YR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | C35 | doub | 1.22Å | 1.25Å | |
| C35 | C34 | sing | 1.41Å | 1.39Å | |
| C35 | C30 | sing | 1.47Å | 1.49Å | |
| C34 | C33 | doub | 1.36Å | 1.40Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | N37 | sing | 1.47Å | 1.46Å | |
| C39 | O40 | sing | 1.43Å | 1.43Å | |
| C33 | N37 | sing | 1.37Å | 1.40Å | |
| C33 | O32 | sing | 1.34Å | 1.38Å | |
| N37 | C42 | sing | 1.47Å | 1.45Å | |
| C30 | S29 | sing | 1.76Å | 1.67Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.46Å | Aromatic |
| S29 | C28 | sing | 1.70Å | 1.75Å | Aromatic |
| C42 | C41 | sing | 1.54Å | 1.53Å | |
| O32 | C31 | sing | 1.36Å | 1.33Å | |
| O40 | C41 | sing | 1.43Å | 1.43Å | |
| C31 | C27 | sing | 1.40Å | 1.50Å | Aromatic |
| C28 | C27 | doub | 1.34Å | 1.41Å | Aromatic |
| C27 | C24 | sing | 1.48Å | 1.49Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C26 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C21 | N20 | sing | 1.40Å | 1.36Å | |
| C12 | C11 | sing | 1.54Å | 1.52Å | |
| C15 | C11 | sing | 1.54Å | 1.53Å | |
| N20 | C17 | sing | 1.38Å | 1.36Å | |
| C11 | N7 | sing | 1.47Å | 1.49Å | |
| N16 | C17 | doub | 1.32Å | 1.36Å | Aromatic |
| N16 | C8 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.46Å | Aromatic |
| N7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| N18 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| C6 | C4 | sing | 1.47Å | 1.50Å | |
| C6 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C9 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | O5 | doub | 1.22Å | 1.22Å | |
| C34 | H1 | sing | 1.08Å | 1.08Å | |
| C38 | H2 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.09Å | 1.10Å | |
| C39 | H4 | sing | 1.09Å | 1.10Å | |
| C39 | H5 | sing | 1.09Å | 1.10Å | |
| C41 | H6 | sing | 1.09Å | 1.10Å | |
| C41 | H7 | sing | 1.09Å | 1.10Å | |
| C42 | H8 | sing | 1.09Å | 1.10Å | |
| C42 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | C35 | C34 | 121.2° | 121.0° |
| O36 | C35 | C30 | 122.5° | 121.0° |
| C34 | C35 | C30 | 116.3° | 117.9° |
| C35 | C34 | C33 | 121.2° | 118.9° |
| C35 | C34 | H1 | 119.4° | 120.5° |
| C35 | C30 | S29 | 130.6° | 131.2° |
| C35 | C30 | C31 | 118.5° | 119.1° |
| C34 | C33 | N37 | 120.2° | 118.9° |
| C34 | C33 | O32 | 122.3° | 122.2° |
| C33 | C34 | H1 | 119.4° | 120.6° |
| C39 | C38 | N37 | 104.9° | 108.4° |
| C38 | C39 | O40 | 107.8° | 109.2° |
| C39 | C38 | H2 | 110.6° | 109.7° |
| C39 | C38 | H3 | 110.6° | 109.7° |
| C38 | C39 | H4 | 109.9° | 109.5° |
| C38 | C39 | H5 | 109.9° | 109.5° |
| C38 | N37 | C33 | 120.9° | 121.0° |
| C38 | N37 | C42 | 119.8° | 118.0° |
| N37 | C38 | H2 | 110.6° | 109.7° |
| N37 | C38 | H3 | 110.6° | 109.7° |
| C39 | O40 | C41 | 113.0° | 114.2° |
| O40 | C39 | H4 | 109.9° | 109.5° |
| O40 | C39 | H5 | 109.9° | 109.6° |
| N37 | C33 | O32 | 117.5° | 118.9° |
| C33 | N37 | C42 | 119.3° | 121.0° |
| C33 | O32 | C31 | 120.5° | 122.9° |
| N37 | C42 | C41 | 104.6° | 108.2° |
| N37 | C42 | H8 | 110.7° | 109.6° |
| N37 | C42 | H9 | 110.7° | 109.7° |
| S29 | C30 | C31 | 111.0° | 109.8° |
| C30 | S29 | C28 | 96.2° | 91.9° |
| C30 | C31 | O32 | 121.2° | 119.1° |
| C30 | C31 | C27 | 110.8° | 111.9° |
| S29 | C28 | C27 | 110.2° | 111.2° |
| S29 | C28 | H10 | 124.9° | 124.4° |
| C42 | C41 | O40 | 111.4° | 109.2° |
| C42 | C41 | H6 | 109.0° | 109.7° |
| C42 | C41 | H7 | 109.0° | 109.5° |
| C41 | C42 | H8 | 110.7° | 109.9° |
| C41 | C42 | H9 | 110.7° | 109.8° |
| O32 | C31 | C27 | 128.0° | 129.0° |
| O40 | C41 | H6 | 109.0° | 109.5° |
| O40 | C41 | H7 | 109.0° | 109.5° |
| C31 | C27 | C28 | 111.8° | 115.2° |
| C31 | C27 | C24 | 122.7° | 122.4° |
| C28 | C27 | C24 | 125.4° | 122.4° |
| C27 | C28 | H10 | 124.9° | 124.4° |
| C27 | C24 | C23 | 118.6° | 120.1° |
| C27 | C24 | C25 | 121.6° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.9° |
| C24 | C23 | C22 | 120.5° | 120.0° |
| C24 | C23 | H11 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.7° | 119.9° |
| C24 | C25 | H13 | 120.2° | 120.0° |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C22 | C23 | H11 | 119.8° | 120.0° |
| C23 | C22 | H12 | 119.8° | 120.0° |
| C25 | C26 | C21 | 120.7° | 120.1° |
| C26 | C25 | H13 | 120.2° | 120.1° |
| C25 | C26 | H14 | 119.6° | 120.0° |
| C22 | C21 | C26 | 119.0° | 120.1° |
| C22 | C21 | N20 | 122.3° | 119.9° |
| C21 | C22 | H12 | 119.8° | 120.0° |
| C14 | C13 | C12 | 106.5° | 104.2° |
| C13 | C14 | C15 | 107.2° | 102.8° |
| C14 | C13 | H27 | 110.2° | 110.5° |
| C14 | C13 | H28 | 110.2° | 110.5° |
| C13 | C14 | H29 | 110.1° | 110.8° |
| C13 | C14 | H30 | 110.0° | 110.8° |
| C13 | C12 | C11 | 106.9° | 106.6° |
| C13 | C12 | H25 | 110.1° | 110.0° |
| C13 | C12 | H26 | 110.1° | 110.1° |
| C12 | C13 | H27 | 110.2° | 110.5° |
| C12 | C13 | H28 | 110.2° | 110.5° |
| C26 | C21 | N20 | 118.7° | 119.9° |
| C21 | C26 | H14 | 119.6° | 120.0° |
| C14 | C15 | C11 | 107.9° | 104.1° |
| C15 | C14 | H29 | 110.1° | 110.7° |
| C15 | C14 | H30 | 110.1° | 110.7° |
| C14 | C15 | H31 | 109.9° | 110.4° |
| C14 | C15 | H32 | 109.9° | 110.5° |
| C21 | N20 | C17 | 126.1° | 120.0° |
| C21 | N20 | H15 | 117.0° | 120.1° |
| C12 | C11 | C15 | 106.5° | 106.7° |
| C12 | C11 | N7 | 109.0° | 110.1° |
| C12 | C11 | H24 | 109.5° | 110.0° |
| C11 | C12 | H25 | 110.1° | 110.0° |
| C11 | C12 | H26 | 110.1° | 110.0° |
| C15 | C11 | N7 | 112.3° | 110.0° |
| C15 | C11 | H24 | 109.5° | 110.0° |
| C11 | C15 | H31 | 109.9° | 110.5° |
| C11 | C15 | H32 | 109.9° | 110.5° |
| N20 | C17 | N16 | 121.7° | 118.8° |
| N20 | C17 | N18 | 117.7° | 118.8° |
| C17 | N20 | H15 | 117.0° | 120.0° |
| C11 | N7 | C8 | 126.7° | 125.5° |
| C11 | N7 | C6 | 122.4° | 125.6° |
| N7 | C11 | H24 | 109.9° | 110.0° |
| C17 | N16 | C8 | 120.5° | 120.5° |
| N16 | C17 | N18 | 120.6° | 122.4° |
| N16 | C8 | N7 | 137.0° | 134.0° |
| N16 | C8 | C9 | 118.5° | 118.7° |
| C17 | N18 | C19 | 122.9° | 121.2° |
| N7 | C8 | C9 | 104.5° | 107.4° |
| C8 | N7 | C6 | 110.9° | 108.9° |
| C8 | C9 | C19 | 119.1° | 118.6° |
| C8 | C9 | C10 | 110.1° | 107.1° |
| N7 | C6 | C4 | 123.5° | 125.5° |
| N7 | C6 | C10 | 111.8° | 109.1° |
| C3 | N1 | C2 | 115.0° | 120.0° |
| C3 | N1 | C4 | 123.1° | 120.0° |
| N1 | C3 | H21 | 109.5° | 109.5° |
| N1 | C3 | H22 | 109.5° | 109.4° |
| N1 | C3 | H23 | 109.5° | 109.5° |
| N18 | C19 | C9 | 118.4° | 118.6° |
| N18 | C19 | H16 | 120.8° | 120.7° |
| C2 | N1 | C4 | 121.8° | 119.9° |
| N1 | C2 | H18 | 109.5° | 109.5° |
| N1 | C2 | H19 | 109.5° | 109.5° |
| N1 | C2 | H20 | 109.5° | 109.5° |
| N1 | C4 | C6 | 119.3° | 120.0° |
| N1 | C4 | O5 | 121.2° | 120.1° |
| C4 | C6 | C10 | 124.7° | 125.4° |
| C6 | C4 | O5 | 119.4° | 120.0° |
| C6 | C10 | C9 | 102.7° | 107.6° |
| C6 | C10 | H17 | 128.7° | 126.2° |
| C19 | C9 | C10 | 130.8° | 134.4° |
| C9 | C19 | H16 | 120.8° | 120.7° |
| C9 | C10 | H17 | 128.6° | 126.2° |
| H2 | C38 | H3 | 109.4° | 109.7° |
| H4 | C39 | H5 | 109.5° | 109.6° |
| H6 | C41 | H7 | 109.5° | 109.5° |
| H8 | C42 | H9 | 109.5° | 109.7° |
| H18 | C2 | H19 | 109.4° | 109.5° |
| H18 | C2 | H20 | 109.5° | 109.4° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.4° | 109.5° |
| H21 | C3 | H23 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.4° | 110.0° |
| H27 | C13 | H28 | 109.5° | 110.5° |
| H29 | C14 | H30 | 109.5° | 110.8° |
| H31 | C15 | H32 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | C35 | C34 | C30 | 179.9° | 179.7° |
| O36 | C35 | C34 | C33 | 179.9° | 180.0° |
| O36 | C35 | C30 | S29 | 0.1° | 0.1° |
| O36 | C35 | C30 | C31 | 180.0° | 179.8° |
| O36 | C35 | C34 | H1 | 0.1° | 0.1° |
| C35 | C34 | C33 | H1 | 180.0° | 179.9° |
| C35 | C34 | C33 | N37 | 179.8° | 180.0° |
| C35 | C34 | C33 | O32 | 0.1° | 0.0° |
| C34 | C35 | C30 | S29 | 180.0° | 179.8° |
| C34 | C35 | C30 | C31 | 0.1° | 0.5° |
| C30 | C35 | C34 | C33 | 0.0° | 0.3° |
| C35 | C30 | S29 | C31 | 179.9° | 179.7° |
| C35 | C30 | S29 | C28 | 180.0° | 180.0° |
| C35 | C30 | C31 | O32 | 0.1° | 0.5° |
| C35 | C30 | C31 | C27 | 179.9° | 179.7° |
| C30 | C35 | C34 | H1 | 180.0° | 179.8° |
| C34 | C33 | N37 | C38 | 28.3° | 154.0° |
| C34 | C33 | N37 | O32 | 179.7° | 179.9° |
| C34 | C33 | N37 | C42 | 151.7° | 25.7° |
| C34 | C33 | O32 | C31 | 0.1° | 0.0° |
| C39 | C38 | N37 | H2 | 119.3° | 119.7° |
| C39 | C38 | N37 | H3 | 119.3° | 119.7° |
| C38 | C39 | O40 | H4 | 119.7° | 119.9° |
| C38 | C39 | O40 | H5 | 119.7° | 119.9° |
| C39 | C38 | N37 | C33 | 154.1° | 129.5° |
| C39 | C38 | N37 | C42 | 26.0° | 50.8° |
| C38 | C39 | O40 | C41 | 72.9° | 62.6° |
| C39 | C38 | H2 | H3 | 122.1° | 120.5° |
| C38 | C39 | H4 | H5 | 120.8° | 120.1° |
| N37 | C38 | C39 | O40 | 40.7° | 52.3° |
| C38 | N37 | C33 | C42 | 180.0° | 179.7° |
| C38 | N37 | C33 | O32 | 151.4° | 26.0° |
| C38 | N37 | C42 | C41 | 64.1° | 50.8° |
| N37 | C38 | H2 | H3 | 122.1° | 120.6° |
| N37 | C38 | C39 | H4 | 160.5° | 67.6° |
| N37 | C38 | C39 | H5 | 79.0° | 172.2° |
| C38 | N37 | C42 | H8 | 55.1° | 69.0° |
| C38 | N37 | C42 | H9 | 176.6° | 170.5° |
| C39 | O40 | C41 | C42 | 31.5° | 62.7° |
| O40 | C39 | C38 | H2 | 160.0° | 172.0° |
| O40 | C39 | C38 | H3 | 78.6° | 67.4° |
| O40 | C39 | H4 | H5 | 120.8° | 120.2° |
| C39 | O40 | C41 | H6 | 88.8° | 57.3° |
| C39 | O40 | C41 | H7 | 151.8° | 177.4° |
| C33 | N37 | C42 | C41 | 115.9° | 129.4° |
| N37 | C33 | O32 | C31 | 179.8° | 179.9° |
| N37 | C33 | C34 | H1 | 0.2° | 0.1° |
| C33 | N37 | C38 | H2 | 86.7° | 9.8° |
| C33 | N37 | C38 | H3 | 34.8° | 110.8° |
| C33 | N37 | C42 | H8 | 124.9° | 110.8° |
| C33 | N37 | C42 | H9 | 3.3° | 9.7° |
| O32 | C33 | N37 | C42 | 28.6° | 154.2° |
| C33 | O32 | C31 | C30 | 0.0° | 0.2° |
| C33 | O32 | C31 | C27 | 179.7° | 180.0° |
| O32 | C33 | C34 | H1 | 179.9° | 180.0° |
| N37 | C42 | C41 | H8 | 119.2° | 119.6° |
| N37 | C42 | C41 | H9 | 119.2° | 119.6° |
| N37 | C42 | C41 | O40 | 31.1° | 52.6° |
| C42 | N37 | C38 | H2 | 93.3° | 170.5° |
| C42 | N37 | C38 | H3 | 145.3° | 69.0° |
| N37 | C42 | C41 | H6 | 151.4° | 67.4° |
| N37 | C42 | C41 | H7 | 89.2° | 172.4° |
| N37 | C42 | H8 | H9 | 122.2° | 120.5° |
| S29 | C30 | C31 | O32 | 180.0° | 179.7° |
| S29 | C30 | C31 | C27 | 0.2° | 0.1° |
| C30 | S29 | C28 | C27 | 0.0° | 0.6° |
| C30 | S29 | C28 | H10 | 180.0° | 180.0° |
| C31 | C30 | S29 | C28 | 0.1° | 0.3° |
| C30 | C31 | O32 | C27 | 179.7° | 179.8° |
| C30 | C31 | C27 | C28 | 0.3° | 0.5° |
| C30 | C31 | C27 | C24 | 179.9° | 179.8° |
| S29 | C28 | C27 | C31 | 0.2° | 0.7° |
| S29 | C28 | C27 | H10 | 180.0° | 179.4° |
| S29 | C28 | C27 | C24 | 179.8° | 180.0° |
| C42 | C41 | O40 | H6 | 120.3° | 120.1° |
| C42 | C41 | O40 | H7 | 120.3° | 119.8° |
| C42 | C41 | H6 | H7 | 119.1° | 120.1° |
| C41 | C42 | H8 | H9 | 122.3° | 120.8° |
| O32 | C31 | C27 | C28 | 180.0° | 179.3° |
| O32 | C31 | C27 | C24 | 0.4° | 0.0° |
| C41 | O40 | C39 | H4 | 167.4° | 57.3° |
| C41 | O40 | C39 | H5 | 46.8° | 177.5° |
| O40 | C41 | H6 | H7 | 119.1° | 120.1° |
| O40 | C41 | C42 | H8 | 88.1° | 67.1° |
| O40 | C41 | C42 | H9 | 150.3° | 172.2° |
| C31 | C27 | C28 | C24 | 179.6° | 179.2° |
| C31 | C27 | C24 | C23 | 30.5° | 130.0° |
| C31 | C27 | C24 | C25 | 149.7° | 50.3° |
| C31 | C27 | C28 | H10 | 179.8° | 179.8° |
| C28 | C27 | C24 | C23 | 149.1° | 49.2° |
| C28 | C27 | C24 | C25 | 30.7° | 130.5° |
| C27 | C24 | C23 | C25 | 179.9° | 179.7° |
| C27 | C24 | C23 | C22 | 179.5° | 180.0° |
| C27 | C24 | C25 | C26 | 179.8° | 180.0° |
| C24 | C27 | C28 | H10 | 0.2° | 0.6° |
| C27 | C24 | C23 | H11 | 0.5° | 0.0° |
| C27 | C24 | C25 | H13 | 0.2° | 0.0° |
| C24 | C23 | C22 | H11 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.2° |
| C24 | C23 | C22 | C21 | 1.1° | 0.1° |
| C24 | C23 | C22 | H12 | 178.9° | 180.0° |
| C23 | C24 | C25 | H13 | 179.7° | 179.8° |
| C25 | C24 | C23 | C22 | 0.6° | 0.2° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C24 | C25 | C26 | C21 | 0.6° | 0.0° |
| C25 | C24 | C23 | H11 | 179.4° | 179.7° |
| C24 | C25 | C26 | H14 | 179.4° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 1.3° | 0.4° |
| C23 | C22 | C21 | N20 | 179.9° | 180.0° |
| C25 | C26 | C21 | C22 | 1.1° | 0.3° |
| C25 | C26 | C21 | H14 | 180.0° | 180.0° |
| C25 | C26 | C21 | N20 | 179.7° | 180.0° |
| C22 | C21 | C26 | N20 | 178.6° | 179.7° |
| C22 | C21 | N20 | C17 | 29.8° | 145.4° |
| C21 | C22 | C23 | H11 | 178.9° | 180.0° |
| C22 | C21 | C26 | H14 | 178.9° | 179.7° |
| C22 | C21 | N20 | H15 | 150.2° | 34.5° |
| C14 | C13 | C12 | H27 | 119.5° | 118.7° |
| C14 | C13 | C12 | H28 | 119.5° | 118.7° |
| C13 | C14 | C15 | H29 | 119.7° | 118.4° |
| C13 | C14 | C15 | H30 | 119.6° | 118.4° |
| C14 | C13 | C12 | C11 | 22.9° | 23.6° |
| C13 | C14 | C15 | C11 | 4.3° | 37.9° |
| C14 | C13 | C12 | H25 | 96.7° | 95.7° |
| C14 | C13 | C12 | H26 | 142.6° | 142.9° |
| C14 | C13 | H27 | H28 | 121.3° | 122.6° |
| C13 | C14 | H29 | H30 | 121.0° | 123.3° |
| C13 | C14 | C15 | H31 | 115.5° | 80.7° |
| C13 | C14 | C15 | H32 | 124.0° | 156.6° |
| C12 | C13 | C14 | C15 | 16.7° | 37.9° |
| C13 | C12 | C11 | H25 | 119.6° | 119.2° |
| C13 | C12 | C11 | H26 | 119.6° | 119.4° |
| C13 | C12 | C11 | C15 | 20.2° | 0.1° |
| C13 | C12 | C11 | N7 | 101.2° | 119.3° |
| C13 | C12 | C11 | H24 | 138.5° | 119.3° |
| C13 | C12 | H25 | H26 | 121.2° | 121.5° |
| C12 | C13 | H27 | H28 | 121.4° | 122.6° |
| C12 | C13 | C14 | H29 | 136.4° | 80.4° |
| C12 | C13 | C14 | H30 | 102.9° | 156.3° |
| C26 | C21 | N20 | C17 | 151.6° | 34.9° |
| C26 | C21 | C22 | H12 | 178.7° | 179.8° |
| C21 | C26 | C25 | H13 | 179.4° | 180.0° |
| C26 | C21 | N20 | H15 | 28.4° | 145.1° |
| C14 | C15 | C11 | C12 | 9.8° | 23.6° |
| C14 | C15 | C11 | H31 | 119.8° | 118.6° |
| C14 | C15 | C11 | H32 | 119.7° | 118.7° |
| C14 | C15 | C11 | N7 | 109.4° | 95.7° |
| C14 | C15 | C11 | H24 | 128.2° | 142.9° |
| C15 | C14 | C13 | H27 | 136.3° | 156.6° |
| C15 | C14 | C13 | H28 | 102.8° | 80.7° |
| C15 | C14 | H29 | H30 | 121.1° | 123.3° |
| C14 | C15 | H31 | H32 | 120.7° | 122.6° |
| C21 | N20 | C17 | H15 | 180.0° | 180.0° |
| C21 | N20 | C17 | N16 | 15.2° | 174.2° |
| C21 | N20 | C17 | N18 | 165.9° | 5.6° |
| N20 | C21 | C22 | H12 | 0.1° | 0.1° |
| N20 | C21 | C26 | H14 | 0.3° | 0.0° |
| C12 | C11 | C15 | N7 | 119.3° | 119.4° |
| C12 | C11 | C15 | H24 | 118.3° | 119.3° |
| C12 | C11 | N7 | H24 | 120.1° | 121.4° |
| C12 | C11 | N7 | C8 | 81.3° | 63.5° |
| C12 | C11 | N7 | C6 | 97.4° | 116.6° |
| C11 | C12 | H25 | H26 | 121.2° | 121.4° |
| C11 | C12 | C13 | H27 | 142.5° | 142.2° |
| C11 | C12 | C13 | H28 | 96.6° | 95.1° |
| C12 | C11 | C15 | H31 | 129.6° | 95.0° |
| C12 | C11 | C15 | H32 | 109.9° | 142.3° |
| C15 | C11 | N7 | H24 | 122.1° | 121.4° |
| C15 | C11 | N7 | C8 | 36.5° | 53.8° |
| C15 | C11 | N7 | C6 | 144.8° | 126.1° |
| C15 | C11 | C12 | H25 | 99.4° | 119.3° |
| C15 | C11 | C12 | H26 | 139.8° | 119.3° |
| C11 | C15 | C14 | H29 | 123.9° | 80.4° |
| C11 | C15 | C14 | H30 | 115.4° | 156.3° |
| C11 | C15 | H31 | H32 | 120.7° | 122.7° |
| N20 | C17 | N16 | N18 | 178.9° | 179.8° |
| N20 | C17 | N16 | C8 | 179.8° | 180.0° |
| N20 | C17 | N18 | C19 | 179.8° | 180.0° |
| C11 | N7 | C8 | N16 | 1.1° | 0.0° |
| C11 | N7 | C8 | C6 | 178.8° | 179.9° |
| C11 | N7 | C8 | C9 | 179.4° | 179.5° |
| C11 | N7 | C6 | C4 | 1.1° | 0.3° |
| C11 | N7 | C6 | C10 | 179.6° | 179.6° |
| N7 | C11 | C12 | H25 | 139.2° | 0.1° |
| N7 | C11 | C12 | H26 | 18.4° | 121.3° |
| N7 | C11 | C15 | H31 | 10.3° | 145.7° |
| N7 | C11 | C15 | H32 | 130.8° | 22.9° |
| C17 | N16 | C8 | N7 | 180.0° | 179.5° |
| C17 | N16 | C8 | C9 | 0.6° | 0.0° |
| N16 | C17 | N18 | C19 | 0.8° | 0.3° |
| N16 | C17 | N20 | H15 | 164.8° | 5.8° |
| C8 | N16 | C17 | N18 | 0.9° | 0.3° |
| N16 | C8 | N7 | C9 | 179.5° | 179.5° |
| N16 | C8 | N7 | C6 | 179.9° | 179.9° |
| N16 | C8 | C9 | C19 | 0.3° | 0.2° |
| N16 | C8 | C9 | C10 | 179.9° | 179.9° |
| C17 | N18 | C19 | C9 | 0.4° | 0.0° |
| N18 | C17 | N20 | H15 | 14.1° | 174.4° |
| C17 | N18 | C19 | H16 | 179.5° | 180.0° |
| C8 | N7 | C6 | C4 | 180.0° | 179.8° |
| C8 | N7 | C6 | C10 | 0.8° | 0.3° |
| N7 | C8 | C9 | C19 | 179.8° | 179.8° |
| N7 | C8 | C9 | C10 | 0.3° | 0.3° |
| C8 | N7 | C11 | H24 | 158.7° | 175.1° |
| C9 | C8 | N7 | C6 | 0.6° | 0.4° |
| C8 | C9 | C19 | N18 | 0.2° | 0.2° |
| C8 | C9 | C10 | C6 | 0.1° | 0.2° |
| C8 | C9 | C19 | C10 | 179.8° | 179.8° |
| C8 | C9 | C19 | H16 | 179.8° | 179.7° |
| C8 | C9 | C10 | H17 | 179.9° | 179.7° |
| N7 | C6 | C4 | N1 | 91.3° | 171.1° |
| N7 | C6 | C4 | C10 | 179.2° | 179.9° |
| N7 | C6 | C10 | C9 | 0.5° | 0.1° |
| N7 | C6 | C4 | O5 | 87.3° | 8.9° |
| N7 | C6 | C10 | H17 | 179.5° | 180.0° |
| C6 | N7 | C11 | H24 | 22.7° | 4.7° |
| C3 | N1 | C2 | C4 | 180.0° | 179.9° |
| C3 | N1 | C4 | C6 | 13.2° | 6.1° |
| C3 | N1 | C4 | O5 | 168.2° | 173.8° |
| C3 | N1 | C2 | H18 | 180.0° | 180.0° |
| C3 | N1 | C2 | H19 | 60.0° | 59.9° |
| C3 | N1 | C2 | H20 | 60.0° | 60.1° |
| N1 | C3 | H21 | H22 | 120.0° | 120.0° |
| N1 | C3 | H21 | H23 | 120.0° | 120.0° |
| N1 | C3 | H22 | H23 | 120.0° | 120.0° |
| N18 | C19 | C9 | H16 | 180.0° | 179.9° |
| N18 | C19 | C9 | C10 | 180.0° | 180.0° |
| C2 | N1 | C4 | C6 | 166.8° | 173.8° |
| C2 | N1 | C4 | O5 | 11.8° | 6.2° |
| N1 | C2 | H18 | H19 | 120.0° | 120.1° |
| N1 | C2 | H18 | H20 | 120.0° | 120.0° |
| N1 | C2 | H19 | H20 | 120.0° | 120.0° |
| C2 | N1 | C3 | H21 | 180.0° | 93.4° |
| C2 | N1 | C3 | H22 | 60.0° | 146.6° |
| C2 | N1 | C3 | H23 | 60.0° | 26.7° |
| N1 | C4 | C6 | O5 | 178.7° | 180.0° |
| N1 | C4 | C6 | C10 | 89.5° | 8.8° |
| C4 | N1 | C2 | H18 | 0.0° | 0.1° |
| C4 | N1 | C2 | H19 | 120.0° | 120.0° |
| C4 | N1 | C2 | H20 | 120.0° | 120.0° |
| C4 | N1 | C3 | H21 | 0.0° | 86.6° |
| C4 | N1 | C3 | H22 | 120.0° | 33.4° |
| C4 | N1 | C3 | H23 | 120.0° | 153.4° |
| C4 | C6 | C10 | C9 | 179.8° | 180.0° |
| C4 | C6 | C10 | H17 | 0.2° | 0.2° |
| C6 | C10 | C9 | C19 | 179.7° | 180.0° |
| C6 | C10 | C9 | H17 | 180.0° | 179.9° |
| C10 | C6 | C4 | O5 | 91.8° | 171.2° |
| C19 | C9 | C10 | H17 | 0.3° | 0.1° |
| C10 | C9 | C19 | H16 | 0.0° | 0.1° |
| H2 | C38 | C39 | H4 | 80.2° | 52.1° |
| H2 | C38 | C39 | H5 | 40.3° | 68.0° |
| H3 | C38 | C39 | H4 | 41.2° | 172.7° |
| H3 | C38 | C39 | H5 | 161.7° | 52.5° |
| H6 | C41 | C42 | H8 | 32.2° | 172.9° |
| H6 | C41 | C42 | H9 | 89.4° | 52.2° |
| H7 | C41 | C42 | H8 | 151.6° | 52.8° |
| H7 | C41 | C42 | H9 | 30.1° | 68.0° |
| H11 | C23 | C22 | H12 | 1.1° | 0.1° |
| H13 | C25 | C26 | H14 | 0.6° | 0.0° |
| H18 | C2 | H19 | H20 | 120.0° | 119.9° |
| H21 | C3 | H22 | H23 | 120.0° | 120.0° |
| H24 | C11 | C12 | H25 | 18.9° | 121.4° |
| H24 | C11 | C12 | H26 | 101.9° | 0.0° |
| H24 | C11 | C15 | H31 | 112.1° | 24.3° |
| H24 | C11 | C15 | H32 | 8.4° | 98.4° |
| H25 | C12 | C13 | H27 | 22.9° | 23.0° |
| H25 | C12 | C13 | H28 | 143.8° | 145.7° |
| H26 | C12 | C13 | H27 | 97.9° | 98.4° |
| H26 | C12 | C13 | H28 | 23.0° | 24.2° |
| H27 | C13 | C14 | H29 | 104.0° | 38.3° |
| H27 | C13 | C14 | H30 | 16.6° | 85.1° |
| H28 | C13 | C14 | H29 | 16.9° | 160.9° |
| H28 | C13 | C14 | H30 | 137.6° | 37.6° |
| H29 | C14 | C15 | H31 | 4.1° | 160.9° |
| H29 | C14 | C15 | H32 | 116.3° | 38.3° |
| H30 | C14 | C15 | H31 | 124.9° | 37.7° |
| H30 | C14 | C15 | H32 | 4.4° | 85.0° |
