659
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.52Å | |
| C1 | O5 | sing | 1.44Å | 1.47Å | |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C2 | F6 | sing | 1.40Å | 1.39Å | |
| C3 | C4 | sing | 1.54Å | 1.51Å | |
| C3 | O7 | sing | 1.43Å | 1.42Å | |
| C4 | O5 | sing | 1.44Å | 1.47Å | |
| C4 | N29 | sing | 1.46Å | 1.46Å | |
| C8 | C28 | doub | 1.31Å | 1.30Å | |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | O22 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C15 | sing | 1.48Å | 1.46Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C24 | sing | 1.48Å | 1.48Å | |
| C14 | O21 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | F23 | sing | 1.35Å | 1.34Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.33Å | |
| C24 | O26 | doub | 1.22Å | 1.23Å | |
| N25 | C27 | sing | 1.47Å | 1.45Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| N29 | C31 | sing | 1.36Å | 1.36Å | Aromatic |
| N29 | C33 | sing | 1.37Å | 1.36Å | Aromatic |
| N30 | C31 | doub | 1.30Å | 1.31Å | Aromatic |
| N30 | C32 | sing | 1.35Å | 1.37Å | Aromatic |
| C32 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| C32 | C37 | sing | 1.41Å | 1.40Å | Aromatic |
| C33 | N34 | sing | 1.33Å | 1.32Å | Aromatic |
| N34 | C35 | doub | 1.32Å | 1.33Å | Aromatic |
| C35 | N36 | sing | 1.32Å | 1.33Å | Aromatic |
| N36 | C37 | doub | 1.33Å | 1.33Å | Aromatic |
| C37 | N38 | sing | 1.38Å | 1.39Å | |
| N38 | C39 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| N38 | HN38 | sing | 0.97Å | 1.00Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 105.0° | 104.8° |
| C2 | C1 | C8 | 113.7° | 110.4° |
| C1 | C2 | C3 | 98.2° | 104.1° |
| C1 | C2 | F6 | 108.5° | 110.5° |
| C2 | C1 | H1 | 109.5° | 110.4° |
| C1 | C2 | H2 | 117.1° | 110.5° |
| O5 | C1 | C8 | 108.9° | 110.4° |
| C1 | O5 | C4 | 107.0° | 105.3° |
| O5 | C1 | H1 | 114.3° | 110.4° |
| C1 | C8 | C28 | 122.5° | 120.0° |
| C8 | C1 | H1 | 105.6° | 110.4° |
| C1 | C8 | H8 | 118.8° | 120.0° |
| C3 | C2 | F6 | 109.8° | 110.5° |
| C2 | C3 | C4 | 99.8° | 104.1° |
| C2 | C3 | O7 | 111.7° | 110.5° |
| C3 | C2 | H2 | 116.0° | 110.6° |
| C2 | C3 | H3 | 114.2° | 110.5° |
| F6 | C2 | H2 | 106.9° | 110.6° |
| C4 | C3 | O7 | 109.4° | 110.6° |
| C3 | C4 | O5 | 104.2° | 104.8° |
| C3 | C4 | N29 | 112.9° | 110.4° |
| C4 | C3 | H3 | 116.4° | 110.5° |
| C3 | C4 | H4 | 109.4° | 110.4° |
| O7 | C3 | H3 | 105.4° | 110.5° |
| C3 | O7 | HO7 | 109.5° | 114.0° |
| O5 | C4 | N29 | 104.9° | 110.4° |
| O5 | C4 | H4 | 116.8° | 110.3° |
| C4 | N29 | C31 | 128.0° | 126.2° |
| C4 | N29 | C33 | 122.4° | 126.3° |
| N29 | C4 | H4 | 108.7° | 110.4° |
| C8 | C28 | C27 | 124.4° | 120.0° |
| C28 | C8 | H8 | 118.7° | 120.0° |
| C8 | C28 | H28 | 117.8° | 120.0° |
| C10 | C9 | C14 | 121.9° | 120.1° |
| C10 | C9 | O22 | 120.8° | 119.9° |
| C9 | C10 | C11 | 120.0° | 120.2° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C14 | C9 | O22 | 117.3° | 120.0° |
| C9 | C14 | C13 | 118.3° | 119.9° |
| C9 | C14 | O21 | 116.6° | 120.0° |
| C9 | O22 | HO22 | 109.5° | 114.0° |
| C10 | C11 | C12 | 117.3° | 120.1° |
| C10 | C11 | C15 | 121.2° | 119.9° |
| C11 | C10 | H10 | 120.0° | 119.9° |
| C12 | C11 | C15 | 121.4° | 120.0° |
| C11 | C12 | C13 | 121.9° | 119.9° |
| C11 | C12 | H12 | 119.0° | 120.1° |
| C11 | C15 | C16 | 120.6° | 120.1° |
| C11 | C15 | C20 | 119.6° | 120.1° |
| C12 | C13 | C14 | 120.5° | 119.8° |
| C12 | C13 | C24 | 117.4° | 120.1° |
| C13 | C12 | H12 | 119.0° | 120.1° |
| C14 | C13 | C24 | 122.1° | 120.1° |
| C13 | C14 | O21 | 125.0° | 120.0° |
| C13 | C24 | N25 | 119.7° | 120.0° |
| C13 | C24 | O26 | 120.6° | 120.0° |
| C14 | O21 | HO21 | 109.5° | 114.0° |
| C16 | C15 | C20 | 119.7° | 119.8° |
| C15 | C16 | C17 | 122.7° | 119.9° |
| C15 | C16 | H16 | 118.7° | 120.0° |
| C15 | C20 | C19 | 118.7° | 119.9° |
| C15 | C20 | H20 | 120.7° | 120.0° |
| C16 | C17 | C18 | 116.8° | 120.1° |
| C17 | C16 | H16 | 118.7° | 120.0° |
| C16 | C17 | H17 | 121.6° | 120.0° |
| C17 | C18 | C19 | 122.3° | 120.2° |
| C17 | C18 | F23 | 119.0° | 119.9° |
| C18 | C17 | H17 | 121.6° | 120.0° |
| C19 | C18 | F23 | 118.5° | 119.9° |
| C18 | C19 | C20 | 119.4° | 120.1° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C20 | C19 | H19 | 120.3° | 120.0° |
| C19 | C20 | H20 | 120.6° | 120.0° |
| N25 | C24 | O26 | 119.7° | 120.0° |
| C24 | N25 | C27 | 120.4° | 120.0° |
| C24 | N25 | HN25 | 119.8° | 120.0° |
| N25 | C27 | C28 | 107.7° | 109.5° |
| C27 | N25 | HN25 | 119.8° | 120.0° |
| N25 | C27 | H27 | 110.1° | 109.5° |
| N25 | C27 | H27A | 110.1° | 109.5° |
| C28 | C27 | H27 | 110.1° | 109.5° |
| C28 | C27 | H27A | 110.0° | 109.4° |
| C27 | C28 | H28 | 117.8° | 120.0° |
| C31 | N29 | C33 | 108.8° | 107.5° |
| N29 | C31 | N30 | 110.4° | 109.9° |
| N29 | C31 | H31 | 124.8° | 125.0° |
| N29 | C33 | C32 | 105.1° | 106.0° |
| N29 | C33 | N34 | 132.7° | 134.9° |
| C31 | N30 | C32 | 107.5° | 109.4° |
| N30 | C31 | H31 | 124.8° | 125.0° |
| N30 | C32 | C33 | 108.2° | 107.2° |
| N30 | C32 | C37 | 134.9° | 134.6° |
| C33 | C32 | C37 | 116.9° | 118.2° |
| C32 | C33 | N34 | 122.1° | 119.1° |
| C32 | C37 | N36 | 118.9° | 118.4° |
| C32 | C37 | N38 | 124.5° | 120.8° |
| C33 | N34 | C35 | 117.2° | 120.7° |
| N34 | C35 | N36 | 124.4° | 122.4° |
| N34 | C35 | H35 | 117.8° | 118.8° |
| C35 | N36 | C37 | 120.2° | 121.2° |
| N36 | C35 | H35 | 117.8° | 118.7° |
| N36 | C37 | N38 | 116.6° | 120.8° |
| C37 | N38 | C39 | 119.6° | 120.0° |
| C37 | N38 | HN38 | 106.2° | 120.0° |
| C39 | N38 | HN38 | 106.2° | 120.0° |
| N38 | C39 | H39 | 109.5° | 109.5° |
| N38 | C39 | H39A | 109.4° | 109.4° |
| N38 | C39 | H39B | 109.5° | 109.5° |
| H27 | C27 | H27A | 108.9° | 109.5° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H39 | C39 | H39B | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | C8 | 122.1° | 118.9° |
| C2 | C1 | O5 | H1 | 120.0° | 118.8° |
| C2 | C1 | C8 | H1 | 120.1° | 122.3° |
| C1 | C2 | C3 | F6 | 113.1° | 118.6° |
| C1 | C2 | C3 | H2 | 125.7° | 118.6° |
| C1 | C2 | F6 | H2 | 127.2° | 122.6° |
| C1 | C2 | C3 | C4 | 49.4° | 0.0° |
| C1 | C2 | C3 | O7 | 165.0° | 118.7° |
| C2 | C1 | O5 | C4 | 15.1° | 40.5° |
| C2 | C1 | C8 | C28 | 156.0° | 125.0° |
| C1 | C2 | C3 | H3 | 75.5° | 118.7° |
| C2 | C1 | C8 | H8 | 24.1° | 54.9° |
| O5 | C1 | C8 | H1 | 123.2° | 122.3° |
| O5 | C1 | C2 | C3 | 40.1° | 24.0° |
| O5 | C1 | C2 | F6 | 154.3° | 94.7° |
| C1 | O5 | C4 | C3 | 17.0° | 40.5° |
| C1 | O5 | C4 | N29 | 135.8° | 159.4° |
| O5 | C1 | C8 | C28 | 87.4° | 9.6° |
| O5 | C1 | C2 | H2 | 84.7° | 142.7° |
| C1 | O5 | C4 | H4 | 103.8° | 78.4° |
| O5 | C1 | C8 | H8 | 92.6° | 170.3° |
| C8 | C1 | C2 | C3 | 78.8° | 142.8° |
| C8 | C1 | C2 | F6 | 35.4° | 24.2° |
| C8 | C1 | O5 | C4 | 107.0° | 159.3° |
| C1 | C8 | C28 | H8 | 180.0° | 179.9° |
| C1 | C8 | C28 | C27 | 178.7° | 179.9° |
| C8 | C1 | C2 | H2 | 156.4° | 98.5° |
| C1 | C8 | C28 | H28 | 1.3° | 0.0° |
| C3 | C2 | F6 | H2 | 126.6° | 122.7° |
| C2 | C3 | C4 | O7 | 117.3° | 118.7° |
| C2 | C3 | C4 | H3 | 123.4° | 118.6° |
| C2 | C3 | O7 | H3 | 124.6° | 122.6° |
| C2 | C3 | C4 | O5 | 41.9° | 23.9° |
| C2 | C3 | C4 | N29 | 155.2° | 142.8° |
| C3 | C2 | C1 | H1 | 163.3° | 94.9° |
| C2 | C3 | C4 | H4 | 83.7° | 94.9° |
| C2 | C3 | O7 | HO7 | 180.0° | 61.5° |
| F6 | C2 | C3 | C4 | 162.5° | 118.6° |
| F6 | C2 | C3 | O7 | 81.9° | 122.7° |
| F6 | C2 | C1 | H1 | 82.5° | 146.5° |
| F6 | C2 | C3 | H3 | 37.7° | 0.0° |
| C4 | C3 | O7 | H3 | 125.8° | 122.7° |
| C3 | C4 | O5 | N29 | 118.9° | 118.9° |
| C3 | C4 | O5 | H4 | 120.7° | 118.8° |
| C3 | C4 | N29 | H4 | 121.5° | 122.3° |
| C3 | C4 | N29 | C31 | 52.1° | 95.0° |
| C3 | C4 | N29 | C33 | 139.7° | 84.6° |
| C4 | C3 | C2 | H2 | 76.2° | 118.7° |
| C4 | C3 | O7 | HO7 | 70.5° | 176.1° |
| O7 | C3 | C4 | O5 | 159.2° | 142.6° |
| O7 | C3 | C4 | N29 | 87.5° | 98.5° |
| O7 | C3 | C2 | H2 | 39.3° | 0.0° |
| O7 | C3 | C4 | H4 | 33.6° | 23.8° |
| O5 | C4 | N29 | H4 | 125.7° | 122.2° |
| O5 | C4 | N29 | C31 | 60.7° | 20.5° |
| O5 | C4 | N29 | C33 | 107.6° | 159.9° |
| C4 | O5 | C1 | H1 | 135.1° | 78.4° |
| O5 | C4 | C3 | H3 | 81.5° | 94.7° |
| C4 | N29 | C31 | C33 | 169.5° | 179.6° |
| C4 | N29 | C31 | N30 | 170.6° | 179.9° |
| C4 | N29 | C33 | C32 | 170.7° | 179.9° |
| C4 | N29 | C33 | N34 | 8.1° | 0.1° |
| N29 | C4 | C3 | H3 | 31.8° | 24.2° |
| C4 | N29 | C31 | H31 | 9.4° | 0.0° |
| C8 | C28 | C27 | N25 | 142.0° | 125.0° |
| C8 | C28 | C27 | H28 | 180.0° | 179.9° |
| C28 | C8 | C1 | H1 | 35.8° | 112.7° |
| C8 | C28 | C27 | H27 | 98.0° | 5.0° |
| C8 | C28 | C27 | H27A | 22.0° | 115.0° |
| C10 | C9 | C14 | O22 | 179.1° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 2.7° | 0.0° |
| C9 | C10 | C11 | C15 | 179.9° | 180.0° |
| C10 | C9 | C14 | C13 | 0.4° | 0.1° |
| C10 | C9 | C14 | O21 | 176.7° | 180.0° |
| C10 | C9 | O22 | HO22 | 180.0° | 89.9° |
| C14 | C9 | C10 | C11 | 1.9° | 0.1° |
| C9 | C14 | C13 | C12 | 0.2° | 0.1° |
| C9 | C14 | C13 | O21 | 176.8° | 179.8° |
| C9 | C14 | C13 | C24 | 177.9° | 180.0° |
| C14 | C9 | C10 | H10 | 178.1° | 180.0° |
| C9 | C14 | O21 | HO21 | 180.0° | 90.1° |
| C14 | C9 | O22 | HO22 | 0.9° | 90.2° |
| O22 | C9 | C10 | C11 | 179.0° | 179.8° |
| O22 | C9 | C14 | C13 | 179.6° | 179.7° |
| O22 | C9 | C14 | O21 | 2.4° | 0.1° |
| O22 | C9 | C10 | H10 | 1.0° | 0.2° |
| C10 | C11 | C12 | C15 | 177.4° | 180.0° |
| C10 | C11 | C12 | C13 | 2.2° | 0.0° |
| C10 | C11 | C15 | C16 | 35.6° | 0.0° |
| C10 | C11 | C15 | C20 | 146.9° | 179.7° |
| C10 | C11 | C12 | H12 | 177.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C11 | C12 | C13 | C24 | 177.1° | 180.0° |
| C12 | C11 | C15 | C16 | 141.7° | 180.0° |
| C12 | C11 | C15 | C20 | 35.9° | 0.3° |
| C12 | C11 | C10 | H10 | 177.3° | 180.0° |
| C15 | C11 | C12 | C13 | 179.5° | 180.0° |
| C11 | C15 | C16 | C20 | 177.5° | 179.8° |
| C11 | C15 | C16 | C17 | 177.1° | 180.0° |
| C11 | C15 | C20 | C19 | 177.3° | 179.8° |
| C15 | C11 | C10 | H10 | 0.1° | 0.1° |
| C15 | C11 | C12 | H12 | 0.5° | 0.0° |
| C11 | C15 | C16 | H16 | 2.9° | 0.0° |
| C11 | C15 | C20 | H20 | 2.7° | 0.0° |
| C12 | C13 | C14 | C24 | 177.7° | 179.9° |
| C12 | C13 | C14 | O21 | 177.0° | 180.0° |
| C12 | C13 | C24 | N25 | 165.5° | 0.0° |
| C12 | C13 | C24 | O26 | 11.7° | 179.9° |
| C14 | C13 | C24 | N25 | 12.2° | 179.9° |
| C14 | C13 | C24 | O26 | 170.5° | 0.0° |
| C14 | C13 | C12 | H12 | 179.3° | 179.9° |
| C13 | C14 | O21 | HO21 | 3.1° | 90.1° |
| C24 | C13 | C14 | O21 | 5.3° | 0.1° |
| C13 | C24 | N25 | O26 | 177.3° | 180.0° |
| C13 | C24 | N25 | C27 | 175.5° | 180.0° |
| C24 | C13 | C12 | H12 | 2.9° | 0.0° |
| C13 | C24 | N25 | HN25 | 4.4° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 4.6° | 0.0° |
| C16 | C15 | C20 | C19 | 5.1° | 0.5° |
| C15 | C16 | C17 | H17 | 175.4° | 180.0° |
| C16 | C15 | C20 | H20 | 174.9° | 179.7° |
| C20 | C15 | C16 | C17 | 5.3° | 0.2° |
| C15 | C20 | C19 | C18 | 4.5° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.8° |
| C20 | C15 | C16 | H16 | 174.7° | 179.8° |
| C15 | C20 | C19 | H19 | 175.5° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 3.9° | 0.0° |
| C16 | C17 | C18 | F23 | 179.9° | 180.0° |
| C17 | C18 | C19 | F23 | 176.3° | 180.0° |
| C17 | C18 | C19 | C20 | 4.0° | 0.3° |
| C18 | C17 | C16 | H16 | 175.4° | 180.0° |
| C17 | C18 | C19 | H19 | 176.0° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C19 | C18 | C17 | H17 | 176.2° | 180.0° |
| C18 | C19 | C20 | H20 | 175.5° | 179.7° |
| F23 | C18 | C19 | C20 | 179.8° | 179.7° |
| F23 | C18 | C17 | H17 | 0.1° | 0.0° |
| F23 | C18 | C19 | H19 | 0.3° | 0.1° |
| C24 | N25 | C27 | HN25 | 180.0° | 180.0° |
| C24 | N25 | C27 | C28 | 155.0° | 180.0° |
| C24 | N25 | C27 | H27 | 85.1° | 60.0° |
| C24 | N25 | C27 | H27A | 35.0° | 60.0° |
| O26 | C24 | N25 | C27 | 1.7° | 0.1° |
| O26 | C24 | N25 | HN25 | 178.3° | 180.0° |
| N25 | C27 | C28 | H27 | 120.0° | 120.0° |
| N25 | C27 | C28 | H27A | 120.0° | 120.0° |
| N25 | C27 | H27 | H27A | 120.8° | 120.0° |
| N25 | C27 | C28 | H28 | 38.0° | 54.9° |
| C27 | C28 | C8 | H8 | 1.3° | 0.0° |
| C28 | C27 | N25 | HN25 | 25.0° | 0.0° |
| C28 | C27 | H27 | H27A | 120.7° | 120.0° |
| N29 | C31 | N30 | H31 | 180.0° | 179.9° |
| N29 | C31 | N30 | C32 | 1.2° | 0.2° |
| C31 | N29 | C33 | C32 | 0.5° | 0.3° |
| C31 | N29 | C33 | N34 | 178.3° | 179.8° |
| C31 | N29 | C4 | H4 | 173.6° | 142.7° |
| C33 | N29 | C31 | N30 | 1.1° | 0.3° |
| N29 | C33 | C32 | N30 | 0.2° | 0.2° |
| N29 | C33 | C32 | N34 | 179.0° | 179.9° |
| N29 | C33 | C32 | C37 | 178.7° | 180.0° |
| N29 | C33 | N34 | C35 | 179.7° | 180.0° |
| C33 | N29 | C4 | H4 | 18.1° | 37.7° |
| C33 | N29 | C31 | H31 | 178.9° | 179.7° |
| C31 | N30 | C32 | C33 | 0.9° | 0.0° |
| C31 | N30 | C32 | C37 | 179.0° | 179.8° |
| N30 | C32 | C33 | C37 | 178.5° | 179.8° |
| N30 | C32 | C33 | N34 | 179.2° | 179.9° |
| N30 | C32 | C37 | N36 | 177.2° | 179.8° |
| N30 | C32 | C37 | N38 | 1.0° | 0.0° |
| C32 | N30 | C31 | H31 | 178.8° | 179.8° |
| C32 | C33 | N34 | C35 | 1.0° | 0.1° |
| C33 | C32 | C37 | N36 | 4.8° | 0.0° |
| C33 | C32 | C37 | N38 | 177.0° | 179.7° |
| C37 | C32 | C33 | N34 | 2.3° | 0.0° |
| C32 | C37 | N36 | C35 | 6.2° | 0.0° |
| C32 | C37 | N36 | N38 | 178.3° | 179.7° |
| C32 | C37 | N38 | C39 | 3.5° | 180.0° |
| C32 | C37 | N38 | HN38 | 123.5° | 0.0° |
| C33 | N34 | C35 | N36 | 2.4° | 0.1° |
| C33 | N34 | C35 | H35 | 177.6° | 180.0° |
| N34 | C35 | N36 | H35 | 180.0° | 179.9° |
| N34 | C35 | N36 | C37 | 5.2° | 0.0° |
| C35 | N36 | C37 | N38 | 175.5° | 179.7° |
| N36 | C37 | N38 | C39 | 178.2° | 0.3° |
| C37 | N36 | C35 | H35 | 174.8° | 180.0° |
| N36 | C37 | N38 | HN38 | 58.3° | 179.7° |
| C37 | N38 | C39 | HN38 | 120.0° | 179.9° |
| C37 | N38 | C39 | H39 | 180.0° | 180.0° |
| C37 | N38 | C39 | H39A | 60.0° | 60.1° |
| C37 | N38 | C39 | H39B | 60.0° | 60.0° |
| N38 | C39 | H39 | H39A | 120.0° | 119.9° |
| N38 | C39 | H39 | H39B | 120.0° | 120.1° |
| N38 | C39 | H39A | H39B | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 38.5° | 23.8° |
| H1 | C1 | C8 | H8 | 144.2° | 67.4° |
| H2 | C2 | C3 | H3 | 158.9° | 122.7° |
| H3 | C3 | C4 | H4 | 152.9° | 146.5° |
| H3 | C3 | O7 | HO7 | 55.4° | 61.2° |
| H8 | C8 | C28 | H28 | 178.7° | 179.9° |
| H16 | C16 | C17 | H17 | 4.6° | 0.0° |
| H19 | C19 | C20 | H20 | 4.5° | 0.1° |
| HN25 | N25 | C27 | H27 | 94.9° | 120.0° |
| HN25 | N25 | C27 | H27A | 145.0° | 120.0° |
| H27 | C27 | C28 | H28 | 82.0° | 174.9° |
| H27A | C27 | C28 | H28 | 158.0° | 65.1° |
| HN38 | N38 | C39 | H39 | 60.0° | 0.1° |
| HN38 | N38 | C39 | H39A | 180.0° | 120.0° |
| HN38 | N38 | C39 | H39B | 60.0° | 119.9° |
| H39 | C39 | H39A | H39B | 120.0° | 120.0° |
