XXW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
| N8 | C9 | sing | 1.46Å | 1.42Å | |
| C9 | F10 | sing | 1.40Å | 1.35Å | |
| C9 | F11 | sing | 1.40Å | 1.35Å | |
| N8 | N12 | sing | 1.40Å | 1.36Å | Aromatic |
| N12 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| N18 | N22 | sing | 1.40Å | 1.36Å | Aromatic |
| N22 | C23 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N25 | sing | 1.47Å | 1.47Å | |
| N25 | C26 | sing | 1.35Å | 1.34Å | |
| C26 | C27 | sing | 1.48Å | 1.50Å | |
| C27 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.37Å | |
| O30 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | N33 | sing | 1.47Å | 1.50Å | |
| N33 | C34 | sing | 1.47Å | 1.49Å | |
| N33 | C35 | sing | 1.47Å | 1.49Å | |
| C29 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C26 | O40 | doub | 1.22Å | 1.23Å | |
| C24 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C23 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C38 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21C | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34C | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | N25 | 109.0° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | C4 | 117.9° | 119.9° |
| C3 | C2 | N25 | 112.5° | 109.4° |
| C2 | C3 | C24 | 123.4° | 119.8° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C4 | C3 | C24 | 118.6° | 120.2° |
| C3 | C4 | H4 | 119.5° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | C14 | 119.6° | 119.9° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C5 | C6 | C7 | 127.4° | 126.2° |
| C6 | C5 | C14 | 120.3° | 120.1° |
| C5 | C6 | C13 | 128.9° | 126.2° |
| C6 | C7 | N8 | 107.3° | 107.6° |
| C7 | C6 | C13 | 103.8° | 107.6° |
| C6 | C7 | H7 | 126.4° | 126.2° |
| C7 | N8 | C9 | 128.4° | 125.9° |
| C7 | N8 | N12 | 112.4° | 108.2° |
| N8 | C7 | H7 | 126.4° | 126.2° |
| N8 | C9 | F10 | 109.7° | 109.5° |
| N8 | C9 | F11 | 109.7° | 109.5° |
| C9 | N8 | N12 | 119.2° | 125.9° |
| N8 | C9 | H9 | 109.9° | 109.5° |
| F10 | C9 | F11 | 105.5° | 109.5° |
| F10 | C9 | H9 | 111.0° | 109.4° |
| F11 | C9 | H9 | 111.0° | 109.5° |
| N8 | N12 | C13 | 104.1° | 108.5° |
| N12 | C13 | C6 | 112.5° | 108.1° |
| N12 | C13 | H13 | 123.8° | 126.0° |
| C5 | C14 | C15 | 120.0° | 119.8° |
| C5 | C14 | H14 | 120.0° | 120.1° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C14 | C15 | C24 | 119.6° | 119.9° |
| C15 | C14 | H14 | 120.0° | 120.1° |
| C15 | C16 | C17 | 127.3° | 126.2° |
| C16 | C15 | C24 | 120.2° | 120.0° |
| C15 | C16 | C23 | 129.3° | 126.3° |
| C16 | C17 | N18 | 107.5° | 107.7° |
| C17 | C16 | C23 | 103.5° | 107.5° |
| C16 | C17 | H17 | 126.3° | 126.2° |
| C17 | N18 | C19 | 128.0° | 125.9° |
| C17 | N18 | N22 | 112.3° | 108.1° |
| N18 | C17 | H17 | 126.2° | 126.1° |
| N18 | C19 | O20 | 111.6° | 109.5° |
| C19 | N18 | N22 | 119.7° | 125.9° |
| N18 | C19 | H19A | 108.9° | 109.5° |
| N18 | C19 | H19B | 108.9° | 109.5° |
| C19 | O20 | C21 | 113.3° | 114.0° |
| O20 | C19 | H19A | 108.9° | 109.4° |
| O20 | C19 | H19B | 108.9° | 109.4° |
| O20 | C21 | H21B | 109.5° | 109.5° |
| O20 | C21 | H21A | 109.5° | 109.5° |
| O20 | C21 | H21C | 109.5° | 109.5° |
| N18 | N22 | C23 | 104.1° | 108.6° |
| N22 | C23 | C16 | 112.7° | 108.1° |
| N22 | C23 | H23 | 123.6° | 126.0° |
| C15 | C24 | C3 | 121.1° | 120.1° |
| C15 | C24 | H24 | 119.5° | 120.0° |
| C2 | N25 | C26 | 122.3° | 120.0° |
| C2 | N25 | H25 | 118.8° | 120.0° |
| N25 | C2 | H2 | 108.1° | 109.4° |
| N25 | C26 | C27 | 116.7° | 120.0° |
| N25 | C26 | O40 | 122.4° | 120.0° |
| C26 | N25 | H25 | 118.8° | 120.0° |
| C26 | C27 | C28 | 119.4° | 120.1° |
| C27 | C26 | O40 | 121.0° | 120.0° |
| C26 | C27 | C38 | 120.6° | 120.1° |
| C27 | C28 | C29 | 120.2° | 119.8° |
| C28 | C27 | C38 | 120.0° | 119.8° |
| C27 | C28 | H28 | 119.9° | 120.1° |
| C28 | C29 | O30 | 126.6° | 119.9° |
| C28 | C29 | C36 | 120.1° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.1° |
| C29 | O30 | C31 | 118.8° | 117.0° |
| O30 | C29 | C36 | 113.2° | 120.0° |
| O30 | C31 | C32 | 104.5° | 109.5° |
| O30 | C31 | H31A | 110.7° | 109.4° |
| O30 | C31 | H31B | 110.7° | 109.5° |
| C31 | C32 | N33 | 114.8° | 109.4° |
| C32 | C31 | H31A | 110.7° | 109.5° |
| C32 | C31 | H31B | 110.7° | 109.5° |
| C31 | C32 | H32B | 108.2° | 109.4° |
| C31 | C32 | H32A | 108.1° | 109.5° |
| C32 | N33 | C34 | 112.8° | 111.0° |
| C32 | N33 | C35 | 111.9° | 111.0° |
| N33 | C32 | H32B | 108.1° | 109.5° |
| N33 | C32 | H32A | 108.1° | 109.5° |
| C34 | N33 | C35 | 110.7° | 111.0° |
| N33 | C34 | H34A | 109.5° | 109.4° |
| N33 | C34 | H34B | 109.5° | 109.5° |
| N33 | C34 | H34C | 109.5° | 109.4° |
| N33 | C35 | H35B | 109.5° | 109.5° |
| N33 | C35 | H35C | 109.5° | 109.5° |
| N33 | C35 | H35A | 109.5° | 109.5° |
| C29 | C36 | C37 | 119.6° | 120.3° |
| C29 | C36 | H36 | 120.2° | 119.9° |
| C36 | C37 | C38 | 122.0° | 120.2° |
| C37 | C36 | H36 | 120.2° | 119.8° |
| C36 | C37 | H37 | 119.0° | 119.9° |
| C37 | C38 | C39 | 119.5° | 120.0° |
| C37 | C38 | C27 | 118.1° | 120.0° |
| C38 | C37 | H37 | 119.0° | 119.9° |
| C39 | C38 | C27 | 122.4° | 120.0° |
| C38 | C39 | H39B | 109.5° | 109.5° |
| C38 | C39 | H39C | 109.5° | 109.5° |
| C38 | C39 | H39A | 109.5° | 109.5° |
| C3 | C24 | H24 | 119.4° | 119.9° |
| C6 | C13 | H13 | 123.8° | 125.9° |
| C16 | C23 | H23 | 123.7° | 125.9° |
| H1B | C1 | H1A | 109.4° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.4° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| H21B | C21 | H21A | 109.5° | 109.5° |
| H21B | C21 | H21C | 109.5° | 109.5° |
| H21A | C21 | H21C | 109.5° | 109.4° |
| H35B | C35 | H35C | 109.5° | 109.4° |
| H35B | C35 | H35A | 109.5° | 109.5° |
| H35C | C35 | H35A | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.4° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34C | 109.5° | 109.5° |
| H34B | C34 | H34C | 109.5° | 109.5° |
| H39B | C39 | H39C | 109.5° | 109.5° |
| H39B | C39 | H39A | 109.4° | 109.4° |
| H39C | C39 | H39A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N25 | 123.3° | 120.0° |
| C1 | C2 | C3 | H2 | 117.8° | 120.1° |
| C1 | C2 | C3 | C4 | 54.9° | 80.0° |
| C1 | C2 | N25 | H2 | 116.5° | 120.0° |
| C1 | C2 | N25 | C26 | 169.1° | 85.0° |
| C1 | C2 | C3 | C24 | 122.9° | 100.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C1 | C2 | N25 | H25 | 10.9° | 95.0° |
| C2 | C3 | C4 | C24 | 177.9° | 180.0° |
| C2 | C3 | C4 | C5 | 177.8° | 180.0° |
| C2 | C3 | C24 | C15 | 177.7° | 179.7° |
| C3 | C2 | N25 | H2 | 118.5° | 120.0° |
| C3 | C2 | N25 | C26 | 66.0° | 155.0° |
| C3 | C2 | C1 | H1B | 180.0° | 179.9° |
| C3 | C2 | C1 | H1A | 60.0° | 60.1° |
| C3 | C2 | C1 | H1C | 60.0° | 60.0° |
| C2 | C3 | C24 | H24 | 2.3° | 0.1° |
| C3 | C2 | N25 | H25 | 114.0° | 25.0° |
| C2 | C3 | C4 | H4 | 2.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 180.0° | 180.0° |
| C3 | C4 | C5 | C14 | 0.1° | 0.0° |
| C4 | C3 | C24 | C15 | 0.1° | 0.3° |
| C4 | C3 | C2 | N25 | 68.4° | 40.0° |
| C4 | C3 | C24 | H24 | 179.9° | 179.9° |
| C4 | C3 | C2 | H2 | 172.7° | 160.0° |
| C4 | C5 | C6 | C14 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 174.5° | 180.0° |
| C4 | C5 | C14 | C15 | 0.0° | 0.3° |
| C5 | C4 | C3 | C24 | 0.2° | 0.0° |
| C4 | C5 | C6 | C13 | 5.5° | 0.0° |
| C4 | C5 | C14 | H14 | 180.0° | 180.0° |
| C5 | C6 | C7 | C13 | 180.0° | 179.9° |
| C5 | C6 | C7 | N8 | 180.0° | 180.0° |
| C5 | C6 | C13 | N12 | 180.0° | 179.7° |
| C6 | C5 | C14 | C15 | 179.9° | 179.7° |
| C5 | C6 | C7 | H7 | 0.0° | 0.4° |
| C5 | C6 | C13 | H13 | 0.0° | 0.1° |
| C6 | C5 | C4 | H4 | 0.0° | 0.0° |
| C6 | C5 | C14 | H14 | 0.1° | 0.0° |
| C6 | C7 | N8 | H7 | 180.0° | 179.6° |
| C6 | C7 | N8 | C9 | 179.1° | 179.8° |
| C6 | C7 | N8 | N12 | 0.0° | 0.3° |
| C7 | C6 | C13 | N12 | 0.0° | 0.2° |
| C7 | C6 | C5 | C14 | 5.6° | 0.0° |
| C7 | C6 | C13 | H13 | 180.0° | 180.0° |
| C7 | N8 | C9 | N12 | 179.0° | 179.9° |
| C7 | N8 | C9 | F10 | 155.0° | 150.0° |
| C7 | N8 | C9 | F11 | 39.6° | 30.0° |
| C7 | N8 | N12 | C13 | 0.0° | 0.4° |
| N8 | C7 | C6 | C13 | 0.0° | 0.1° |
| C7 | N8 | C9 | H9 | 82.7° | 90.0° |
| N8 | C9 | F10 | F11 | 118.0° | 120.0° |
| N8 | C9 | F10 | H9 | 121.6° | 120.0° |
| N8 | C9 | F11 | H9 | 121.6° | 120.0° |
| C9 | N8 | N12 | C13 | 179.2° | 179.6° |
| C9 | N8 | C7 | H7 | 0.9° | 0.1° |
| F10 | C9 | F11 | H9 | 120.3° | 119.9° |
| F10 | C9 | N8 | N12 | 26.0° | 30.0° |
| F11 | C9 | N8 | N12 | 141.4° | 150.0° |
| N8 | N12 | C13 | C6 | 0.0° | 0.4° |
| N12 | N8 | C7 | H7 | 180.0° | 179.9° |
| N12 | N8 | C9 | H9 | 96.3° | 89.9° |
| N8 | N12 | C13 | H13 | 180.0° | 179.8° |
| N12 | C13 | C6 | H13 | 180.0° | 179.8° |
| C5 | C14 | C15 | H14 | 180.0° | 179.7° |
| C5 | C14 | C15 | C16 | 179.7° | 180.0° |
| C5 | C14 | C15 | C24 | 0.0° | 0.6° |
| C14 | C5 | C6 | C13 | 174.4° | 180.0° |
| C14 | C5 | C4 | H4 | 179.9° | 180.0° |
| C14 | C15 | C16 | C24 | 179.7° | 179.4° |
| C14 | C15 | C16 | C17 | 178.9° | 0.3° |
| C14 | C15 | C24 | C3 | 0.1° | 0.6° |
| C14 | C15 | C16 | C23 | 1.1° | 180.0° |
| C14 | C15 | C24 | H24 | 179.9° | 179.8° |
| C15 | C16 | C17 | C23 | 180.0° | 179.7° |
| C15 | C16 | C17 | N18 | 180.0° | 179.9° |
| C15 | C16 | C23 | N22 | 180.0° | 180.0° |
| C16 | C15 | C24 | C3 | 179.7° | 180.0° |
| C15 | C16 | C23 | H23 | 0.0° | 0.1° |
| C16 | C15 | C24 | H24 | 0.3° | 0.4° |
| C16 | C15 | C14 | H14 | 0.3° | 0.3° |
| C15 | C16 | C17 | H17 | 0.0° | 0.2° |
| C16 | C17 | N18 | H17 | 180.0° | 179.7° |
| C16 | C17 | N18 | C19 | 180.0° | 179.9° |
| C16 | C17 | N18 | N22 | 0.0° | 0.4° |
| C17 | C16 | C23 | N22 | 0.0° | 0.3° |
| C17 | C16 | C15 | C24 | 0.8° | 179.7° |
| C17 | C16 | C23 | H23 | 180.0° | 179.8° |
| C17 | N18 | C19 | N22 | 180.0° | 179.7° |
| C17 | N18 | C19 | O20 | 102.2° | 0.3° |
| C17 | N18 | N22 | C23 | 0.0° | 0.2° |
| N18 | C17 | C16 | C23 | 0.0° | 0.4° |
| C17 | N18 | C19 | H19A | 137.5° | 119.7° |
| C17 | N18 | C19 | H19B | 18.1° | 120.3° |
| N18 | C19 | O20 | H19A | 120.3° | 120.1° |
| N18 | C19 | O20 | H19B | 120.3° | 120.0° |
| N18 | C19 | O20 | C21 | 156.3° | 180.0° |
| C19 | N18 | N22 | C23 | 180.0° | 179.9° |
| N18 | C19 | H19A | H19B | 119.0° | 120.0° |
| C19 | N18 | C17 | H17 | 0.0° | 0.2° |
| O20 | C19 | N18 | N22 | 77.8° | 180.0° |
| O20 | C19 | H19A | H19B | 119.0° | 119.9° |
| C19 | O20 | C21 | H21B | 180.0° | 180.0° |
| C19 | O20 | C21 | H21A | 60.0° | 59.9° |
| C19 | O20 | C21 | H21C | 60.0° | 60.0° |
| C21 | O20 | C19 | H19A | 36.0° | 59.9° |
| C21 | O20 | C19 | H19B | 83.4° | 60.0° |
| O20 | C21 | H21B | H21A | 120.0° | 120.1° |
| O20 | C21 | H21B | H21C | 120.0° | 120.0° |
| O20 | C21 | H21A | H21C | 120.0° | 120.0° |
| N18 | N22 | C23 | C16 | 0.0° | 0.1° |
| N22 | N18 | C19 | H19A | 42.5° | 60.0° |
| N22 | N18 | C19 | H19B | 161.9° | 60.0° |
| N18 | N22 | C23 | H23 | 180.0° | 179.9° |
| N22 | N18 | C17 | H17 | 180.0° | 180.0° |
| N22 | C23 | C16 | H23 | 180.0° | 179.9° |
| C15 | C24 | C3 | H24 | 180.0° | 179.7° |
| C24 | C15 | C16 | C23 | 179.2° | 0.6° |
| C24 | C15 | C14 | H14 | 180.0° | 179.7° |
| C2 | N25 | C26 | H25 | 180.0° | 180.0° |
| C2 | N25 | C26 | C27 | 177.1° | 180.0° |
| C2 | N25 | C26 | O40 | 2.3° | 0.1° |
| N25 | C2 | C3 | C24 | 113.8° | 140.0° |
| N25 | C2 | C1 | H1B | 54.8° | 60.0° |
| N25 | C2 | C1 | H1A | 174.8° | 180.0° |
| N25 | C2 | C1 | H1C | 65.2° | 60.0° |
| N25 | C26 | C27 | O40 | 179.4° | 179.9° |
| N25 | C26 | C27 | C28 | 79.4° | 5.8° |
| N25 | C26 | C27 | C38 | 100.5° | 174.2° |
| C26 | N25 | C2 | H2 | 52.6° | 35.0° |
| C26 | C27 | C28 | C38 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 179.9° | 180.0° |
| C26 | C27 | C38 | C37 | 179.9° | 180.0° |
| C26 | C27 | C38 | C39 | 0.1° | 0.2° |
| C27 | C26 | N25 | H25 | 2.9° | 0.0° |
| C26 | C27 | C28 | H28 | 0.1° | 0.2° |
| C27 | C28 | C29 | H28 | 180.0° | 179.7° |
| C27 | C28 | C29 | O30 | 179.9° | 179.8° |
| C27 | C28 | C29 | C36 | 0.0° | 0.3° |
| C28 | C27 | C38 | C37 | 0.1° | 0.0° |
| C28 | C27 | C38 | C39 | 179.9° | 179.7° |
| C28 | C27 | C26 | O40 | 101.2° | 174.3° |
| C28 | C29 | O30 | C36 | 179.9° | 180.0° |
| C28 | C29 | O30 | C31 | 7.0° | 180.0° |
| C28 | C29 | C36 | C37 | 0.0° | 0.6° |
| C29 | C28 | C27 | C38 | 0.0° | 0.0° |
| C28 | C29 | C36 | H36 | 180.0° | 180.0° |
| C29 | O30 | C31 | C32 | 156.9° | 180.0° |
| O30 | C29 | C36 | C37 | 179.9° | 179.5° |
| O30 | C29 | C28 | H28 | 0.1° | 0.0° |
| O30 | C29 | C36 | H36 | 0.1° | 0.1° |
| C29 | O30 | C31 | H31A | 83.9° | 60.0° |
| C29 | O30 | C31 | H31B | 37.6° | 60.0° |
| O30 | C31 | C32 | H31A | 119.2° | 119.9° |
| O30 | C31 | C32 | H31B | 119.2° | 120.0° |
| O30 | C31 | C32 | N33 | 151.7° | 65.1° |
| C31 | O30 | C29 | C36 | 172.9° | 0.0° |
| O30 | C31 | H31A | H31B | 122.3° | 120.0° |
| O30 | C31 | C32 | H32B | 87.5° | 175.0° |
| O30 | C31 | C32 | H32A | 31.0° | 55.0° |
| C31 | C32 | N33 | H32B | 120.8° | 119.9° |
| C31 | C32 | N33 | H32A | 120.8° | 120.0° |
| C31 | C32 | N33 | C34 | 15.4° | 66.7° |
| C31 | C32 | N33 | C35 | 110.2° | 169.4° |
| C32 | C31 | H31A | H31B | 122.4° | 120.1° |
| C31 | C32 | H32B | H32A | 117.6° | 120.0° |
| C32 | N33 | C34 | C35 | 126.3° | 123.9° |
| C32 | N33 | C35 | H35B | 180.0° | 55.1° |
| C32 | N33 | C35 | H35C | 60.0° | 175.0° |
| C32 | N33 | C35 | H35A | 60.0° | 65.0° |
| N33 | C32 | C31 | H31A | 32.6° | 175.0° |
| N33 | C32 | C31 | H31B | 89.1° | 55.0° |
| N33 | C32 | H32B | H32A | 117.6° | 120.1° |
| C32 | N33 | C34 | H34A | 180.0° | 60.0° |
| C32 | N33 | C34 | H34B | 60.0° | 180.0° |
| C32 | N33 | C34 | H34C | 60.0° | 60.0° |
| C34 | N33 | C35 | H35B | 53.2° | 179.0° |
| C34 | N33 | C35 | H35C | 173.2° | 61.0° |
| C34 | N33 | C35 | H35A | 66.8° | 59.0° |
| C34 | N33 | C32 | H32B | 105.4° | 53.2° |
| C34 | N33 | C32 | H32A | 136.2° | 173.3° |
| N33 | C34 | H34A | H34B | 120.0° | 120.0° |
| N33 | C34 | H34A | H34C | 120.0° | 119.9° |
| N33 | C34 | H34B | H34C | 120.0° | 120.0° |
| N33 | C35 | H35B | H35C | 120.0° | 120.0° |
| N33 | C35 | H35B | H35A | 120.0° | 120.1° |
| N33 | C35 | H35C | H35A | 120.0° | 120.1° |
| C35 | N33 | C32 | H32B | 129.0° | 70.7° |
| C35 | N33 | C32 | H32A | 10.6° | 49.4° |
| C35 | N33 | C34 | H34A | 53.7° | 63.9° |
| C35 | N33 | C34 | H34B | 66.3° | 56.0° |
| C35 | N33 | C34 | H34C | 173.7° | 176.1° |
| C29 | C36 | C37 | H36 | 180.0° | 179.4° |
| C29 | C36 | C37 | C38 | 0.0° | 0.5° |
| C36 | C29 | C28 | H28 | 180.0° | 180.0° |
| C29 | C36 | C37 | H37 | 179.9° | 179.4° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 179.9° | 180.0° |
| C36 | C37 | C38 | C27 | 0.1° | 0.2° |
| C37 | C38 | C39 | C27 | 180.0° | 179.8° |
| C38 | C37 | C36 | H36 | 180.0° | 179.9° |
| C37 | C38 | C39 | H39B | 90.0° | 96.5° |
| C37 | C38 | C39 | H39C | 150.0° | 143.5° |
| C37 | C38 | C39 | H39A | 30.0° | 23.4° |
| C39 | C38 | C37 | H37 | 0.1° | 0.1° |
| C38 | C39 | H39B | H39C | 120.0° | 120.0° |
| C38 | C39 | H39B | H39A | 120.0° | 120.0° |
| C38 | C39 | H39C | H39A | 120.0° | 120.0° |
| O40 | C26 | C27 | C38 | 78.9° | 5.7° |
| O40 | C26 | N25 | H25 | 177.7° | 180.0° |
| C24 | C3 | C2 | H2 | 5.2° | 20.0° |
| C24 | C3 | C4 | H4 | 179.8° | 180.0° |
| C13 | C6 | C7 | H7 | 180.0° | 179.7° |
| C23 | C16 | C17 | H17 | 180.0° | 179.9° |
| C38 | C27 | C28 | H28 | 179.9° | 179.7° |
| C27 | C38 | C37 | H37 | 179.9° | 179.7° |
| C27 | C38 | C39 | H39B | 90.0° | 83.7° |
| C27 | C38 | C39 | H39C | 30.0° | 36.3° |
| C27 | C38 | C39 | H39A | 150.0° | 156.3° |
| H1B | C1 | H1A | H1C | 120.0° | 120.0° |
| H1B | C1 | C2 | H2 | 62.2° | 60.0° |
| H1A | C1 | C2 | H2 | 57.8° | 60.0° |
| H1C | C1 | C2 | H2 | 177.8° | 179.9° |
| H21B | C21 | H21A | H21C | 120.0° | 120.0° |
| H25 | N25 | C2 | H2 | 127.4° | 145.0° |
| H35B | C35 | H35C | H35A | 120.0° | 120.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.0° |
| H31A | C31 | C32 | H32B | 153.3° | 55.0° |
| H31A | C31 | C32 | H32A | 88.2° | 65.0° |
| H31B | C31 | C32 | H32B | 31.7° | 65.0° |
| H31B | C31 | C32 | H32A | 150.1° | 175.0° |
| H34A | C34 | H34B | H34C | 120.0° | 120.1° |
| H39B | C39 | H39C | H39A | 120.0° | 120.0° |
