GT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C1 | sing | 1.31Å | 1.35Å | Aromatic |
| N2 | C3 | doub | 1.29Å | 1.35Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | S5 | sing | 1.71Å | 1.64Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.33Å | |
| C6 | S5 | sing | 1.76Å | 1.62Å | Aromatic |
| O44 | C7 | doub | 1.22Å | 1.23Å | |
| C7 | N8 | sing | 1.35Å | 1.34Å | |
| C43 | C41 | sing | 1.53Å | 1.54Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| N8 | C9 | sing | 1.47Å | 1.45Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C40 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | O39 | doub | 1.21Å | 1.23Å | |
| C10 | N11 | sing | 1.35Å | 1.34Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C32 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C32 | O36 | sing | 1.43Å | 1.44Å | |
| O31 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | N14 | sing | 1.35Å | 1.33Å | |
| O36 | C34 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C21 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.51Å | 1.40Å | |
| C24 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C25 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.41Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | S27 | sing | 1.81Å | 1.78Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | S27 | sing | 1.81Å | 1.82Å | |
| S27 | O29 | doub | 1.42Å | 1.52Å | |
| S27 | O30 | doub | 1.42Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| N11 | H25 | sing | 0.97Å | 1.00Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| N14 | H32 | sing | 0.97Å | 1.00Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.08Å | 1.08Å | |
| C19 | H38 | sing | 1.08Å | 1.08Å | |
| N22 | H39 | sing | 1.01Å | 1.00Å | |
| N22 | H40 | sing | 1.01Å | 1.00Å | |
| C23 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 111.9° | 117.4° |
| N2 | C1 | C6 | 112.1° | 114.2° |
| N2 | C1 | H13 | 124.0° | 122.9° |
| N2 | C3 | C4 | 127.3° | 124.8° |
| N2 | C3 | S5 | 111.5° | 110.4° |
| C1 | C6 | C7 | 128.0° | 126.2° |
| C1 | C6 | S5 | 111.8° | 107.7° |
| C6 | C1 | H13 | 124.0° | 122.9° |
| C4 | C3 | S5 | 121.2° | 124.8° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.4° |
| C3 | S5 | C6 | 92.6° | 90.3° |
| C7 | C6 | S5 | 120.1° | 126.1° |
| C6 | C7 | O44 | 121.2° | 120.0° |
| C6 | C7 | N8 | 113.6° | 120.0° |
| O44 | C7 | N8 | 125.0° | 120.0° |
| C7 | N8 | C9 | 122.1° | 120.0° |
| C7 | N8 | H14 | 118.9° | 120.0° |
| C43 | C41 | C42 | 110.2° | 109.5° |
| C43 | C41 | C40 | 107.7° | 109.5° |
| C43 | C41 | H18 | 109.2° | 109.5° |
| C41 | C43 | H19 | 109.5° | 109.5° |
| C41 | C43 | H20 | 109.4° | 109.4° |
| C41 | C43 | H21 | 109.5° | 109.5° |
| C42 | C41 | C40 | 111.5° | 109.5° |
| C42 | C41 | H18 | 109.2° | 109.5° |
| C41 | C42 | H22 | 109.5° | 109.5° |
| C41 | C42 | H23 | 109.5° | 109.5° |
| C41 | C42 | H24 | 109.4° | 109.4° |
| N8 | C9 | C40 | 106.6° | 109.5° |
| N8 | C9 | C10 | 105.8° | 109.5° |
| C9 | N8 | H14 | 119.0° | 120.0° |
| N8 | C9 | H15 | 110.7° | 109.5° |
| C41 | C40 | C9 | 113.8° | 109.5° |
| C41 | C40 | H16 | 108.4° | 109.5° |
| C41 | C40 | H17 | 108.4° | 109.5° |
| C40 | C41 | H18 | 109.1° | 109.5° |
| C40 | C9 | C10 | 114.0° | 109.5° |
| C40 | C9 | H15 | 109.7° | 109.5° |
| C9 | C40 | H16 | 108.4° | 109.5° |
| C9 | C40 | H17 | 108.4° | 109.5° |
| C9 | C10 | O39 | 120.6° | 120.0° |
| C9 | C10 | N11 | 113.7° | 120.0° |
| C10 | C9 | H15 | 109.8° | 109.5° |
| O39 | C10 | N11 | 125.6° | 120.0° |
| C10 | N11 | C12 | 121.9° | 120.0° |
| C10 | N11 | H25 | 119.0° | 120.0° |
| N11 | C12 | C32 | 102.8° | 109.5° |
| N11 | C12 | C13 | 114.3° | 109.5° |
| C12 | N11 | H25 | 119.0° | 120.0° |
| N11 | C12 | H26 | 110.7° | 109.5° |
| C32 | C12 | C13 | 109.4° | 109.4° |
| C12 | C32 | O36 | 112.0° | 109.5° |
| C32 | C12 | H26 | 109.7° | 109.5° |
| C12 | C32 | H27 | 108.8° | 109.5° |
| C12 | C32 | H28 | 108.8° | 109.5° |
| C12 | C13 | O31 | 122.0° | 120.0° |
| C12 | C13 | N14 | 112.3° | 120.0° |
| C13 | C12 | H26 | 109.7° | 109.5° |
| C32 | O36 | C34 | 112.2° | 114.0° |
| O36 | C32 | H27 | 108.8° | 109.5° |
| O36 | C32 | H28 | 108.8° | 109.5° |
| O31 | C13 | N14 | 125.6° | 120.0° |
| C13 | N14 | C15 | 123.6° | 120.0° |
| C13 | N14 | H32 | 118.2° | 120.0° |
| O36 | C34 | H29 | 109.5° | 109.5° |
| O36 | C34 | H30 | 109.5° | 109.5° |
| O36 | C34 | H31 | 109.5° | 109.5° |
| C24 | C23 | C20 | 120.4° | 120.0° |
| C23 | C24 | C17 | 121.3° | 120.0° |
| C23 | C24 | H7 | 119.4° | 120.0° |
| C24 | C23 | H42 | 119.8° | 120.1° |
| C23 | C20 | C21 | 118.4° | 120.0° |
| C23 | C20 | C19 | 119.3° | 120.0° |
| C20 | C23 | H42 | 119.8° | 119.9° |
| N22 | C21 | C20 | 112.9° | 109.5° |
| N22 | C21 | H5 | 108.6° | 109.5° |
| N22 | C21 | H6 | 108.6° | 109.5° |
| C21 | N22 | H39 | 109.5° | 111.0° |
| C21 | N22 | H40 | 109.5° | 111.0° |
| C21 | C20 | C19 | 122.3° | 120.0° |
| C20 | C21 | H5 | 108.6° | 109.4° |
| C20 | C21 | H6 | 108.6° | 109.5° |
| C24 | C17 | C18 | 118.0° | 120.0° |
| C24 | C17 | C16 | 124.6° | 120.0° |
| C17 | C24 | H7 | 119.4° | 120.0° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C20 | C19 | H38 | 119.9° | 120.0° |
| N14 | C15 | C16 | 106.9° | 109.5° |
| N14 | C15 | C25 | 110.5° | 109.5° |
| N14 | C15 | H4 | 109.3° | 109.4° |
| C15 | N14 | H32 | 118.2° | 120.0° |
| C16 | C15 | C25 | 113.8° | 109.5° |
| C15 | C16 | C17 | 114.5° | 109.5° |
| C16 | C15 | H4 | 108.1° | 109.5° |
| C15 | C16 | H35 | 108.2° | 109.4° |
| C15 | C16 | H36 | 108.2° | 109.5° |
| C15 | C25 | C26 | 110.1° | 109.5° |
| C25 | C15 | H4 | 108.2° | 109.4° |
| C15 | C25 | H33 | 109.3° | 109.4° |
| C15 | C25 | H34 | 109.3° | 109.5° |
| C18 | C17 | C16 | 117.4° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.1° |
| C17 | C18 | H37 | 119.5° | 120.0° |
| C17 | C16 | H35 | 108.2° | 109.5° |
| C17 | C16 | H36 | 108.2° | 109.5° |
| C19 | C18 | H37 | 119.6° | 120.0° |
| C18 | C19 | H38 | 119.9° | 120.1° |
| C28 | S27 | C26 | 115.0° | 101.9° |
| C28 | S27 | O29 | 107.1° | 108.6° |
| C28 | S27 | O30 | 110.2° | 108.6° |
| S27 | C28 | H10 | 109.5° | 109.4° |
| S27 | C28 | H11 | 109.4° | 109.4° |
| S27 | C28 | H12 | 109.4° | 109.5° |
| C25 | C26 | S27 | 116.5° | 109.5° |
| C25 | C26 | H8 | 107.7° | 109.5° |
| C25 | C26 | H9 | 107.7° | 109.4° |
| C26 | C25 | H33 | 109.3° | 109.5° |
| C26 | C25 | H34 | 109.3° | 109.4° |
| C26 | S27 | O29 | 106.8° | 108.6° |
| C26 | S27 | O30 | 109.5° | 108.6° |
| S27 | C26 | H8 | 107.7° | 109.5° |
| S27 | C26 | H9 | 107.7° | 109.5° |
| O29 | S27 | O30 | 107.9° | 119.2° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.4° | 109.4° |
| H8 | C26 | H9 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H16 | C40 | H17 | 109.5° | 109.4° |
| H19 | C43 | H20 | 109.4° | 109.5° |
| H19 | C43 | H21 | 109.5° | 109.5° |
| H20 | C43 | H21 | 109.5° | 109.5° |
| H22 | C42 | H23 | 109.5° | 109.5° |
| H22 | C42 | H24 | 109.5° | 109.5° |
| H23 | C42 | H24 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H29 | C34 | H31 | 109.4° | 109.4° |
| H30 | C34 | H31 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| H35 | C16 | H36 | 109.5° | 109.5° |
| H39 | N22 | H40 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C6 | H13 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 179.2° | 179.9° |
| C1 | N2 | C3 | S5 | 0.1° | 0.1° |
| N2 | C1 | C6 | C7 | 179.1° | 180.0° |
| N2 | C1 | C6 | S5 | 0.2° | 0.2° |
| C3 | N2 | C1 | C6 | 0.2° | 0.1° |
| N2 | C3 | C4 | S5 | 179.2° | 179.7° |
| N2 | C3 | S5 | C6 | 0.0° | 0.2° |
| N2 | C3 | C4 | H1 | 0.0° | 89.8° |
| N2 | C3 | C4 | H2 | 120.0° | 30.3° |
| N2 | C3 | C4 | H3 | 120.0° | 150.3° |
| C3 | N2 | C1 | H13 | 179.8° | 180.0° |
| C1 | C6 | S5 | C3 | 0.1° | 0.2° |
| C1 | C6 | C7 | S5 | 178.8° | 179.7° |
| C1 | C6 | C7 | O44 | 18.5° | 0.2° |
| C1 | C6 | C7 | N8 | 167.0° | 179.7° |
| C4 | C3 | S5 | C6 | 179.3° | 180.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.1° |
| C3 | C4 | H1 | H3 | 120.0° | 119.9° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C3 | S5 | C6 | C7 | 179.1° | 180.0° |
| S5 | C3 | C4 | H1 | 179.2° | 89.9° |
| S5 | C3 | C4 | H2 | 59.2° | 150.0° |
| S5 | C3 | C4 | H3 | 60.8° | 30.0° |
| C6 | C7 | O44 | N8 | 173.8° | 180.0° |
| C6 | C7 | N8 | C9 | 178.3° | 180.0° |
| C7 | C6 | C1 | H13 | 0.9° | 0.0° |
| C6 | C7 | N8 | H14 | 1.7° | 0.0° |
| S5 | C6 | C7 | O44 | 160.3° | 180.0° |
| S5 | C6 | C7 | N8 | 14.2° | 0.0° |
| S5 | C6 | C1 | H13 | 179.8° | 179.8° |
| O44 | C7 | N8 | C9 | 4.1° | 0.0° |
| O44 | C7 | N8 | H14 | 175.9° | 180.0° |
| C7 | N8 | C9 | H14 | 180.0° | 180.0° |
| C7 | N8 | C9 | C40 | 121.9° | 85.0° |
| C7 | N8 | C9 | C10 | 116.4° | 155.0° |
| C7 | N8 | C9 | H15 | 2.6° | 35.0° |
| C43 | C41 | C42 | C40 | 119.5° | 120.0° |
| C43 | C41 | C42 | H18 | 119.8° | 120.0° |
| C43 | C41 | C40 | H18 | 118.4° | 120.0° |
| C43 | C41 | C40 | C9 | 179.9° | 175.0° |
| C43 | C41 | C40 | H16 | 59.3° | 55.0° |
| C43 | C41 | C40 | H17 | 59.4° | 65.0° |
| C41 | C43 | H19 | H20 | 120.0° | 120.0° |
| C41 | C43 | H19 | H21 | 120.0° | 120.0° |
| C41 | C43 | H20 | H21 | 120.0° | 120.0° |
| C43 | C41 | C42 | H22 | 180.0° | 60.0° |
| C43 | C41 | C42 | H23 | 60.0° | 180.0° |
| C43 | C41 | C42 | H24 | 60.0° | 60.0° |
| C42 | C41 | C40 | H18 | 120.6° | 120.0° |
| C42 | C41 | C40 | C9 | 59.1° | 65.0° |
| C42 | C41 | C40 | H16 | 179.7° | 175.0° |
| C42 | C41 | C40 | H17 | 61.5° | 55.0° |
| C42 | C41 | C43 | H19 | 180.0° | 60.0° |
| C42 | C41 | C43 | H20 | 60.0° | 60.0° |
| C42 | C41 | C43 | H21 | 60.0° | 180.0° |
| C41 | C42 | H22 | H23 | 120.0° | 120.0° |
| C41 | C42 | H22 | H24 | 120.0° | 120.0° |
| C41 | C42 | H23 | H24 | 120.0° | 120.0° |
| N8 | C9 | C40 | C41 | 167.8° | 65.0° |
| N8 | C9 | C40 | C10 | 116.4° | 120.0° |
| N8 | C9 | C40 | H15 | 119.9° | 120.0° |
| N8 | C9 | C10 | H15 | 119.5° | 120.0° |
| N8 | C9 | C10 | O39 | 49.1° | 0.0° |
| N8 | C9 | C10 | N11 | 127.9° | 180.0° |
| N8 | C9 | C40 | H16 | 71.6° | 55.0° |
| N8 | C9 | C40 | H17 | 47.1° | 175.0° |
| C41 | C40 | C9 | H16 | 120.6° | 120.0° |
| C41 | C40 | C9 | H17 | 120.7° | 120.1° |
| C41 | C40 | C9 | C10 | 75.8° | 175.0° |
| C41 | C40 | C9 | H15 | 47.8° | 55.0° |
| C41 | C40 | H16 | H17 | 118.1° | 120.0° |
| C40 | C41 | C43 | H19 | 58.2° | 60.0° |
| C40 | C41 | C43 | H20 | 178.2° | 180.0° |
| C40 | C41 | C43 | H21 | 61.8° | 60.0° |
| C40 | C41 | C42 | H22 | 60.5° | 60.0° |
| C40 | C41 | C42 | H23 | 59.6° | 60.0° |
| C40 | C41 | C42 | H24 | 179.6° | 180.0° |
| C40 | C9 | C10 | H15 | 123.6° | 120.0° |
| C40 | C9 | C10 | O39 | 67.8° | 120.0° |
| C40 | C9 | C10 | N11 | 115.2° | 60.0° |
| C40 | C9 | N8 | H14 | 58.1° | 95.0° |
| C9 | C40 | H16 | H17 | 118.0° | 120.0° |
| C9 | C40 | C41 | H18 | 61.6° | 55.0° |
| C9 | C10 | O39 | N11 | 176.6° | 180.0° |
| C9 | C10 | N11 | C12 | 172.9° | 180.0° |
| C10 | C9 | N8 | H14 | 63.7° | 25.0° |
| C10 | C9 | C40 | H16 | 44.8° | 65.0° |
| C10 | C9 | C40 | H17 | 163.5° | 55.0° |
| C9 | C10 | N11 | H25 | 7.1° | 0.0° |
| O39 | C10 | N11 | C12 | 4.0° | 0.0° |
| O39 | C10 | C9 | H15 | 168.6° | 119.9° |
| O39 | C10 | N11 | H25 | 176.0° | 180.0° |
| C10 | N11 | C12 | H25 | 180.0° | 180.0° |
| C10 | N11 | C12 | C32 | 104.0° | 85.0° |
| C10 | N11 | C12 | C13 | 137.6° | 155.0° |
| N11 | C10 | C9 | H15 | 8.4° | 60.0° |
| C10 | N11 | C12 | H26 | 13.1° | 35.0° |
| N11 | C12 | C32 | C13 | 121.8° | 120.0° |
| N11 | C12 | C32 | H26 | 117.8° | 120.0° |
| N11 | C12 | C13 | H26 | 125.1° | 120.0° |
| N11 | C12 | C32 | O36 | 179.4° | 65.0° |
| N11 | C12 | C13 | O31 | 36.1° | 0.0° |
| N11 | C12 | C13 | N14 | 146.5° | 180.0° |
| N11 | C12 | C32 | H27 | 60.2° | 175.0° |
| N11 | C12 | C32 | H28 | 59.0° | 55.0° |
| C32 | C12 | C13 | H26 | 120.3° | 120.0° |
| C12 | C32 | O36 | H27 | 120.4° | 120.0° |
| C12 | C32 | O36 | H28 | 120.4° | 120.0° |
| C32 | C12 | C13 | O31 | 78.4° | 120.0° |
| C32 | C12 | C13 | N14 | 98.9° | 60.0° |
| C12 | C32 | O36 | C34 | 156.6° | 180.0° |
| C32 | C12 | N11 | H25 | 76.0° | 95.0° |
| C12 | C32 | H27 | H28 | 118.8° | 120.0° |
| C13 | C12 | C32 | O36 | 57.6° | 55.0° |
| C12 | C13 | O31 | N14 | 177.0° | 179.9° |
| C12 | C13 | N14 | C15 | 177.2° | 180.0° |
| C13 | C12 | N11 | H25 | 42.3° | 25.0° |
| C13 | C12 | C32 | H27 | 178.0° | 65.0° |
| C13 | C12 | C32 | H28 | 62.8° | 175.0° |
| C12 | C13 | N14 | H32 | 2.7° | 0.1° |
| O36 | C32 | C12 | H26 | 62.8° | 175.0° |
| O36 | C32 | H27 | H28 | 118.9° | 120.0° |
| C32 | O36 | C34 | H29 | 180.0° | 60.1° |
| C32 | O36 | C34 | H30 | 60.0° | 60.0° |
| C32 | O36 | C34 | H31 | 60.0° | 180.0° |
| O31 | C13 | N14 | C15 | 0.0° | 0.1° |
| O31 | C13 | C12 | H26 | 161.2° | 120.0° |
| O31 | C13 | N14 | H32 | 179.9° | 180.0° |
| C13 | N14 | C15 | H32 | 180.0° | 179.9° |
| C13 | N14 | C15 | C16 | 144.9° | 155.0° |
| C13 | N14 | C15 | C25 | 90.9° | 84.9° |
| C13 | N14 | C15 | H4 | 28.1° | 35.0° |
| N14 | C13 | C12 | H26 | 21.4° | 59.9° |
| C34 | O36 | C32 | H27 | 36.2° | 60.0° |
| C34 | O36 | C32 | H28 | 83.0° | 60.0° |
| O36 | C34 | H29 | H30 | 120.0° | 120.0° |
| O36 | C34 | H29 | H31 | 120.0° | 120.0° |
| O36 | C34 | H30 | H31 | 120.0° | 120.0° |
| C24 | C23 | C20 | H42 | 180.0° | 179.4° |
| C24 | C23 | C20 | C21 | 179.4° | 179.7° |
| C23 | C24 | C17 | H7 | 180.0° | 179.9° |
| C24 | C23 | C20 | C19 | 0.2° | 0.9° |
| C23 | C24 | C17 | C18 | 0.6° | 0.1° |
| C23 | C24 | C17 | C16 | 179.4° | 179.7° |
| C23 | C20 | C21 | N22 | 132.3° | 89.4° |
| C23 | C20 | C21 | C19 | 179.2° | 179.4° |
| C20 | C23 | C24 | C17 | 0.3° | 0.7° |
| C23 | C20 | C19 | C18 | 0.4° | 0.6° |
| C23 | C20 | C21 | H5 | 11.7° | 30.6° |
| C23 | C20 | C21 | H6 | 107.2° | 150.6° |
| C20 | C23 | C24 | H7 | 179.6° | 179.4° |
| C23 | C20 | C19 | H38 | 179.6° | 180.0° |
| N22 | C21 | C20 | H5 | 120.5° | 120.0° |
| N22 | C21 | C20 | H6 | 120.5° | 120.0° |
| N22 | C21 | C20 | C19 | 48.6° | 90.0° |
| N22 | C21 | H5 | H6 | 118.4° | 120.0° |
| C21 | N22 | H39 | H40 | 120.0° | 123.9° |
| C21 | C20 | C19 | C18 | 179.6° | 180.0° |
| C20 | C21 | H5 | H6 | 118.4° | 120.0° |
| C21 | C20 | C19 | H38 | 0.4° | 0.6° |
| C20 | C21 | N22 | H39 | 180.0° | 180.0° |
| C20 | C21 | N22 | H40 | 60.0° | 56.1° |
| C21 | C20 | C23 | H42 | 0.6° | 0.3° |
| C24 | C17 | C16 | C15 | 6.2° | 90.2° |
| C24 | C17 | C18 | C16 | 178.9° | 179.8° |
| C24 | C17 | C18 | C19 | 0.3° | 0.2° |
| C24 | C17 | C16 | H35 | 126.9° | 149.8° |
| C24 | C17 | C16 | H36 | 114.5° | 29.8° |
| C24 | C17 | C18 | H37 | 179.7° | 179.8° |
| C17 | C24 | C23 | H42 | 179.7° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H38 | 180.0° | 179.4° |
| C19 | C20 | C21 | H5 | 169.1° | 150.0° |
| C19 | C20 | C21 | H6 | 71.9° | 30.0° |
| C20 | C19 | C18 | H37 | 179.8° | 180.0° |
| C19 | C20 | C23 | H42 | 179.8° | 179.7° |
| N14 | C15 | C16 | C25 | 122.2° | 120.1° |
| N14 | C15 | C16 | H4 | 117.6° | 120.0° |
| N14 | C15 | C25 | H4 | 119.6° | 120.0° |
| N14 | C15 | C16 | C17 | 73.7° | 65.0° |
| N14 | C15 | C25 | C26 | 44.5° | 65.0° |
| N14 | C15 | C25 | H33 | 75.6° | 175.0° |
| N14 | C15 | C25 | H34 | 164.6° | 55.0° |
| N14 | C15 | C16 | H35 | 47.0° | 55.0° |
| N14 | C15 | C16 | H36 | 165.5° | 175.0° |
| C16 | C15 | C25 | H4 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 174.9° | 90.0° |
| C15 | C16 | C17 | H35 | 120.7° | 119.9° |
| C15 | C16 | C17 | H36 | 120.7° | 120.0° |
| C16 | C15 | C25 | C26 | 75.7° | 175.0° |
| C16 | C15 | N14 | H32 | 35.1° | 25.1° |
| C16 | C15 | C25 | H33 | 164.2° | 55.0° |
| C16 | C15 | C25 | H34 | 44.3° | 65.0° |
| C15 | C16 | H35 | H36 | 117.7° | 120.0° |
| C25 | C15 | C16 | C17 | 164.0° | 175.0° |
| C15 | C25 | C26 | H33 | 120.1° | 120.0° |
| C15 | C25 | C26 | H34 | 120.1° | 120.0° |
| C15 | C25 | C26 | S27 | 154.4° | 180.0° |
| C15 | C25 | C26 | H8 | 84.6° | 59.9° |
| C15 | C25 | C26 | H9 | 33.4° | 60.0° |
| C25 | C15 | N14 | H32 | 89.1° | 95.0° |
| C15 | C25 | H33 | H34 | 119.7° | 120.0° |
| C25 | C15 | C16 | H35 | 75.3° | 65.0° |
| C25 | C15 | C16 | H36 | 43.3° | 55.0° |
| C17 | C18 | C19 | H37 | 180.0° | 180.0° |
| C18 | C17 | C24 | H7 | 179.4° | 180.0° |
| C18 | C17 | C16 | H35 | 54.2° | 30.0° |
| C18 | C17 | C16 | H36 | 64.3° | 150.0° |
| C17 | C18 | C19 | H38 | 179.8° | 179.4° |
| C16 | C17 | C18 | C19 | 179.2° | 180.0° |
| C17 | C16 | C15 | H4 | 43.8° | 55.0° |
| C16 | C17 | C24 | H7 | 0.6° | 0.2° |
| C17 | C16 | H35 | H36 | 117.7° | 120.0° |
| C16 | C17 | C18 | H37 | 0.8° | 0.0° |
| C28 | S27 | C26 | C25 | 56.4° | 180.0° |
| C28 | S27 | C26 | O29 | 118.7° | 114.5° |
| C28 | S27 | C26 | O30 | 124.7° | 114.5° |
| C28 | S27 | O29 | O30 | 118.7° | 125.0° |
| C28 | S27 | C26 | H8 | 177.4° | 60.0° |
| C28 | S27 | C26 | H9 | 64.6° | 60.0° |
| S27 | C28 | H10 | H11 | 120.0° | 119.9° |
| S27 | C28 | H10 | H12 | 120.0° | 120.0° |
| S27 | C28 | H11 | H12 | 120.0° | 120.0° |
| C25 | C26 | S27 | H8 | 121.0° | 120.1° |
| C25 | C26 | S27 | H9 | 121.0° | 120.0° |
| C25 | C26 | S27 | O29 | 175.1° | 65.5° |
| C25 | C26 | S27 | O30 | 68.3° | 65.5° |
| C26 | C25 | C15 | H4 | 164.1° | 55.0° |
| C25 | C26 | H8 | H9 | 116.8° | 119.9° |
| C26 | C25 | H33 | H34 | 119.7° | 120.0° |
| C26 | S27 | O29 | O30 | 117.7° | 124.9° |
| S27 | C26 | H8 | H9 | 116.8° | 120.0° |
| C26 | S27 | C28 | H10 | 180.0° | 60.0° |
| C26 | S27 | C28 | H11 | 60.0° | 180.0° |
| C26 | S27 | C28 | H12 | 60.0° | 60.0° |
| S27 | C26 | C25 | H33 | 34.3° | 60.0° |
| S27 | C26 | C25 | H34 | 85.5° | 60.0° |
| O29 | S27 | C26 | H8 | 63.9° | 174.5° |
| O29 | S27 | C26 | H9 | 54.1° | 54.5° |
| O29 | S27 | C28 | H10 | 61.5° | 54.5° |
| O29 | S27 | C28 | H11 | 58.5° | 65.5° |
| O29 | S27 | C28 | H12 | 178.5° | 174.5° |
| O30 | S27 | C26 | H8 | 52.7° | 54.5° |
| O30 | S27 | C26 | H9 | 170.7° | 174.5° |
| O30 | S27 | C28 | H10 | 55.6° | 174.5° |
| O30 | S27 | C28 | H11 | 175.6° | 65.5° |
| O30 | S27 | C28 | H12 | 64.4° | 54.5° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | N14 | H32 | 151.9° | 145.0° |
| H4 | C15 | C25 | H33 | 44.0° | 65.0° |
| H4 | C15 | C25 | H34 | 75.8° | 175.0° |
| H4 | C15 | C16 | H35 | 164.6° | 175.0° |
| H4 | C15 | C16 | H36 | 76.9° | 65.0° |
| H5 | C21 | N22 | H39 | 59.5° | 60.0° |
| H5 | C21 | N22 | H40 | 60.5° | 176.1° |
| H6 | C21 | N22 | H39 | 59.5° | 60.0° |
| H6 | C21 | N22 | H40 | 179.5° | 63.9° |
| H7 | C24 | C23 | H42 | 0.4° | 0.1° |
| H8 | C26 | C25 | H33 | 155.3° | 179.9° |
| H8 | C26 | C25 | H34 | 35.5° | 60.1° |
| H9 | C26 | C25 | H33 | 86.8° | 60.0° |
| H9 | C26 | C25 | H34 | 153.4° | NaN° |
| H10 | C28 | H11 | H12 | 120.1° | 120.1° |
| H14 | N8 | C9 | H15 | 177.4° | 145.0° |
| H15 | C9 | C40 | H16 | 168.4° | 175.0° |
| H15 | C9 | C40 | H17 | 72.8° | 65.1° |
| H16 | C40 | C41 | H18 | 59.1° | 65.0° |
| H17 | C40 | C41 | H18 | 177.8° | 175.0° |
| H18 | C41 | C43 | H19 | 60.1° | 180.0° |
| H18 | C41 | C43 | H20 | 59.8° | 60.0° |
| H18 | C41 | C43 | H21 | 179.9° | 60.0° |
| H18 | C41 | C42 | H22 | 60.2° | 180.0° |
| H18 | C41 | C42 | H23 | 179.8° | 60.0° |
| H18 | C41 | C42 | H24 | 59.8° | 59.9° |
| H19 | C43 | H20 | H21 | 120.0° | 120.0° |
| H22 | C42 | H23 | H24 | 120.0° | 120.0° |
| H25 | N11 | C12 | H26 | 166.9° | 145.0° |
| H26 | C12 | C32 | H27 | 57.6° | 55.0° |
| H26 | C12 | C32 | H28 | 176.9° | 65.0° |
| H29 | C34 | H30 | H31 | 120.0° | 120.0° |
| H37 | C18 | C19 | H38 | 0.2° | 0.6° |
