60D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N22 | doub | 1.31Å | 1.31Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| N22 | N23 | sing | 1.40Å | 1.40Å | Aromatic |
| O26 | S25 | doub | 1.42Å | 1.43Å | |
| N17 | C16 | doub | 1.32Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | C18 | sing | 1.48Å | 1.48Å | |
| C20 | C24 | doub | 1.37Å | 1.36Å | Aromatic |
| N23 | S25 | sing | 1.66Å | 1.67Å | |
| N23 | C24 | sing | 1.35Å | 1.35Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | N19 | doub | 1.33Å | 1.34Å | Aromatic |
| S25 | C28 | sing | 1.81Å | 1.82Å | |
| S25 | O27 | doub | 1.42Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| N19 | C14 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.38Å | |
| N13 | C10 | sing | 1.39Å | 1.40Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.33Å | 1.33Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N4 | sing | 1.46Å | 1.48Å | |
| N11 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C8 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.42Å | Aromatic |
| N4 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.48Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C31 | sing | 1.47Å | 1.48Å | |
| C31 | O32 | doub | 1.22Å | 1.23Å | |
| C31 | N33 | sing | 1.35Å | 1.35Å | |
| N33 | C34 | sing | 1.47Å | 1.46Å | |
| C34 | C39 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | O37 | sing | 1.43Å | 1.44Å | |
| C38 | O37 | sing | 1.43Å | 1.44Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| N33 | H21 | sing | 0.97Å | 1.00Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C21 | C20 | 108.1° | 108.1° |
| C21 | N22 | N23 | 108.9° | 108.5° |
| N22 | C21 | H14 | 126.0° | 126.0° |
| C21 | C20 | C18 | 127.9° | 126.3° |
| C21 | C20 | C24 | 107.1° | 107.4° |
| C20 | C21 | H14 | 126.0° | 125.9° |
| N22 | N23 | S25 | 127.0° | 125.9° |
| N22 | N23 | C24 | 107.5° | 108.3° |
| O26 | S25 | N23 | 103.8° | 104.3° |
| O26 | S25 | C28 | 109.9° | 110.6° |
| O26 | S25 | O27 | 121.7° | 121.0° |
| C16 | N17 | C18 | 121.8° | 120.9° |
| N17 | C16 | C15 | 119.4° | 119.4° |
| N17 | C16 | H13 | 120.3° | 120.3° |
| N17 | C18 | C20 | 119.9° | 119.2° |
| N17 | C18 | N19 | 120.4° | 121.6° |
| C18 | C20 | C24 | 124.9° | 126.3° |
| C20 | C18 | N19 | 119.6° | 119.2° |
| C20 | C24 | N23 | 108.4° | 107.6° |
| C20 | C24 | H15 | 125.8° | 126.2° |
| S25 | N23 | C24 | 125.4° | 125.8° |
| N23 | S25 | C28 | 104.1° | 104.5° |
| N23 | S25 | O27 | 105.2° | 104.3° |
| N23 | C24 | H15 | 125.8° | 126.2° |
| C16 | C15 | C14 | 118.0° | 118.5° |
| C16 | C15 | H12 | 121.0° | 120.8° |
| C15 | C16 | H13 | 120.3° | 120.3° |
| C18 | N19 | C14 | 121.0° | 120.6° |
| C28 | S25 | O27 | 110.4° | 110.5° |
| S25 | C28 | C29 | 117.8° | 117.5° |
| S25 | C28 | C30 | 119.0° | 117.5° |
| S25 | C28 | H16 | 113.4° | 115.5° |
| C29 | C28 | C30 | 60.0° | 60.0° |
| C28 | C29 | C30 | 59.9° | 60.0° |
| C29 | C28 | H16 | 118.3° | 117.5° |
| C28 | C29 | H17 | 120.0° | 117.5° |
| C28 | C29 | H18 | 120.0° | 117.5° |
| C28 | C30 | C29 | 60.1° | 60.0° |
| C30 | C28 | H16 | 118.4° | 117.5° |
| C28 | C30 | H19 | 120.0° | 117.5° |
| C28 | C30 | H20 | 120.0° | 117.5° |
| C15 | C14 | N19 | 119.4° | 119.1° |
| C15 | C14 | N13 | 118.3° | 120.4° |
| C14 | C15 | H12 | 121.0° | 120.8° |
| C30 | C29 | H17 | 120.0° | 117.5° |
| C30 | C29 | H18 | 120.0° | 117.5° |
| C29 | C30 | H19 | 120.0° | 117.5° |
| C29 | C30 | H20 | 120.0° | 117.5° |
| N19 | C14 | N13 | 122.2° | 120.5° |
| C14 | N13 | C10 | 127.9° | 120.0° |
| C14 | N13 | H11 | 116.1° | 120.0° |
| N13 | C10 | C9 | 123.3° | 119.4° |
| N13 | C10 | N11 | 115.8° | 119.4° |
| C10 | N13 | H11 | 116.1° | 120.0° |
| C9 | C10 | N11 | 120.8° | 121.2° |
| C10 | C9 | C8 | 118.9° | 118.9° |
| C10 | C9 | H2 | 120.6° | 120.6° |
| C10 | N11 | C12 | 122.4° | 122.1° |
| C9 | C8 | N4 | 134.6° | 134.3° |
| C9 | C8 | C7 | 118.1° | 118.1° |
| C8 | C9 | H2 | 120.5° | 120.6° |
| C3 | C2 | C1 | 111.3° | 109.5° |
| C3 | C2 | N4 | 109.7° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C3 | C2 | H10 | 106.8° | 109.5° |
| C1 | C2 | N4 | 114.3° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 106.8° | 109.5° |
| C2 | N4 | C8 | 122.8° | 124.8° |
| C2 | N4 | C5 | 127.1° | 124.8° |
| N4 | C2 | H10 | 107.5° | 109.4° |
| N11 | C12 | C7 | 120.6° | 120.3° |
| N11 | C12 | H3 | 119.7° | 119.9° |
| N4 | C8 | C7 | 107.2° | 107.5° |
| C8 | N4 | C5 | 110.1° | 110.4° |
| C8 | C7 | C12 | 119.1° | 119.4° |
| C8 | C7 | C6 | 106.4° | 105.8° |
| N4 | C5 | C6 | 110.4° | 109.8° |
| N4 | C5 | H1 | 124.8° | 125.1° |
| C12 | C7 | C6 | 134.5° | 134.8° |
| C7 | C12 | H3 | 119.7° | 119.8° |
| C7 | C6 | C5 | 105.9° | 106.5° |
| C7 | C6 | C31 | 126.1° | 126.8° |
| C5 | C6 | C31 | 128.0° | 126.8° |
| C6 | C5 | H1 | 124.8° | 125.1° |
| C6 | C31 | O32 | 120.3° | 120.0° |
| C6 | C31 | N33 | 119.5° | 120.0° |
| O32 | C31 | N33 | 120.2° | 120.1° |
| C31 | N33 | C34 | 121.8° | 119.9° |
| C31 | N33 | H21 | 119.1° | 120.0° |
| N33 | C34 | C39 | 109.7° | 109.5° |
| N33 | C34 | C35 | 105.8° | 109.5° |
| C34 | N33 | H21 | 119.1° | 120.0° |
| N33 | C34 | H22 | 110.8° | 109.6° |
| C39 | C34 | C35 | 111.0° | 109.0° |
| C34 | C39 | C38 | 109.1° | 109.2° |
| C39 | C34 | H22 | 109.8° | 109.6° |
| C34 | C39 | H29 | 109.6° | 109.6° |
| C34 | C39 | H30 | 109.6° | 109.5° |
| C34 | C35 | C36 | 110.2° | 109.1° |
| C35 | C34 | H22 | 109.7° | 109.6° |
| C34 | C35 | H23 | 109.3° | 109.5° |
| C34 | C35 | H24 | 109.3° | 109.5° |
| C39 | C38 | O37 | 110.7° | 109.4° |
| C39 | C38 | H27 | 109.2° | 109.5° |
| C39 | C38 | H28 | 109.1° | 109.5° |
| C38 | C39 | H29 | 109.5° | 109.5° |
| C38 | C39 | H30 | 109.6° | 109.5° |
| C35 | C36 | O37 | 107.4° | 109.5° |
| C36 | C35 | H23 | 109.3° | 109.5° |
| C36 | C35 | H24 | 109.3° | 109.5° |
| C35 | C36 | H25 | 110.0° | 109.5° |
| C35 | C36 | H26 | 110.0° | 109.5° |
| C36 | O37 | C38 | 115.6° | 114.1° |
| O37 | C36 | H25 | 110.0° | 109.5° |
| O37 | C36 | H26 | 110.0° | 109.4° |
| O37 | C38 | H27 | 109.1° | 109.5° |
| O37 | C38 | H28 | 109.2° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.4° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 115.6° |
| H19 | C30 | H20 | 109.5° | 115.6° |
| H23 | C35 | H24 | 109.5° | 109.6° |
| H25 | C36 | H26 | 109.5° | 109.4° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H29 | C39 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C21 | C20 | H14 | 180.0° | 179.9° |
| N22 | C21 | C20 | C18 | 178.0° | 180.0° |
| N22 | C21 | C20 | C24 | 0.9° | 0.2° |
| C21 | N22 | N23 | S25 | 177.0° | 180.0° |
| C21 | N22 | N23 | C24 | 0.5° | 0.2° |
| C20 | C21 | N22 | N23 | 0.3° | 0.0° |
| C21 | C20 | C18 | N17 | 22.7° | 179.7° |
| C21 | C20 | C18 | C24 | 176.6° | 179.7° |
| C21 | C20 | C24 | N23 | 1.2° | 0.4° |
| C21 | C20 | C18 | N19 | 160.1° | 0.6° |
| C21 | C20 | C24 | H15 | 178.8° | 179.8° |
| N22 | N23 | S25 | O26 | 27.7° | 153.9° |
| N22 | N23 | C24 | C20 | 1.0° | 0.4° |
| N22 | N23 | S25 | C24 | 176.0° | 179.8° |
| N22 | N23 | S25 | C28 | 87.2° | 90.0° |
| N22 | N23 | S25 | O27 | 156.6° | 26.0° |
| N23 | N22 | C21 | H14 | 179.7° | 179.9° |
| N22 | N23 | C24 | H15 | 179.0° | 179.8° |
| O26 | S25 | N23 | C28 | 115.0° | 116.1° |
| O26 | S25 | N23 | O27 | 128.9° | 127.8° |
| O26 | S25 | N23 | C24 | 156.3° | 26.4° |
| O26 | S25 | C28 | O27 | 136.9° | 136.7° |
| O26 | S25 | C28 | C29 | 60.7° | 73.3° |
| O26 | S25 | C28 | C30 | 129.9° | 142.0° |
| O26 | S25 | C28 | H16 | 83.6° | 72.3° |
| C16 | N17 | C18 | C20 | 178.0° | 180.0° |
| N17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C16 | N17 | C18 | N19 | 0.8° | 0.3° |
| N17 | C16 | C15 | C14 | 0.7° | 0.0° |
| N17 | C16 | C15 | H12 | 179.3° | 180.0° |
| N17 | C18 | C20 | N19 | 177.3° | 179.7° |
| N17 | C18 | C20 | C24 | 153.9° | 0.0° |
| C18 | N17 | C16 | C15 | 1.6° | 0.0° |
| N17 | C18 | N19 | C14 | 1.1° | 0.6° |
| C18 | N17 | C16 | H13 | 178.3° | 180.0° |
| C18 | C20 | C24 | N23 | 178.4° | 179.9° |
| C20 | C18 | N19 | C14 | 176.2° | 179.7° |
| C18 | C20 | C21 | H14 | 2.0° | 0.1° |
| C18 | C20 | C24 | H15 | 1.6° | 0.0° |
| C20 | C24 | N23 | S25 | 177.7° | 179.8° |
| C20 | C24 | N23 | H15 | 180.0° | 179.9° |
| C24 | C20 | C18 | N19 | 23.4° | 179.7° |
| C24 | C20 | C21 | H14 | 179.1° | 179.8° |
| N23 | S25 | C28 | O27 | 112.5° | 111.6° |
| N23 | S25 | C28 | C29 | 171.3° | 175.0° |
| N23 | S25 | C28 | C30 | 119.4° | 106.3° |
| S25 | N23 | C24 | H15 | 2.3° | 0.1° |
| N23 | S25 | C28 | H16 | 27.0° | 39.4° |
| C24 | N23 | S25 | C28 | 88.8° | 89.7° |
| C24 | N23 | S25 | O27 | 27.4° | 154.2° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C16 | C15 | C14 | N19 | 1.0° | 0.4° |
| C16 | C15 | C14 | N13 | 178.5° | 180.0° |
| C18 | N19 | C14 | C15 | 2.0° | 0.6° |
| C18 | N19 | C14 | N13 | 179.3° | 179.7° |
| S25 | C28 | C29 | C30 | 109.2° | 107.5° |
| S25 | C28 | C29 | H16 | 142.6° | 145.0° |
| S25 | C28 | C30 | H16 | 144.8° | 145.0° |
| S25 | C28 | C29 | H17 | 141.3° | 145.0° |
| S25 | C28 | C29 | H18 | 0.2° | 0.0° |
| S25 | C28 | C30 | H19 | 2.4° | 0.0° |
| S25 | C28 | C30 | H20 | 143.4° | 145.0° |
| O27 | S25 | C28 | C29 | 76.2° | 63.4° |
| O27 | S25 | C28 | C30 | 7.0° | 5.3° |
| O27 | S25 | C28 | H16 | 139.5° | 151.0° |
| C29 | C28 | C30 | H16 | 108.1° | 107.5° |
| C28 | C29 | C30 | H17 | 109.5° | 107.5° |
| C28 | C29 | C30 | H18 | 109.4° | 107.5° |
| C28 | C29 | H17 | H18 | 144.8° | 145.8° |
| C29 | C28 | C30 | H19 | 109.5° | 107.5° |
| C29 | C28 | C30 | H20 | 109.5° | 107.5° |
| C28 | C30 | H19 | H20 | 144.7° | 145.7° |
| C15 | C14 | N19 | N13 | 177.3° | 179.7° |
| C15 | C14 | N13 | C10 | 147.1° | 174.8° |
| C15 | C14 | N13 | H11 | 32.9° | 5.3° |
| C14 | C15 | C16 | H13 | 179.3° | 180.0° |
| C30 | C29 | H17 | H18 | 144.8° | 145.6° |
| C29 | C30 | H19 | H20 | 144.7° | 145.7° |
| N19 | C14 | N13 | C10 | 35.6° | 5.6° |
| N19 | C14 | N13 | H11 | 144.4° | 174.4° |
| N19 | C14 | C15 | H12 | 179.0° | 179.7° |
| C14 | N13 | C10 | H11 | 180.0° | 179.9° |
| C14 | N13 | C10 | C9 | 24.7° | 174.7° |
| C14 | N13 | C10 | N11 | 158.5° | 5.2° |
| N13 | C14 | C15 | H12 | 1.6° | 0.1° |
| N13 | C10 | C9 | N11 | 176.6° | 180.0° |
| N13 | C10 | C9 | C8 | 179.4° | 180.0° |
| N13 | C10 | N11 | C12 | 179.9° | 179.0° |
| N13 | C10 | C9 | H2 | 0.6° | 0.0° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C9 | C10 | N11 | C12 | 3.3° | 0.9° |
| C10 | C9 | C8 | N4 | 178.6° | 180.0° |
| C10 | C9 | C8 | C7 | 2.1° | 0.4° |
| C9 | C10 | N13 | H11 | 155.3° | 5.3° |
| N11 | C10 | C9 | C8 | 4.0° | 0.0° |
| C10 | N11 | C12 | C7 | 0.6° | 1.3° |
| N11 | C10 | C9 | H2 | 176.0° | 180.0° |
| C10 | N11 | C12 | H3 | 179.4° | 179.5° |
| N11 | C10 | N13 | H11 | 21.5° | 174.7° |
| C9 | C8 | N4 | C2 | 1.4° | 0.4° |
| C9 | C8 | N4 | C7 | 179.3° | 179.6° |
| C9 | C8 | N4 | C5 | 179.6° | 180.0° |
| C9 | C8 | C7 | C12 | 0.4° | 0.0° |
| C9 | C8 | C7 | C6 | 179.1° | 179.9° |
| C3 | C2 | C1 | N4 | 125.0° | 120.0° |
| C3 | C2 | C1 | H10 | 116.3° | 120.0° |
| C3 | C2 | N4 | H10 | 115.8° | 120.0° |
| C3 | C2 | N4 | C8 | 93.2° | 120.0° |
| C3 | C2 | N4 | C5 | 84.6° | 60.5° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C1 | H7 | 180.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C3 | C2 | C1 | H9 | 60.0° | 59.9° |
| C1 | C2 | N4 | H10 | 118.3° | 120.0° |
| C1 | C2 | N4 | C8 | 141.0° | 120.0° |
| C1 | C2 | N4 | C5 | 41.2° | 59.6° |
| C1 | C2 | C3 | H4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H5 | 60.0° | 60.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | N4 | C8 | C5 | 178.1° | 179.6° |
| C2 | N4 | C8 | C7 | 179.2° | 180.0° |
| C2 | N4 | C5 | C6 | 179.7° | 180.0° |
| C2 | N4 | C5 | H1 | 0.3° | 0.2° |
| N4 | C2 | C3 | H4 | 52.5° | 60.0° |
| N4 | C2 | C3 | H5 | 172.5° | 60.0° |
| N4 | C2 | C3 | H6 | 67.5° | 180.0° |
| N4 | C2 | C1 | H7 | 55.0° | 60.0° |
| N4 | C2 | C1 | H8 | 65.0° | 60.0° |
| N4 | C2 | C1 | H9 | 175.0° | 180.0° |
| N11 | C12 | C7 | C8 | 1.3° | 0.8° |
| N11 | C12 | C7 | H3 | 180.0° | 179.1° |
| N11 | C12 | C7 | C6 | 179.4° | 179.3° |
| N4 | C8 | C7 | C12 | 179.0° | 179.7° |
| N4 | C8 | C7 | C6 | 0.4° | 0.2° |
| C8 | N4 | C5 | C6 | 2.3° | 0.4° |
| C8 | N4 | C5 | H1 | 177.7° | 179.8° |
| N4 | C8 | C9 | H2 | 1.4° | 0.0° |
| C8 | N4 | C2 | H10 | 22.6° | 0.0° |
| C7 | C8 | N4 | C5 | 1.1° | 0.4° |
| C8 | C7 | C12 | C6 | 178.1° | 179.9° |
| C8 | C7 | C6 | C5 | 1.7° | 0.0° |
| C8 | C7 | C6 | C31 | 179.3° | 180.0° |
| C7 | C8 | C9 | H2 | 177.9° | 179.6° |
| C8 | C7 | C12 | H3 | 178.7° | 180.0° |
| N4 | C5 | C6 | C7 | 2.4° | 0.3° |
| N4 | C5 | C6 | H1 | 180.0° | 179.8° |
| N4 | C5 | C6 | C31 | 180.0° | 179.7° |
| C5 | N4 | C2 | H10 | 159.6° | 179.6° |
| C12 | C7 | C6 | C5 | 180.0° | 179.9° |
| C12 | C7 | C6 | C31 | 2.4° | 0.1° |
| C7 | C6 | C5 | C31 | 177.5° | 180.0° |
| C7 | C6 | C31 | O32 | 15.9° | 0.0° |
| C7 | C6 | C31 | N33 | 165.0° | 180.0° |
| C7 | C6 | C5 | H1 | 177.6° | 180.0° |
| C6 | C7 | C12 | H3 | 0.6° | 0.1° |
| C5 | C6 | C31 | O32 | 167.1° | 180.0° |
| C5 | C6 | C31 | N33 | 12.0° | 0.0° |
| C6 | C31 | O32 | N33 | 179.1° | 180.0° |
| C6 | C31 | N33 | C34 | 178.1° | 180.0° |
| C31 | C6 | C5 | H1 | 0.0° | 0.0° |
| C6 | C31 | N33 | H21 | 1.9° | 0.0° |
| O32 | C31 | N33 | C34 | 2.8° | 0.0° |
| O32 | C31 | N33 | H21 | 177.2° | 180.0° |
| C31 | N33 | C34 | H21 | 180.0° | 180.0° |
| C31 | N33 | C34 | C39 | 143.2° | 155.1° |
| C31 | N33 | C34 | C35 | 97.0° | 85.5° |
| C31 | N33 | C34 | H22 | 21.8° | 34.8° |
| N33 | C34 | C39 | C35 | 116.6° | 119.8° |
| N33 | C34 | C39 | H22 | 122.0° | 120.2° |
| N33 | C34 | C35 | H22 | 119.6° | 120.3° |
| N33 | C34 | C39 | C38 | 169.2° | 176.9° |
| N33 | C34 | C35 | C36 | 175.3° | 176.8° |
| N33 | C34 | C35 | H23 | 64.6° | 63.3° |
| N33 | C34 | C35 | H24 | 55.1° | 56.9° |
| N33 | C34 | C39 | H29 | 49.3° | 56.9° |
| N33 | C34 | C39 | H30 | 70.8° | 63.3° |
| C39 | C34 | C35 | H22 | 121.5° | 119.9° |
| C34 | C39 | C38 | H29 | 119.9° | 120.0° |
| C34 | C39 | C38 | H30 | 120.0° | 119.9° |
| C39 | C34 | C35 | C36 | 56.3° | 57.0° |
| C34 | C39 | C38 | O37 | 52.8° | 57.6° |
| C39 | C34 | N33 | H21 | 36.8° | 25.0° |
| C39 | C34 | C35 | H23 | 176.4° | 176.9° |
| C39 | C34 | C35 | H24 | 63.8° | 62.9° |
| C34 | C39 | C38 | H27 | 173.0° | 62.3° |
| C34 | C39 | C38 | H28 | 67.4° | 177.7° |
| C34 | C39 | H29 | H30 | 120.2° | 120.1° |
| C35 | C34 | C39 | C38 | 52.7° | 57.0° |
| C34 | C35 | C36 | H23 | 120.1° | 119.9° |
| C34 | C35 | C36 | H24 | 120.1° | 119.9° |
| C34 | C35 | C36 | O37 | 57.7° | 57.6° |
| C35 | C34 | N33 | H21 | 82.9° | 94.5° |
| C34 | C35 | H23 | H24 | 119.7° | 120.2° |
| C34 | C35 | C36 | H25 | 61.9° | 62.4° |
| C34 | C35 | C36 | H26 | 177.4° | 177.6° |
| C35 | C34 | C39 | H29 | 67.3° | 62.9° |
| C35 | C34 | C39 | H30 | 172.6° | 176.9° |
| C39 | C38 | O37 | C36 | 60.3° | 61.1° |
| C39 | C38 | O37 | H27 | 120.2° | 120.0° |
| C39 | C38 | O37 | H28 | 120.2° | 120.0° |
| C38 | C39 | C34 | H22 | 68.8° | 62.9° |
| C39 | C38 | H27 | H28 | 119.4° | 120.0° |
| C38 | C39 | H29 | H30 | 120.2° | 120.1° |
| C35 | C36 | O37 | H25 | 119.6° | 120.1° |
| C35 | C36 | O37 | H26 | 119.7° | 120.0° |
| C35 | C36 | O37 | C38 | 61.7° | 61.2° |
| C36 | C35 | C34 | H22 | 65.2° | 62.9° |
| C36 | C35 | H23 | H24 | 119.7° | 120.2° |
| C35 | C36 | H25 | H26 | 121.0° | 120.0° |
| O37 | C36 | C35 | H23 | 177.8° | 177.6° |
| O37 | C36 | C35 | H24 | 62.4° | 62.3° |
| O37 | C36 | H25 | H26 | 121.0° | 120.0° |
| C36 | O37 | C38 | H27 | 179.5° | 58.8° |
| C36 | O37 | C38 | H28 | 59.8° | 178.9° |
| C38 | O37 | C36 | H25 | 58.0° | 58.9° |
| C38 | O37 | C36 | H26 | 178.6° | 178.9° |
| O37 | C38 | H27 | H28 | 119.4° | 120.1° |
| O37 | C38 | C39 | H29 | 67.1° | 62.3° |
| O37 | C38 | C39 | H30 | 172.8° | 177.5° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H4 | C3 | C2 | H10 | 63.8° | 60.0° |
| H5 | C3 | C2 | H10 | 56.3° | 180.0° |
| H6 | C3 | C2 | H10 | 176.2° | 60.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H10 | 63.7° | 180.0° |
| H8 | C1 | C2 | H10 | 176.3° | 60.0° |
| H9 | C1 | C2 | H10 | 56.3° | 60.1° |
| H12 | C15 | C16 | H13 | 0.7° | 0.1° |
| H16 | C28 | C29 | H17 | 1.3° | 0.1° |
| H16 | C28 | C29 | H18 | 142.4° | 145.0° |
| H16 | C28 | C30 | H19 | 142.4° | 145.1° |
| H16 | C28 | C30 | H20 | 1.4° | 0.0° |
| H17 | C29 | C30 | H19 | 141.0° | 145.0° |
| H17 | C29 | C30 | H20 | 0.0° | 0.0° |
| H18 | C29 | C30 | H19 | 0.1° | 0.0° |
| H18 | C29 | C30 | H20 | 141.0° | 145.0° |
| H21 | N33 | C34 | H22 | 158.2° | 145.2° |
| H22 | C34 | C35 | H23 | 54.9° | 57.0° |
| H22 | C34 | C35 | H24 | 174.7° | 177.2° |
| H22 | C34 | C39 | H29 | 171.3° | 177.1° |
| H22 | C34 | C39 | H30 | 51.2° | 57.0° |
| H23 | C35 | C36 | H25 | 58.1° | 57.5° |
| H23 | C35 | C36 | H26 | 62.5° | 62.5° |
| H24 | C35 | C36 | H25 | 177.9° | 177.7° |
| H24 | C35 | C36 | H26 | 57.3° | 57.7° |
| H27 | C38 | C39 | H29 | 53.1° | 177.7° |
| H27 | C38 | C39 | H30 | 67.1° | 57.5° |
| H28 | C38 | C39 | H29 | 172.7° | 57.7° |
| H28 | C38 | C39 | H30 | 52.6° | 62.5° |
