89B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | doub | 1.38Å | 1.45Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.46Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.57Å | |
| C28 | N27 | sing | 1.46Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.47Å | |
| C20 | N21 | sing | 1.46Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.46Å | |
| N21 | C22 | sing | 1.33Å | 1.53Å | |
| N27 | C26 | sing | 1.35Å | 1.47Å | |
| O35 | C26 | doub | 1.21Å | 1.17Å | |
| C18 | C17 | sing | 1.53Å | 1.42Å | |
| C26 | C24 | sing | 1.51Å | 1.58Å | |
| C22 | C17 | sing | 1.50Å | 1.60Å | |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.59Å | |
| C16 | C15 | sing | 1.53Å | 1.61Å | |
| C24 | C15 | sing | 1.53Å | 1.61Å | |
| C24 | O25 | sing | 1.43Å | 1.45Å | |
| C15 | N14 | sing | 1.46Å | 1.51Å | |
| O36 | C13 | doub | 1.21Å | 1.17Å | |
| N14 | C13 | sing | 1.35Å | 1.46Å | |
| C13 | C04 | sing | 1.51Å | 1.59Å | |
| O01 | C02 | doub | 1.22Å | 1.17Å | |
| C02 | C37 | sing | 1.47Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.52Å | |
| C38 | C37 | doub | 1.36Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.46Å | 1.44Å | Aromatic |
| C04 | N03 | sing | 1.46Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.58Å | |
| C37 | O45 | sing | 1.35Å | 1.35Å | Aromatic |
| C39 | C40 | doub | 1.40Å | 1.43Å | Aromatic |
| C39 | C44 | sing | 1.41Å | 1.41Å | Aromatic |
| C40 | C41 | sing | 1.37Å | 1.37Å | Aromatic |
| O45 | C44 | sing | 1.35Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.60Å | |
| C44 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | doub | 1.39Å | 1.42Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.43Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.36Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| N21 | H20 | sing | 0.97Å | 1.00Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| O25 | H22 | sing | 0.97Å | 0.95Å | |
| N27 | H23 | sing | 0.97Å | 1.00Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| C42 | H34 | sing | 1.08Å | 1.08Å | |
| C43 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 119.9° | 120.0° |
| C31 | C32 | C33 | 120.2° | 120.0° |
| C32 | C31 | H27 | 120.1° | 120.0° |
| C31 | C32 | H28 | 119.9° | 120.0° |
| C31 | C30 | C29 | 119.8° | 120.0° |
| C31 | C30 | H26 | 120.1° | 120.0° |
| C30 | C31 | H27 | 120.1° | 120.0° |
| C32 | C33 | C34 | 120.1° | 120.0° |
| C33 | C32 | H28 | 119.9° | 120.0° |
| C32 | C33 | H29 | 120.0° | 120.0° |
| C30 | C29 | C34 | 120.1° | 120.0° |
| C30 | C29 | C28 | 120.3° | 120.0° |
| C29 | C30 | H26 | 120.1° | 120.0° |
| C33 | C34 | C29 | 119.9° | 120.0° |
| C34 | C33 | H29 | 120.0° | 120.0° |
| C33 | C34 | H30 | 120.0° | 120.0° |
| C34 | C29 | C28 | 119.6° | 120.0° |
| C29 | C34 | H30 | 120.0° | 120.0° |
| C29 | C28 | N27 | 109.9° | 109.5° |
| C29 | C28 | H24 | 109.4° | 109.4° |
| C29 | C28 | H25 | 109.4° | 109.4° |
| C28 | N27 | C26 | 119.9° | 120.0° |
| C28 | N27 | H23 | 120.0° | 120.0° |
| N27 | C28 | H24 | 109.4° | 109.5° |
| N27 | C28 | H25 | 109.4° | 109.5° |
| C19 | C20 | N21 | 114.3° | 110.4° |
| C20 | C19 | C18 | 113.4° | 108.7° |
| C20 | C19 | H16 | 108.5° | 109.6° |
| C20 | C19 | H17 | 108.5° | 109.7° |
| C19 | C20 | H18 | 108.2° | 109.3° |
| C19 | C20 | H19 | 108.3° | 109.3° |
| C20 | N21 | C22 | 117.7° | 124.1° |
| N21 | C20 | H18 | 108.3° | 109.2° |
| N21 | C20 | H19 | 108.2° | 109.3° |
| C20 | N21 | H20 | 121.1° | 117.9° |
| C19 | C18 | C17 | 115.0° | 108.4° |
| C19 | C18 | H14 | 108.1° | 109.6° |
| C19 | C18 | H15 | 108.1° | 109.7° |
| C18 | C19 | H16 | 108.5° | 109.6° |
| C18 | C19 | H17 | 108.5° | 109.6° |
| N21 | C22 | C17 | 117.9° | 123.6° |
| N21 | C22 | O23 | 120.5° | 118.2° |
| C22 | N21 | H20 | 121.1° | 118.0° |
| N27 | C26 | O35 | 119.7° | 120.0° |
| N27 | C26 | C24 | 120.6° | 120.0° |
| C26 | N27 | H23 | 120.0° | 120.0° |
| O35 | C26 | C24 | 119.7° | 120.0° |
| C18 | C17 | C22 | 114.5° | 109.8° |
| C18 | C17 | C16 | 107.5° | 109.4° |
| C18 | C17 | H13 | 109.8° | 109.4° |
| C17 | C18 | H14 | 108.1° | 109.7° |
| C17 | C18 | H15 | 108.1° | 109.7° |
| C26 | C24 | C15 | 113.1° | 109.5° |
| C26 | C24 | O25 | 112.0° | 109.5° |
| C26 | C24 | H21 | 106.5° | 109.4° |
| C17 | C22 | O23 | 121.6° | 118.2° |
| C22 | C17 | C16 | 109.6° | 109.4° |
| C22 | C17 | H13 | 107.6° | 109.4° |
| C17 | C16 | C15 | 113.8° | 109.5° |
| C17 | C16 | H11 | 108.4° | 109.5° |
| C17 | C16 | H12 | 108.4° | 109.4° |
| C16 | C17 | H13 | 107.6° | 109.4° |
| C16 | C15 | C24 | 113.7° | 109.5° |
| C16 | C15 | N14 | 113.6° | 109.5° |
| C16 | C15 | H10 | 106.1° | 109.5° |
| C15 | C16 | H11 | 108.4° | 109.5° |
| C15 | C16 | H12 | 108.4° | 109.4° |
| C15 | C24 | O25 | 110.8° | 109.5° |
| C24 | C15 | N14 | 109.6° | 109.5° |
| C24 | C15 | H10 | 106.1° | 109.4° |
| C15 | C24 | H21 | 106.2° | 109.5° |
| O25 | C24 | H21 | 108.0° | 109.5° |
| C24 | O25 | H22 | 109.5° | 114.0° |
| C15 | N14 | C13 | 124.7° | 120.0° |
| C15 | N14 | H9 | 117.6° | 120.0° |
| N14 | C15 | H10 | 107.2° | 109.5° |
| O36 | C13 | N14 | 122.5° | 120.0° |
| O36 | C13 | C04 | 119.2° | 120.0° |
| N14 | C13 | C04 | 118.3° | 120.0° |
| C13 | N14 | H9 | 117.6° | 120.0° |
| C13 | C04 | N03 | 115.0° | 109.5° |
| C13 | C04 | C05 | 112.7° | 109.5° |
| C13 | C04 | H2 | 104.8° | 109.5° |
| O01 | C02 | C37 | 121.5° | 119.9° |
| O01 | C02 | N03 | 120.0° | 120.0° |
| C37 | C02 | N03 | 118.5° | 120.0° |
| C02 | C37 | C38 | 127.7° | 125.2° |
| C02 | C37 | O45 | 124.7° | 125.1° |
| C02 | N03 | C04 | 120.7° | 120.0° |
| C02 | N03 | H1 | 119.7° | 120.0° |
| C37 | C38 | C39 | 107.5° | 106.1° |
| C38 | C37 | O45 | 107.6° | 109.7° |
| C37 | C38 | H31 | 126.2° | 126.9° |
| C38 | C39 | C40 | 136.0° | 134.1° |
| C38 | C39 | C44 | 104.4° | 105.7° |
| C39 | C38 | H31 | 126.2° | 127.0° |
| N03 | C04 | C05 | 112.7° | 109.5° |
| C04 | N03 | H1 | 119.7° | 120.0° |
| N03 | C04 | H2 | 105.6° | 109.4° |
| C04 | C05 | C06 | 113.7° | 109.5° |
| C05 | C04 | H2 | 104.9° | 109.5° |
| C04 | C05 | H3 | 108.4° | 109.4° |
| C04 | C05 | H4 | 108.4° | 109.4° |
| C37 | O45 | C44 | 110.6° | 110.9° |
| C40 | C39 | C44 | 119.6° | 120.1° |
| C39 | C40 | C41 | 120.0° | 119.6° |
| C39 | C40 | H32 | 120.0° | 120.2° |
| C39 | C44 | O45 | 109.9° | 107.6° |
| C39 | C44 | C43 | 120.2° | 119.2° |
| C40 | C41 | C42 | 120.0° | 120.5° |
| C41 | C40 | H32 | 120.0° | 120.2° |
| C40 | C41 | H33 | 120.0° | 119.7° |
| O45 | C44 | C43 | 129.9° | 133.2° |
| C05 | C06 | C12 | 120.3° | 120.0° |
| C05 | C06 | C07 | 119.6° | 120.0° |
| C06 | C05 | H3 | 108.4° | 109.5° |
| C06 | C05 | H4 | 108.4° | 109.5° |
| C44 | C43 | C42 | 120.2° | 119.8° |
| C44 | C43 | H35 | 119.9° | 120.1° |
| C41 | C42 | C43 | 120.0° | 120.8° |
| C42 | C41 | H33 | 120.0° | 119.8° |
| C41 | C42 | H34 | 120.0° | 119.6° |
| C43 | C42 | H34 | 120.0° | 119.6° |
| C42 | C43 | H35 | 119.9° | 120.1° |
| C12 | C06 | C07 | 120.1° | 120.0° |
| C06 | C12 | C11 | 120.0° | 120.0° |
| C06 | C12 | H8 | 120.0° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C06 | C07 | H5 | 119.9° | 120.0° |
| C12 | C11 | C09 | 119.9° | 120.0° |
| C12 | C11 | H7 | 120.0° | 120.0° |
| C11 | C12 | H8 | 120.0° | 120.0° |
| C07 | C08 | C09 | 119.8° | 119.9° |
| C08 | C07 | H5 | 120.0° | 120.0° |
| C07 | C08 | H6 | 120.1° | 120.0° |
| C11 | C09 | C08 | 120.1° | 120.0° |
| C11 | C09 | F10 | 120.1° | 120.0° |
| C09 | C11 | H7 | 120.1° | 120.0° |
| C08 | C09 | F10 | 119.8° | 120.0° |
| C09 | C08 | H6 | 120.1° | 120.0° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H11 | C16 | H12 | 109.4° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.7° |
| H16 | C19 | H17 | 109.4° | 109.6° |
| H18 | C20 | H19 | 109.5° | 109.2° |
| H24 | C28 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | H28 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.1° | 0.1° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H26 | 179.9° | 180.0° |
| C31 | C32 | C33 | H29 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C29 | H26 | 180.0° | 179.9° |
| C31 | C30 | C29 | C34 | 0.2° | 0.1° |
| C31 | C30 | C29 | C28 | 179.9° | 179.7° |
| C30 | C31 | C32 | H28 | 179.9° | 179.9° |
| C32 | C33 | C34 | H29 | 180.0° | 180.0° |
| C32 | C33 | C34 | C29 | 0.2° | 0.0° |
| C33 | C32 | C31 | H27 | 179.9° | 179.9° |
| C32 | C33 | C34 | H30 | 179.9° | 179.8° |
| C30 | C29 | C34 | C33 | 0.2° | 0.1° |
| C30 | C29 | C34 | C28 | 179.8° | 179.6° |
| C30 | C29 | C28 | N27 | 138.2° | 89.7° |
| C30 | C29 | C28 | H24 | 18.2° | 150.4° |
| C30 | C29 | C28 | H25 | 101.7° | 30.3° |
| C29 | C30 | C31 | H27 | 179.9° | 179.9° |
| C30 | C29 | C34 | H30 | 179.8° | 179.7° |
| C33 | C34 | C29 | H30 | 180.0° | 179.8° |
| C33 | C34 | C29 | C28 | 179.9° | 179.7° |
| C34 | C33 | C32 | H28 | 179.9° | 179.9° |
| C34 | C29 | C28 | N27 | 41.5° | 89.9° |
| C34 | C29 | C28 | H24 | 161.6° | 30.0° |
| C34 | C29 | C28 | H25 | 78.5° | 150.0° |
| C34 | C29 | C30 | H26 | 179.9° | 180.0° |
| C29 | C34 | C33 | H29 | 179.8° | 180.0° |
| C29 | C28 | N27 | H24 | 120.1° | 119.9° |
| C29 | C28 | N27 | H25 | 120.1° | 120.0° |
| C29 | C28 | N27 | C26 | 81.7° | 180.0° |
| C29 | C28 | N27 | H23 | 98.3° | 0.0° |
| C29 | C28 | H24 | H25 | 119.8° | 120.0° |
| C28 | C29 | C30 | H26 | 0.1° | 0.4° |
| C28 | C29 | C34 | H30 | 0.1° | 0.1° |
| C28 | N27 | C26 | H23 | 180.0° | 179.9° |
| C28 | N27 | C26 | O35 | 0.1° | 0.1° |
| C28 | N27 | C26 | C24 | 179.8° | 180.0° |
| N27 | C28 | H24 | H25 | 119.8° | 120.1° |
| C19 | C20 | N21 | H18 | 120.7° | 120.3° |
| C19 | C20 | N21 | H19 | 120.7° | 120.3° |
| C20 | C19 | C18 | H16 | 120.6° | 119.8° |
| C20 | C19 | C18 | H17 | 120.6° | 119.9° |
| C19 | C20 | N21 | C22 | 18.7° | 19.1° |
| C20 | C19 | C18 | C17 | 63.0° | 67.5° |
| C20 | C19 | C18 | H14 | 57.8° | 52.2° |
| C20 | C19 | C18 | H15 | 176.2° | 172.7° |
| C20 | C19 | H16 | H17 | 118.2° | 120.4° |
| C19 | C20 | H18 | H19 | 117.8° | 119.5° |
| C19 | C20 | N21 | H20 | 161.3° | 161.0° |
| N21 | C20 | C19 | C18 | 49.6° | 50.7° |
| C20 | N21 | C22 | H20 | 180.0° | 179.9° |
| C20 | N21 | C22 | C17 | 0.6° | 2.4° |
| C20 | N21 | C22 | O23 | 179.8° | 177.8° |
| N21 | C20 | C19 | H16 | 170.2° | 170.5° |
| N21 | C20 | C19 | H17 | 71.0° | 69.2° |
| N21 | C20 | H18 | H19 | 117.8° | 119.5° |
| C19 | C18 | C17 | H14 | 120.8° | 119.7° |
| C19 | C18 | C17 | H15 | 120.8° | 119.8° |
| C19 | C18 | C17 | C22 | 40.8° | 48.9° |
| C19 | C18 | C17 | C16 | 81.3° | 169.0° |
| C19 | C18 | C17 | H13 | 161.9° | 71.2° |
| C19 | C18 | H14 | H15 | 117.5° | 120.5° |
| C18 | C19 | H16 | H17 | 118.2° | 120.3° |
| C18 | C19 | C20 | H18 | 170.3° | 69.5° |
| C18 | C19 | C20 | H19 | 71.1° | 171.1° |
| N21 | C22 | C17 | C18 | 10.0° | 17.7° |
| N21 | C22 | C17 | O23 | 179.2° | 179.8° |
| N21 | C22 | C17 | C16 | 110.8° | 137.8° |
| N21 | C22 | C17 | H13 | 132.4° | 102.3° |
| C22 | N21 | C20 | H18 | 139.4° | 101.1° |
| C22 | N21 | C20 | H19 | 102.0° | 139.5° |
| N27 | C26 | O35 | C24 | 179.8° | 179.9° |
| N27 | C26 | C24 | C15 | 83.8° | 64.9° |
| N27 | C26 | C24 | O25 | 42.2° | 175.0° |
| N27 | C26 | C24 | H21 | 160.0° | 55.1° |
| C26 | N27 | C28 | H24 | 38.4° | 60.1° |
| C26 | N27 | C28 | H25 | 158.3° | 60.0° |
| O35 | C26 | C24 | C15 | 96.0° | 115.0° |
| O35 | C26 | C24 | O25 | 138.0° | 5.1° |
| O35 | C26 | C24 | H21 | 20.2° | 125.0° |
| O35 | C26 | N27 | H23 | 180.0° | 180.0° |
| C18 | C17 | C22 | C16 | 120.8° | 120.1° |
| C18 | C17 | C22 | H13 | 122.4° | 120.1° |
| C18 | C17 | C22 | O23 | 169.2° | 162.5° |
| C18 | C17 | C16 | H13 | 118.2° | 119.8° |
| C18 | C17 | C16 | C15 | 167.9° | 171.2° |
| C18 | C17 | C16 | H11 | 47.3° | 68.7° |
| C18 | C17 | C16 | H12 | 71.4° | 51.3° |
| C17 | C18 | H14 | H15 | 117.5° | 120.5° |
| C17 | C18 | C19 | H16 | 176.4° | 172.7° |
| C17 | C18 | C19 | H17 | 57.6° | 52.4° |
| C26 | C24 | C15 | C16 | 38.9° | 175.0° |
| C26 | C24 | C15 | O25 | 126.6° | 120.0° |
| C26 | C24 | C15 | H21 | 116.4° | 119.9° |
| C26 | C24 | O25 | H21 | 116.9° | 119.9° |
| C26 | C24 | C15 | N14 | 167.3° | 55.0° |
| C26 | C24 | C15 | H10 | 77.3° | 65.0° |
| C26 | C24 | O25 | H22 | 180.0° | 60.1° |
| C24 | C26 | N27 | H23 | 0.2° | 0.1° |
| C22 | C17 | C16 | H13 | 116.8° | 119.8° |
| C22 | C17 | C16 | C15 | 67.1° | 68.4° |
| C22 | C17 | C16 | H11 | 172.3° | 51.6° |
| C22 | C17 | C16 | H12 | 53.6° | 171.6° |
| C22 | C17 | C18 | H14 | 80.0° | 70.8° |
| C22 | C17 | C18 | H15 | 161.6° | 168.7° |
| C17 | C22 | N21 | H20 | 179.4° | 177.7° |
| O23 | C22 | C17 | C16 | 70.0° | 42.4° |
| O23 | C22 | C17 | H13 | 46.8° | 77.4° |
| O23 | C22 | N21 | H20 | 0.2° | 2.1° |
| C17 | C16 | C15 | H11 | 120.7° | 120.0° |
| C17 | C16 | C15 | H12 | 120.7° | 119.9° |
| C17 | C16 | C15 | C24 | 173.5° | 173.4° |
| C17 | C16 | C15 | N14 | 60.2° | 66.6° |
| C17 | C16 | C15 | H10 | 57.3° | 53.4° |
| C17 | C16 | H11 | H12 | 118.1° | 120.0° |
| C16 | C17 | C18 | H14 | 157.9° | 49.3° |
| C16 | C17 | C18 | H15 | 39.6° | 71.2° |
| C16 | C15 | C24 | N14 | 128.4° | 120.0° |
| C16 | C15 | C24 | H10 | 116.3° | 120.0° |
| C16 | C15 | C24 | O25 | 165.6° | 55.0° |
| C16 | C15 | N14 | H10 | 116.9° | 120.0° |
| C16 | C15 | N14 | C13 | 24.8° | 85.0° |
| C16 | C15 | N14 | H9 | 155.2° | 95.0° |
| C15 | C16 | H11 | H12 | 118.0° | 120.0° |
| C15 | C16 | C17 | H13 | 49.7° | 51.4° |
| C16 | C15 | C24 | H21 | 77.4° | 65.0° |
| C15 | C24 | O25 | H21 | 115.9° | 120.1° |
| C24 | C15 | N14 | H10 | 114.7° | 120.0° |
| C24 | C15 | N14 | C13 | 103.6° | 155.0° |
| C24 | C15 | N14 | H9 | 76.3° | 25.0° |
| C24 | C15 | C16 | H11 | 65.8° | 53.4° |
| C24 | C15 | C16 | H12 | 52.9° | 66.6° |
| C15 | C24 | O25 | H22 | 52.7° | 60.0° |
| O25 | C24 | C15 | N14 | 66.1° | 65.0° |
| O25 | C24 | C15 | H10 | 49.3° | 175.0° |
| C15 | N14 | C13 | O36 | 0.6° | 0.0° |
| C15 | N14 | C13 | H9 | 180.0° | 180.0° |
| C15 | N14 | C13 | C04 | 180.0° | 180.0° |
| N14 | C15 | C16 | H11 | 60.4° | 173.4° |
| N14 | C15 | C16 | H12 | 179.1° | 53.4° |
| N14 | C15 | C24 | H21 | 50.9° | 175.0° |
| O36 | C13 | N14 | C04 | 179.4° | 180.0° |
| O36 | C13 | C04 | N03 | 28.4° | 0.0° |
| O36 | C13 | C04 | C05 | 102.7° | 120.0° |
| O36 | C13 | C04 | H2 | 143.8° | 120.0° |
| O36 | C13 | N14 | H9 | 179.4° | 180.0° |
| N14 | C13 | C04 | N03 | 152.2° | 180.0° |
| N14 | C13 | C04 | C05 | 76.7° | 60.0° |
| N14 | C13 | C04 | H2 | 36.7° | 60.0° |
| C13 | N14 | C15 | H10 | 141.6° | 35.0° |
| C13 | C04 | N03 | C02 | 68.2° | 155.0° |
| C13 | C04 | N03 | C05 | 131.1° | 120.1° |
| C13 | C04 | N03 | H2 | 115.0° | 120.0° |
| C13 | C04 | C05 | H2 | 113.4° | 120.0° |
| C13 | C04 | C05 | C06 | 163.8° | 175.0° |
| C13 | C04 | N03 | H1 | 111.7° | 25.0° |
| C13 | C04 | C05 | H3 | 75.6° | 65.0° |
| C13 | C04 | C05 | H4 | 43.1° | 55.0° |
| C04 | C13 | N14 | H9 | 0.0° | 0.0° |
| O01 | C02 | C37 | N03 | 179.8° | 179.7° |
| O01 | C02 | C37 | C38 | 5.0° | 0.3° |
| O01 | C02 | N03 | C04 | 0.2° | 0.0° |
| O01 | C02 | C37 | O45 | 174.8° | 180.0° |
| O01 | C02 | N03 | H1 | 179.8° | 180.0° |
| C02 | C37 | C38 | O45 | 179.8° | 179.8° |
| C02 | C37 | C38 | C39 | 179.8° | 180.0° |
| C37 | C02 | N03 | C04 | 179.9° | 179.7° |
| C02 | C37 | O45 | C44 | 179.9° | 179.8° |
| C37 | C02 | N03 | H1 | 0.1° | 0.3° |
| C02 | C37 | C38 | H31 | 0.2° | 0.0° |
| N03 | C02 | C37 | C38 | 174.9° | 180.0° |
| C02 | N03 | C04 | H1 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 160.7° | 85.0° |
| N03 | C02 | C37 | O45 | 5.4° | 0.3° |
| C02 | N03 | C04 | H2 | 46.7° | 35.0° |
| C37 | C38 | C39 | H31 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 179.9° | 180.0° |
| C37 | C38 | C39 | C44 | 0.0° | 0.0° |
| C38 | C37 | O45 | C44 | 0.1° | 0.4° |
| C39 | C38 | C37 | O45 | 0.1° | 0.3° |
| C38 | C39 | C40 | C44 | 179.9° | 180.0° |
| C38 | C39 | C40 | C41 | 180.0° | 180.0° |
| C38 | C39 | C44 | O45 | 0.0° | 0.3° |
| C38 | C39 | C44 | C43 | 180.0° | 180.0° |
| C38 | C39 | C40 | H32 | 0.0° | 0.1° |
| N03 | C04 | C05 | H2 | 114.4° | 119.9° |
| N03 | C04 | C05 | C06 | 64.0° | 65.0° |
| N03 | C04 | C05 | H3 | 56.6° | 55.1° |
| N03 | C04 | C05 | H4 | 175.4° | 175.0° |
| C04 | C05 | C06 | H3 | 120.6° | 120.0° |
| C04 | C05 | C06 | H4 | 120.6° | 120.0° |
| C04 | C05 | C06 | C12 | 56.1° | 90.0° |
| C04 | C05 | C06 | C07 | 124.1° | 89.7° |
| C05 | C04 | N03 | H1 | 19.3° | 95.1° |
| C04 | C05 | H3 | H4 | 118.1° | 120.0° |
| C37 | O45 | C44 | C39 | 0.1° | 0.4° |
| C37 | O45 | C44 | C43 | 179.9° | 179.9° |
| O45 | C37 | C38 | H31 | 179.9° | 179.8° |
| C39 | C40 | C41 | H32 | 180.0° | 179.9° |
| C40 | C39 | C44 | O45 | 180.0° | 179.7° |
| C40 | C39 | C44 | C43 | 0.0° | 0.0° |
| C39 | C40 | C41 | C42 | 0.0° | 0.0° |
| C40 | C39 | C38 | H31 | 0.1° | 0.1° |
| C39 | C40 | C41 | H33 | 180.0° | 180.0° |
| C44 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C44 | O45 | C43 | 180.0° | 179.7° |
| C39 | C44 | C43 | C42 | 0.0° | 0.0° |
| C44 | C39 | C38 | H31 | 180.0° | 180.0° |
| C44 | C39 | C40 | H32 | 180.0° | 180.0° |
| C39 | C44 | C43 | H35 | 180.0° | 180.0° |
| C40 | C41 | C42 | H33 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.0° | 0.0° |
| C40 | C41 | C42 | H34 | 179.9° | 180.0° |
| O45 | C44 | C43 | C42 | 180.0° | 179.6° |
| O45 | C44 | C43 | H35 | 0.0° | 0.3° |
| C05 | C06 | C12 | C07 | 179.8° | 179.7° |
| C05 | C06 | C12 | C11 | 179.9° | 179.7° |
| C05 | C06 | C07 | C08 | 179.8° | 180.0° |
| C06 | C05 | C04 | H2 | 50.4° | 54.9° |
| C06 | C05 | H3 | H4 | 118.1° | 120.0° |
| C05 | C06 | C07 | H5 | 0.1° | 0.0° |
| C05 | C06 | C12 | H8 | 0.1° | 0.0° |
| C44 | C43 | C42 | C41 | 0.1° | 0.0° |
| C44 | C43 | C42 | H35 | 180.0° | 180.0° |
| C44 | C43 | C42 | H34 | 179.9° | 180.0° |
| C41 | C42 | C43 | H34 | 180.0° | 180.0° |
| C42 | C41 | C40 | H32 | 180.0° | 180.0° |
| C41 | C42 | C43 | H35 | 180.0° | 180.0° |
| C43 | C42 | C41 | H33 | 179.9° | 180.0° |
| C06 | C12 | C11 | H8 | 180.0° | 179.7° |
| C12 | C06 | C07 | C08 | 0.0° | 0.2° |
| C06 | C12 | C11 | C09 | 0.0° | 0.5° |
| C12 | C06 | C05 | H3 | 176.8° | 30.0° |
| C12 | C06 | C05 | H4 | 64.5° | 150.0° |
| C12 | C06 | C07 | H5 | 179.9° | 179.8° |
| C06 | C12 | C11 | H7 | 180.0° | 179.7° |
| C07 | C06 | C12 | C11 | 0.1° | 0.5° |
| C06 | C07 | C08 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.1° | 0.1° |
| C07 | C06 | C05 | H3 | 3.4° | 150.3° |
| C07 | C06 | C05 | H4 | 115.3° | 30.2° |
| C06 | C07 | C08 | H6 | 179.9° | 180.0° |
| C07 | C06 | C12 | H8 | 179.9° | 179.7° |
| C12 | C11 | C09 | H7 | 180.0° | 179.8° |
| C12 | C11 | C09 | C08 | 0.1° | 0.2° |
| C12 | C11 | C09 | F10 | 179.9° | 179.7° |
| C07 | C08 | C09 | C11 | 0.2° | 0.1° |
| C07 | C08 | C09 | H6 | 180.0° | 179.9° |
| C07 | C08 | C09 | F10 | 179.9° | 180.0° |
| C11 | C09 | C08 | F10 | 179.8° | 180.0° |
| C11 | C09 | C08 | H6 | 179.9° | 180.0° |
| C09 | C11 | C12 | H8 | 180.0° | 179.7° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C08 | C09 | C11 | H7 | 179.8° | 180.0° |
| F10 | C09 | C08 | H6 | 0.1° | 0.0° |
| F10 | C09 | C11 | H7 | 0.1° | 0.0° |
| H1 | N03 | C04 | H2 | 133.3° | 145.0° |
| H2 | C04 | C05 | H3 | 171.0° | 175.0° |
| H2 | C04 | C05 | H4 | 70.3° | 65.0° |
| H5 | C07 | C08 | H6 | 0.0° | 0.0° |
| H7 | C11 | C12 | H8 | 0.0° | 0.0° |
| H9 | N14 | C15 | H10 | 38.4° | 144.9° |
| H10 | C15 | C16 | H11 | 177.9° | 66.6° |
| H10 | C15 | C16 | H12 | 63.4° | 173.4° |
| H10 | C15 | C24 | H21 | 166.3° | 55.0° |
| H11 | C16 | C17 | H13 | 70.9° | 171.5° |
| H12 | C16 | C17 | H13 | 170.3° | 68.5° |
| H13 | C17 | C18 | H14 | 41.1° | 169.1° |
| H13 | C17 | C18 | H15 | 77.2° | 48.7° |
| H14 | C18 | C19 | H16 | 62.8° | 67.6° |
| H14 | C18 | C19 | H17 | 178.4° | 172.1° |
| H15 | C18 | C19 | H16 | 55.6° | 52.9° |
| H15 | C18 | C19 | H17 | 63.2° | 67.4° |
| H16 | C19 | C20 | H18 | 69.1° | 50.3° |
| H16 | C19 | C20 | H19 | 49.4° | 69.1° |
| H17 | C19 | C20 | H18 | 49.7° | 170.6° |
| H17 | C19 | C20 | H19 | 168.3° | 51.2° |
| H18 | C20 | N21 | H20 | 40.6° | 78.8° |
| H19 | C20 | N21 | H20 | 78.0° | 40.6° |
| H21 | C24 | O25 | H22 | 63.1° | 180.0° |
| H23 | N27 | C28 | H24 | 141.6° | 120.0° |
| H23 | N27 | C28 | H25 | 21.7° | 119.9° |
| H26 | C30 | C31 | H27 | 0.1° | 0.0° |
| H27 | C31 | C32 | H28 | 0.1° | 0.0° |
| H28 | C32 | C33 | H29 | 0.1° | 0.1° |
| H29 | C33 | C34 | H30 | 0.2° | 0.3° |
| H32 | C40 | C41 | H33 | 0.0° | 0.1° |
| H33 | C41 | C42 | H34 | 0.1° | 0.1° |
| H34 | C42 | C43 | H35 | 0.1° | 0.0° |
