21 | 120.3° | 119.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.9° |
| H9 | C05 | H10 | 109.4° | 109.6° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.2° |
| H25 | C35 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C38 | C39 | H28 | 180.0° | 180.0° |
| C38 | C37 | C36 | H27 | 180.0° | 180.0° |
| C37 | C38 | C39 | C41 | 0.4° | 0.1° |
| C38 | C37 | C36 | C35 | 179.0° | 180.0° |
| C38 | C37 | C36 | C42 | 0.7° | 0.3° |
| C37 | C38 | C39 | H29 | 179.6° | 180.0° |
| C39 | C38 | C37 | C36 | 0.0° | NaN° |
| C38 | C39 | C41 | H29 | 180.0° | 180.0° |
| C38 | C39 | C41 | C42 | 0.1° | 0.2° |
| C39 | C38 | C37 | H27 | 180.0° | 180.0° |
| C38 | C39 | C41 | H30 | 179.9° | 180.0° |
| C37 | C36 | C35 | C42 | 178.3° | 179.7° |
| C37 | C36 | C35 | N34 | 129.4° | 89.8° |
| C37 | C36 | C42 | C41 | 0.9° | 0.6° |
| C37 | C36 | C35 | H25 | 8.6° | 150.3° |
| C37 | C36 | C35 | H26 | 109.9° | 30.3° |
| C36 | C37 | C38 | H28 | 180.0° | 180.0° |
| C37 | C36 | C42 | H31 | 179.1° | 179.7° |
| C39 | C41 | C42 | C36 | 0.5° | 0.5° |
| C39 | C41 | C42 | H30 | 180.0° | 179.8° |
| C41 | C39 | C38 | H28 | 179.6° | 180.0° |
| C39 | C41 | C42 | H31 | 179.5° | 179.8° |
| C36 | C35 | N34 | H25 | 120.8° | 120.0° |
| C36 | C35 | N34 | H26 | 120.8° | 120.0° |
| C36 | C35 | N34 | C02 | 92.3° | 180.0° |
| C35 | C36 | C42 | C41 | 179.2° | 179.7° |
| C36 | C35 | N34 | H24 | 87.7° | 0.1° |
| C36 | C35 | H25 | H26 | 117.5° | 120.0° |
| C35 | C36 | C37 | H27 | 1.0° | 0.0° |
| C35 | C36 | C42 | H31 | 0.8° | 0.0° |
| C42 | C36 | C35 | N34 | 52.3° | 89.9° |
| C36 | C42 | C41 | H31 | 180.0° | 179.7° |
| C42 | C36 | C35 | H25 | 173.1° | 30.0° |
| C42 | C36 | C35 | H26 | 68.5° | 150.0° |
| C42 | C36 | C37 | H27 | 179.4° | 179.7° |
| C36 | C42 | C41 | H30 | 179.5° | 179.7° |
| C35 | N34 | C02 | H24 | 180.0° | 179.9° |
| C35 | N34 | C02 | N03 | 179.0° | 175.0° |
| C35 | N34 | C02 | O01 | 1.4° | 5.0° |
| N34 | C35 | H25 | H26 | 117.6° | 120.1° |
| N34 | C02 | N03 | C04 | 5.3° | 175.1° |
| N34 | C02 | N03 | O01 | 177.7° | 180.0° |
| N34 | C02 | N03 | C17 | 176.8° | 4.8° |
| C02 | N34 | C35 | H25 | 146.9° | 60.1° |
| C02 | N34 | C35 | H26 | 28.5° | 60.0° |
| C42 | C41 | C39 | H29 | 179.9° | 179.7° |
| C05 | C04 | N03 | H7 | 119.5° | 119.6° |
| C05 | C04 | N03 | H8 | 119.4° | 119.5° |
| C04 | C05 | C06 | H9 | 120.3° | 119.8° |
| C04 | C05 | C06 | H10 | 120.3° | 119.8° |
| C05 | C04 | N03 | C02 | 100.1° | 123.3° |
| C05 | C04 | N03 | C17 | 71.9° | 56.7° |
| C04 | C05 | C06 | O33 | 155.1° | 151.5° |
| C04 | C05 | C06 | N07 | 25.0° | 28.5° |
| C05 | C04 | H7 | H8 | 121.6° | 120.8° |
| C04 | C05 | H9 | H10 | 119.1° | 120.2° |
| N03 | C04 | C05 | C06 | 57.6° | 50.8° |
| C04 | N03 | C02 | C17 | 171.5° | 180.0° |
| C04 | N03 | C02 | O01 | 177.0° | 4.9° |
| C04 | N03 | C17 | N07 | 46.6° | 31.2° |
| C04 | N03 | C17 | C18 | 78.6° | 88.8° |
| C04 | N03 | C17 | H1 | 164.3° | 151.8° |
| N03 | C04 | H7 | H8 | 121.6° | 120.8° |
| N03 | C04 | C05 | H9 | 177.9° | 170.7° |
| N03 | C04 | C05 | H10 | 62.7° | 69.0° |
| C05 | C06 | O33 | N07 | 179.9° | 180.0° |
| C05 | C06 | N07 | C17 | 0.6° | 3.3° |
| C05 | C06 | N07 | C08 | 178.5° | 176.6° |
| C06 | C05 | C04 | H7 | 177.1° | 68.7° |
| C06 | C05 | C04 | H8 | 61.8° | 170.4° |
| C06 | C05 | H9 | H10 | 119.1° | 120.3° |
| C02 | N03 | C17 | N07 | 125.7° | 148.8° |
| C02 | N03 | C17 | C18 | 109.2° | 91.2° |
| C02 | N03 | C17 | H1 | 8.0° | 28.2° |
| C02 | N03 | C04 | H7 | 19.4° | 117.2° |
| C02 | N03 | C04 | H8 | 140.5° | 3.7° |
| N03 | C02 | N34 | H24 | 1.0° | 5.1° |
| O01 | C02 | N03 | C17 | 5.5° | 175.2° |
| O01 | C02 | N34 | H24 | 178.6° | 174.9° |
| N03 | C17 | N07 | C06 | 10.0° | 2.4° |
| N03 | C17 | N07 | C18 | 126.0° | 120.6° |
| N03 | C17 | N07 | H1 | 117.4° | 120.3° |
| N03 | C17 | C18 | H1 | 117.4° | 119.1° |
| N03 | C17 | N07 | C08 | 171.9° | 177.5° |
| N03 | C17 | C18 | N19 | 160.0° | 168.7° |
| C17 | N03 | C04 | H7 | 168.6° | 62.9° |
| C17 | N03 | C04 | H8 | 47.5° | 176.3° |
| N03 | C17 | C18 | H18 | 79.1° | 71.0° |
| N03 | C17 | C18 | H19 | 39.2° | 48.4° |
| O33 | C06 | N07 | C17 | 179.5° | 176.8° |
| O33 | C06 | N07 | C08 | 1.6° | 3.4° |
| O33 | C06 | C05 | H9 | 34.8° | 31.7° |
| O33 | C06 | C05 | H10 | 84.6° | 88.7° |
| C06 | N07 | C17 | C08 | 178.1° | 179.9° |
| C06 | N07 | C17 | C18 | 115.9° | 118.2° |
| C06 | N07 | C08 | C31 | 121.0° | 137.0° |
| C06 | N07 | C08 | C09 | 117.7° | 103.2° |
| C06 | N07 | C17 | H1 | 127.4° | 122.7° |
| N07 | C06 | C05 | H9 | 145.2° | 148.4° |
| N07 | C06 | C05 | H10 | 95.3° | 91.3° |
| C06 | N07 | C08 | H11 | 1.9° | 17.2° |
| N07 | C17 | C18 | H1 | 117.1° | 119.1° |
| N07 | C17 | C18 | N19 | 34.5° | 46.9° |
| C17 | N07 | C08 | C31 | 57.0° | 43.1° |
| C17 | N07 | C08 | C09 | 64.2° | 76.6° |
| C17 | N07 | C08 | H11 | 176.1° | 162.9° |
| N07 | C17 | C18 | H18 | 155.3° | 167.2° |
| N07 | C17 | C18 | H19 | 86.3° | 73.4° |
| C18 | C17 | N07 | C08 | 62.2° | 61.9° |
| C17 | C18 | N19 | H18 | 120.8° | 120.3° |
| C17 | C18 | N19 | H19 | 120.8° | 120.3° |
| C17 | C18 | N19 | C20 | 174.4° | 158.5° |
| C17 | C18 | N19 | C31 | 6.8° | 21.6° |
| C17 | C18 | H18 | H19 | 117.4° | 119.5° |
| N07 | C08 | C31 | N19 | 26.4° | 13.0° |
| N07 | C08 | C31 | C09 | 125.8° | 119.7° |
| N07 | C08 | C31 | H11 | 119.9° | 119.8° |
| N07 | C08 | C09 | H11 | 120.9° | 120.4° |
| N07 | C08 | C31 | O32 | 154.8° | 167.1° |
| N07 | C08 | C09 | C10 | 66.9° | 65.0° |
| C08 | N07 | C17 | H1 | 54.5° | 57.2° |
| N07 | C08 | C09 | H12 | 53.7° | 175.0° |
| N07 | C08 | C09 | H13 | 172.5° | 55.0° |
| C18 | N19 | C20 | C31 | 178.9° | 179.9° |
| C18 | N19 | C31 | C08 | 1.9° | 4.3° |
| C18 | N19 | C20 | C21 | 55.8° | 95.5° |
| C18 | N19 | C31 | O32 | 179.3° | 175.8° |
| N19 | C18 | C17 | H1 | 82.6° | 72.2° |
| C18 | N19 | C20 | H2 | 64.5° | 24.5° |
| C18 | N19 | C20 | H3 | 176.2° | 144.5° |
| N19 | C18 | H18 | H19 | 117.4° | 119.4° |
| C12 | N11 | C10 | H14 | 180.0° | 180.0° |
| N11 | C12 | N13 | H15 | 180.0° | 180.0° |
| C12 | N11 | C10 | C09 | 179.8° | 180.0° |
| C12 | N11 | C10 | C14 | 0.1° | 0.2° |
| N11 | C12 | N13 | C14 | 0.2° | 0.3° |
| C10 | N11 | C12 | N13 | 0.0° | 0.0° |
| N11 | C10 | C09 | C08 | 26.9° | 94.7° |
| N11 | C10 | C09 | C14 | 179.7° | 179.7° |
| N11 | C10 | C14 | N13 | 0.2° | 0.4° |
| N11 | C10 | C09 | H12 | 93.7° | 25.3° |
| N11 | C10 | C09 | H13 | 147.5° | 145.3° |
| C10 | N11 | C12 | H15 | 180.0° | 180.0° |
| N11 | C10 | C14 | H17 | 179.8° | 179.8° |
| C12 | N13 | C14 | C10 | 0.2° | 0.4° |
| N13 | C12 | N11 | H14 | 180.0° | 180.0° |
| C12 | N13 | C14 | H17 | 179.8° | 179.8° |
| C20 | N19 | C31 | C08 | 179.3° | 175.8° |
| N19 | C20 | C21 | C30 | 111.4° | 98.3° |
| N19 | C20 | C21 | H2 | 120.4° | 120.0° |
| N19 | C20 | C21 | H3 | 120.4° | 120.0° |
| C20 | N19 | C31 | O32 | 0.5° | 4.1° |
| N19 | C20 | C21 | C22 | 68.6° | 81.4° |
| N19 | C20 | H2 | H3 | 118.9° | 120.0° |
| C20 | N19 | C18 | H18 | 53.5° | 38.2° |
| C20 | N19 | C18 | H19 | 64.8° | 81.2° |
| N19 | C31 | C08 | O32 | 178.8° | 179.9° |
| N19 | C31 | C08 | C09 | 99.4° | 106.8° |
| C31 | N19 | C20 | C21 | 125.3° | 84.4° |
| C31 | N19 | C20 | H2 | 114.3° | 155.6° |
| C31 | N19 | C20 | H3 | 4.9° | 35.6° |
| N19 | C31 | C08 | H11 | 146.3° | 132.8° |
| C31 | N19 | C18 | H18 | 127.6° | 141.9° |
| C31 | N19 | C18 | H19 | 114.0° | 98.7° |
| C31 | C08 | C09 | H11 | 115.0° | 120.4° |
| C31 | C08 | C09 | C10 | 168.9° | 175.7° |
| C31 | C08 | C09 | H12 | 70.5° | 55.7° |
| C31 | C08 | C09 | H13 | 48.3° | 64.3° |
| C09 | C08 | C31 | O32 | 79.4° | 73.1° |
| C08 | C09 | C10 | H12 | 120.6° | 120.0° |
| C08 | C09 | C10 | H13 | 120.6° | 120.0° |
| C08 | C09 | C10 | C14 | 152.8° | 85.0° |
| C08 | C09 | H12 | H13 | 118.1° | 120.0° |
| C29 | C30 | C21 | H23 | 180.0° | 179.9° |
| C29 | C30 | C21 | C20 | 179.6° | 180.0° |
| C30 | C29 | C28 | H22 | 180.0° | 179.7° |
| C29 | C30 | C21 | C22 | 0.4° | 0.3° |
| C30 | C29 | C28 | C27 | 0.2° | 0.3° |
| C30 | C29 | C28 | H6 | 179.8° | 180.0° |
| C30 | C21 | C20 | C22 | 180.0° | 179.8° |
| C21 | C30 | C29 | C28 | 0.4° | 0.0° |
| C30 | C21 | C22 | C27 | 0.1° | 0.2° |
| C30 | C21 | C22 | C23 | 179.8° | 179.7° |
| C30 | C21 | C20 | H2 | 8.9° | 141.6° |
| C30 | C21 | C20 | H3 | 128.2° | 21.6° |
| C21 | C30 | C29 | H22 | 179.6° | 179.7° |
| C20 | C21 | C22 | C27 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C21 | C20 | H2 | H3 | 118.9° | 120.0° |
| C20 | C21 | C30 | H23 | 0.4° | 0.0° |
| C29 | C28 | C27 | H6 | 180.0° | 179.7° |
| C29 | C28 | C27 | C22 | 0.1° | 0.3° |
| C29 | C28 | C27 | C26 | 179.9° | 179.7° |
| C28 | C29 | C30 | H23 | 179.5° | 180.0° |
| O32 | C31 | C08 | H11 | 34.9° | 47.3° |
| C09 | C10 | C14 | N13 | 179.9° | 179.8° |
| C10 | C09 | C08 | H11 | 53.9° | 55.4° |
| C10 | C09 | H12 | H13 | 118.1° | 120.0° |
| C09 | C10 | N11 | H14 | 0.2° | 0.0° |
| C09 | C10 | C14 | H17 | 0.1° | 0.1° |
| C10 | C14 | N13 | H17 | 180.0° | 179.8° |
| C14 | C10 | C09 | H12 | 86.6° | 155.0° |
| C14 | C10 | C09 | H13 | 32.2° | 35.0° |
| C14 | C10 | N11 | H14 | 179.9° | 179.7° |
| C21 | C22 | C27 | C28 | 0.2° | 0.1° |
| C21 | C22 | C27 | C23 | 179.9° | 179.9° |
| C21 | C22 | C27 | C26 | 179.8° | 180.0° |
| C21 | C22 | C23 | C24 | 179.8° | 179.9° |
| C22 | C21 | C20 | H2 | 171.1° | 38.6° |
| C22 | C21 | C20 | H3 | 51.8° | 158.6° |
| C21 | C22 | C23 | H20 | 0.2° | 0.0° |
| C22 | C21 | C30 | H23 | 179.6° | 179.8° |
| C14 | N13 | C12 | H15 | 179.9° | 179.7° |
| C28 | C27 | C22 | C26 | 180.0° | 180.0° |
| C28 | C27 | C22 | C23 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 179.8° | 180.0° |
| C28 | C27 | C26 | H5 | 0.2° | 0.0° |
| C27 | C28 | C29 | H22 | 179.8° | 180.0° |
| C27 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C22 | C27 | C26 | H5 | 179.9° | 179.9° |
| C22 | C27 | C28 | H6 | 179.9° | 180.0° |
| C27 | C22 | C23 | H20 | 179.9° | 179.9° |
| C23 | C22 | C27 | C26 | 0.1° | 0.1° |
| C22 | C23 | C24 | H20 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H4 | 179.9° | 179.9° |
| C27 | C26 | C25 | H5 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C27 | C28 | H6 | 0.1° | 0.0° |
| C27 | C26 | C25 | H21 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.1° |
| C23 | C24 | C25 | H4 | 180.0° | 179.9° |
| C23 | C24 | C25 | H21 | 179.7° | 180.0° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C26 | C25 | C24 | H4 | 179.7° | 179.9° |
| C24 | C25 | C26 | H5 | 179.6° | 180.0° |
| C25 | C24 | C23 | H20 | 179.9° | 180.0° |
| H1 | C17 | C18 | H18 | 38.2° | 48.1° |
| H1 | C17 | C18 | H19 | 156.6° | 167.5° |
| H4 | C24 | C23 | H20 | 0.1° | 0.1° |
| H4 | C24 | C25 | H21 | 0.3° | 0.1° |
| H5 | C26 | C25 | H21 | 0.4° | 0.0° |
| H6 | C28 | C29 | H22 | 0.2° | 0.3° |
| H7 | C04 | C05 | H9 | 62.6° | 51.1° |
| H7 | C04 | C05 | H10 | 56.8° | 171.4° |
| H8 | C04 | C05 | H9 | 58.5° | 69.7° |
| H8 | C04 | C05 | H10 | 177.9° | 50.5° |
| H11 | C08 | C09 | H12 | 174.5° | 64.7° |
| H11 | C08 | C09 | H13 | 66.7° | 175.3° |
| H14 | N11 | C12 | H15 | 0.0° | 0.0° |
| H22 | C29 | C30 | H23 | 0.5° | 0.2° |
| H24 | N34 | C35 | H25 | 33.1° | 120.0° |
| H24 | N34 | C35 | H26 | 151.5° | 119.9° |
| H27 | C37 | C38 | H28 | 0.0° | 0.0° |
| H28 | C38 | C39 | H29 | 0.4° | 0.0° |
| H29 | C39 | C41 | H30 | 0.1° | 0.0° |
| H30 | C41 | C42 | H31 | 0.5° | 0.0° |
