UJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| N20 | C21 | sing | 1.47Å | 1.50Å | |
| N20 | C17 | sing | 1.47Å | 1.50Å | |
| C26 | C21 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C27 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C32 | C27 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C16 | O18 | doub | 1.21Å | 1.23Å | |
| C16 | N6 | sing | 1.35Å | 1.39Å | |
| C13 | S12 | sing | 1.76Å | 1.72Å | Aromatic |
| C13 | C14 | doub | 1.33Å | 1.37Å | Aromatic |
| C5 | N6 | sing | 1.47Å | 1.47Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| S12 | C11 | sing | 1.76Å | 1.72Å | Aromatic |
| N6 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| O9 | C7 | doub | 1.21Å | 1.22Å | |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C2 | sing | 1.53Å | 1.51Å | |
| C7 | N8 | sing | 1.35Å | 1.38Å | |
| C11 | C15 | doub | 1.33Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C33 | sing | 1.37Å | 1.33Å | |
| N37 | C33 | doub | 1.30Å | 1.32Å | |
| N37 | C36 | sing | 1.48Å | 1.44Å | |
| C33 | O34 | sing | 1.35Å | 1.34Å | |
| N8 | C10 | sing | 1.46Å | 1.45Å | |
| C38 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | C35 | sing | 1.55Å | 1.52Å | |
| O34 | C35 | sing | 1.44Å | 1.44Å | |
| C35 | C39 | sing | 1.51Å | 1.49Å | |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| N8 | H6 | sing | 0.97Å | 1.00Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| N20 | H14 | sing | 1.01Å | 1.00Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.08Å | 1.08Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.08Å | 1.08Å | |
| C43 | H49 | sing | 1.08Å | 1.08Å | |
| C44 | H50 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 109.7° | 109.5° |
| C22 | C23 | C24 | 111.8° | 109.5° |
| C23 | C22 | H17 | 109.4° | 109.5° |
| C23 | C22 | H18 | 109.4° | 109.5° |
| C22 | C23 | H39 | 108.9° | 109.5° |
| C22 | C23 | H40 | 108.9° | 109.5° |
| C22 | C21 | N20 | 111.2° | 109.4° |
| C22 | C21 | C26 | 108.6° | 109.5° |
| C22 | C21 | H16 | 108.8° | 109.5° |
| C21 | C22 | H17 | 109.4° | 109.5° |
| C21 | C22 | H18 | 109.4° | 109.5° |
| C23 | C24 | C25 | 108.9° | 109.5° |
| C23 | C24 | H19 | 109.6° | 109.5° |
| C23 | C24 | H20 | 109.6° | 109.5° |
| C24 | C23 | H39 | 108.9° | 109.5° |
| C24 | C23 | H40 | 108.9° | 109.5° |
| C24 | C25 | C26 | 112.3° | 109.5° |
| C25 | C24 | H19 | 109.6° | 109.5° |
| C25 | C24 | H20 | 109.6° | 109.4° |
| C24 | C25 | H21 | 108.8° | 109.5° |
| C24 | C25 | H22 | 108.8° | 109.4° |
| C21 | N20 | C17 | 115.6° | 111.0° |
| N20 | C21 | C26 | 110.6° | 109.5° |
| C21 | N20 | H14 | 107.9° | 111.0° |
| N20 | C21 | H16 | 108.9° | 109.5° |
| N20 | C17 | C19 | 109.2° | 109.5° |
| N20 | C17 | C16 | 109.7° | 109.5° |
| N20 | C17 | H11 | 109.8° | 109.4° |
| C17 | N20 | H14 | 107.9° | 111.0° |
| C21 | C26 | C25 | 111.3° | 109.5° |
| C26 | C21 | H16 | 108.7° | 109.5° |
| C21 | C26 | H23 | 109.0° | 109.5° |
| C21 | C26 | H24 | 109.0° | 109.5° |
| C26 | C25 | H21 | 108.8° | 109.5° |
| C26 | C25 | H22 | 108.8° | 109.4° |
| C25 | C26 | H23 | 109.0° | 109.4° |
| C25 | C26 | H24 | 109.0° | 109.4° |
| C17 | C19 | C27 | 113.3° | 109.5° |
| C19 | C17 | C16 | 109.0° | 109.5° |
| C19 | C17 | H11 | 109.5° | 109.5° |
| C17 | C19 | H12 | 108.5° | 109.5° |
| C17 | C19 | H13 | 108.5° | 109.5° |
| C19 | C27 | C32 | 111.6° | 109.5° |
| C19 | C27 | C28 | 110.1° | 109.5° |
| C27 | C19 | H12 | 108.5° | 109.5° |
| C27 | C19 | H13 | 108.5° | 109.5° |
| C19 | C27 | H41 | 108.7° | 109.5° |
| C17 | C16 | O18 | 119.8° | 120.0° |
| C17 | C16 | N6 | 116.2° | 120.0° |
| C16 | C17 | H11 | 109.7° | 109.5° |
| C27 | C32 | C31 | 111.2° | 109.5° |
| C32 | C27 | C28 | 109.0° | 109.5° |
| C32 | C27 | H41 | 108.7° | 109.4° |
| C27 | C32 | H46 | 109.0° | 109.5° |
| C27 | C32 | H47 | 109.1° | 109.4° |
| C32 | C31 | C30 | 110.8° | 109.5° |
| C32 | C31 | H27 | 109.1° | 109.4° |
| C32 | C31 | H28 | 109.1° | 109.4° |
| C31 | C32 | H46 | 109.0° | 109.5° |
| C31 | C32 | H47 | 109.0° | 109.5° |
| C27 | C28 | C29 | 114.1° | 109.5° |
| C27 | C28 | H25 | 108.3° | 109.5° |
| C27 | C28 | H26 | 108.3° | 109.5° |
| C28 | C27 | H41 | 108.7° | 109.5° |
| C28 | C29 | C30 | 115.4° | 109.4° |
| C29 | C28 | H25 | 108.3° | 109.5° |
| C29 | C28 | H26 | 108.3° | 109.5° |
| C28 | C29 | H42 | 108.0° | 109.5° |
| C28 | C29 | H43 | 108.0° | 109.5° |
| C31 | C30 | C29 | 112.7° | 109.5° |
| C30 | C31 | H27 | 109.1° | 109.5° |
| C30 | C31 | H28 | 109.1° | 109.5° |
| C31 | C30 | H44 | 108.6° | 109.5° |
| C31 | C30 | H45 | 108.7° | 109.4° |
| C30 | C29 | H42 | 108.0° | 109.5° |
| C30 | C29 | H43 | 108.0° | 109.5° |
| C29 | C30 | H44 | 108.6° | 109.5° |
| C29 | C30 | H45 | 108.6° | 109.4° |
| O18 | C16 | N6 | 124.0° | 120.0° |
| C16 | N6 | C5 | 123.5° | 120.6° |
| C16 | N6 | C4 | 116.7° | 120.4° |
| S12 | C13 | C14 | 111.4° | 109.6° |
| C13 | S12 | C11 | 92.7° | 91.0° |
| S12 | C13 | H38 | 124.3° | 125.2° |
| C13 | C14 | C15 | 112.1° | 114.9° |
| C13 | C14 | H9 | 124.0° | 122.6° |
| C14 | C13 | H38 | 124.3° | 125.2° |
| N6 | C5 | C3 | 113.8° | 108.9° |
| C5 | N6 | C4 | 119.8° | 119.0° |
| N6 | C5 | H36 | 108.4° | 109.6° |
| N6 | C5 | H37 | 108.4° | 109.6° |
| C5 | C3 | N1 | 110.9° | 108.6° |
| C5 | C3 | H3 | 109.1° | 109.6° |
| C5 | C3 | H4 | 109.1° | 109.8° |
| C3 | C5 | H36 | 108.4° | 110.0° |
| C3 | C5 | H37 | 108.4° | 109.0° |
| S12 | C11 | C15 | 110.2° | 109.6° |
| S12 | C11 | C10 | 122.0° | 125.2° |
| N6 | C4 | C7 | 106.6° | 109.6° |
| N6 | C4 | C2 | 112.0° | 108.7° |
| N6 | C4 | H5 | 110.1° | 109.7° |
| C3 | N1 | C2 | 120.5° | 118.8° |
| C3 | N1 | C33 | 121.1° | 120.6° |
| N1 | C3 | H3 | 109.1° | 109.6° |
| N1 | C3 | H4 | 109.1° | 109.6° |
| C14 | C15 | C11 | 113.6° | 114.9° |
| C15 | C14 | H9 | 124.0° | 122.6° |
| C14 | C15 | H10 | 123.2° | 122.5° |
| O9 | C7 | C4 | 122.8° | 119.9° |
| O9 | C7 | N8 | 124.3° | 120.0° |
| C7 | C4 | C2 | 109.3° | 109.7° |
| C4 | C7 | N8 | 112.9° | 120.0° |
| C7 | C4 | H5 | 109.4° | 109.6° |
| C4 | C2 | N1 | 110.6° | 108.7° |
| C4 | C2 | H1 | 109.2° | 109.6° |
| C4 | C2 | H2 | 109.2° | 109.8° |
| C2 | C4 | H5 | 109.4° | 109.6° |
| C7 | N8 | C10 | 119.5° | 120.0° |
| C7 | N8 | H6 | 120.3° | 119.9° |
| C15 | C11 | C10 | 127.8° | 125.2° |
| C11 | C15 | H10 | 123.2° | 122.5° |
| C11 | C10 | N8 | 111.1° | 109.4° |
| C11 | C10 | H7 | 109.1° | 109.5° |
| C11 | C10 | H8 | 109.1° | 109.4° |
| C2 | N1 | C33 | 118.1° | 120.6° |
| N1 | C2 | H1 | 109.2° | 109.6° |
| N1 | C2 | H2 | 109.2° | 109.6° |
| N1 | C33 | N37 | 127.5° | 123.1° |
| N1 | C33 | O34 | 119.1° | 123.1° |
| C33 | N37 | C36 | 111.4° | 108.5° |
| N37 | C33 | O34 | 113.4° | 113.8° |
| N37 | C36 | C38 | 109.8° | 110.9° |
| N37 | C36 | C35 | 100.9° | 102.0° |
| N37 | C36 | H30 | 110.0° | 111.0° |
| C33 | O34 | C35 | 106.7° | 107.7° |
| C10 | N8 | H6 | 120.2° | 120.1° |
| N8 | C10 | H7 | 109.1° | 109.5° |
| N8 | C10 | H8 | 109.1° | 109.5° |
| C38 | C36 | C35 | 117.7° | 110.9° |
| C38 | C36 | H30 | 109.1° | 110.8° |
| C36 | C38 | H31 | 109.5° | 109.5° |
| C36 | C38 | H32 | 109.4° | 109.4° |
| C36 | C38 | H33 | 109.5° | 109.5° |
| C36 | C35 | O34 | 107.2° | 101.4° |
| C36 | C35 | C39 | 116.2° | 111.0° |
| C36 | C35 | H29 | 107.6° | 111.0° |
| C35 | C36 | H30 | 109.0° | 110.9° |
| O34 | C35 | C39 | 109.2° | 111.0° |
| O34 | C35 | H29 | 108.6° | 111.1° |
| C35 | C39 | C40 | 119.4° | 120.0° |
| C35 | C39 | C44 | 120.4° | 120.0° |
| C39 | C35 | H29 | 107.9° | 110.9° |
| C39 | C40 | C41 | 119.9° | 120.0° |
| C40 | C39 | C44 | 120.2° | 120.0° |
| C39 | C40 | H34 | 120.0° | 120.0° |
| C40 | C41 | C42 | 119.8° | 120.0° |
| C41 | C40 | H34 | 120.1° | 120.0° |
| C40 | C41 | H48 | 120.1° | 120.0° |
| C39 | C44 | C43 | 119.8° | 120.0° |
| C39 | C44 | H50 | 120.1° | 120.0° |
| C41 | C42 | C43 | 120.8° | 120.0° |
| C41 | C42 | H35 | 119.6° | 120.0° |
| C42 | C41 | H48 | 120.1° | 120.0° |
| C44 | C43 | C42 | 119.5° | 120.0° |
| C44 | C43 | H49 | 120.2° | 120.0° |
| C43 | C44 | H50 | 120.1° | 120.0° |
| C43 | C42 | H35 | 119.6° | 120.0° |
| C42 | C43 | H49 | 120.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.6° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H33 | 109.4° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.5° |
| H36 | C5 | H37 | 109.4° | 109.7° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| H42 | C29 | H43 | 109.5° | 109.5° |
| H44 | C30 | H45 | 109.5° | 109.4° |
| H46 | C32 | H47 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H17 | 120.1° | 120.0° |
| C23 | C22 | C21 | H18 | 120.0° | 120.0° |
| C22 | C23 | C24 | H39 | 120.4° | 120.0° |
| C22 | C23 | C24 | H40 | 120.3° | 120.0° |
| C22 | C23 | C24 | C25 | 56.6° | 60.0° |
| C23 | C22 | C21 | N20 | 178.3° | 180.0° |
| C23 | C22 | C21 | C26 | 59.8° | 60.0° |
| C23 | C22 | C21 | H16 | 58.3° | 60.0° |
| C23 | C22 | H17 | H18 | 119.9° | 120.0° |
| C22 | C23 | C24 | H19 | 63.4° | 180.0° |
| C22 | C23 | C24 | H20 | 176.5° | 59.9° |
| C22 | C23 | H39 | H40 | 119.0° | 120.0° |
| C21 | C22 | C23 | C24 | 60.9° | 60.0° |
| C22 | C21 | N20 | C26 | 120.8° | 120.0° |
| C22 | C21 | N20 | H16 | 119.8° | 120.0° |
| C22 | C21 | N20 | C17 | 168.7° | 148.7° |
| C22 | C21 | C26 | H16 | 118.1° | 120.0° |
| C22 | C21 | C26 | C25 | 57.9° | 60.0° |
| C22 | C21 | N20 | H14 | 47.8° | 24.7° |
| C21 | C22 | H17 | H18 | 119.9° | 120.0° |
| C22 | C21 | C26 | H23 | 178.2° | 180.0° |
| C22 | C21 | C26 | H24 | 62.4° | 60.0° |
| C21 | C22 | C23 | H39 | 178.8° | 180.0° |
| C21 | C22 | C23 | H40 | 59.5° | 60.0° |
| C23 | C24 | C25 | H19 | 119.9° | 120.1° |
| C23 | C24 | C25 | H20 | 119.9° | 119.9° |
| C23 | C24 | C25 | C26 | 53.9° | 59.9° |
| C24 | C23 | C22 | H17 | 179.1° | 60.0° |
| C24 | C23 | C22 | H18 | 59.2° | 180.0° |
| C23 | C24 | H19 | H20 | 120.3° | 120.0° |
| C23 | C24 | C25 | H21 | 174.4° | 180.0° |
| C23 | C24 | C25 | H22 | 66.5° | 60.0° |
| C24 | C23 | H39 | H40 | 118.9° | 120.0° |
| C24 | C25 | C26 | C21 | 56.1° | 59.9° |
| C24 | C25 | C26 | H21 | 120.4° | 120.1° |
| C24 | C25 | C26 | H22 | 120.4° | 119.9° |
| C25 | C24 | H19 | H20 | 120.3° | 119.9° |
| C24 | C25 | H21 | H22 | 118.7° | 120.0° |
| C24 | C25 | C26 | H23 | 176.4° | 180.0° |
| C24 | C25 | C26 | H24 | 64.1° | 60.1° |
| C25 | C24 | C23 | H39 | 176.9° | 180.0° |
| C25 | C24 | C23 | H40 | 63.8° | 60.1° |
| C21 | N20 | C17 | H14 | 120.9° | 124.0° |
| N20 | C21 | C26 | H16 | 119.5° | 120.0° |
| N20 | C21 | C26 | C25 | 179.8° | 180.0° |
| C21 | N20 | C17 | C19 | 164.5° | 90.6° |
| C21 | N20 | C17 | C16 | 45.2° | 149.4° |
| C21 | N20 | C17 | H11 | 75.5° | 29.4° |
| N20 | C21 | C22 | H17 | 58.2° | 60.0° |
| N20 | C21 | C22 | H18 | 61.7° | 60.0° |
| N20 | C21 | C26 | H23 | 59.5° | 60.0° |
| N20 | C21 | C26 | H24 | 59.9° | 60.0° |
| C17 | N20 | C21 | C26 | 70.6° | 91.3° |
| N20 | C17 | C19 | C16 | 119.8° | 120.0° |
| N20 | C17 | C19 | H11 | 120.3° | 120.0° |
| N20 | C17 | C19 | C27 | 176.2° | 52.1° |
| N20 | C17 | C16 | H11 | 120.7° | 119.9° |
| N20 | C17 | C16 | O18 | 54.2° | 4.0° |
| N20 | C17 | C16 | N6 | 123.4° | 176.0° |
| N20 | C17 | C19 | H12 | 63.2° | 67.8° |
| N20 | C17 | C19 | H13 | 55.6° | 172.1° |
| C17 | N20 | C21 | H16 | 48.8° | 28.8° |
| C21 | C26 | C25 | H23 | 120.3° | 120.1° |
| C21 | C26 | C25 | H24 | 120.3° | 120.0° |
| C26 | C21 | N20 | H14 | 168.6° | 144.7° |
| C26 | C21 | C22 | H17 | 179.8° | 60.0° |
| C26 | C21 | C22 | H18 | 60.2° | 180.0° |
| C21 | C26 | C25 | H21 | 176.6° | 180.0° |
| C21 | C26 | C25 | H22 | 64.3° | 60.0° |
| C21 | C26 | H23 | H24 | 119.1° | 120.1° |
| C25 | C26 | C21 | H16 | 60.3° | 60.0° |
| C26 | C25 | C24 | H19 | 66.0° | 179.9° |
| C26 | C25 | C24 | H20 | 173.8° | 60.0° |
| C26 | C25 | H21 | H22 | 118.7° | 120.0° |
| C25 | C26 | H23 | H24 | 119.2° | 119.9° |
| C17 | C19 | C27 | H12 | 120.6° | 120.0° |
| C17 | C19 | C27 | H13 | 120.6° | 120.0° |
| C19 | C17 | C16 | H11 | 119.9° | 120.0° |
| C17 | C19 | C27 | C32 | 74.2° | 72.4° |
| C17 | C19 | C27 | C28 | 164.7° | 167.6° |
| C19 | C17 | C16 | O18 | 65.2° | 116.0° |
| C19 | C17 | C16 | N6 | 117.2° | 64.0° |
| C17 | C19 | H12 | H13 | 118.2° | 120.0° |
| C19 | C17 | N20 | H14 | 43.6° | 145.4° |
| C17 | C19 | C27 | H41 | 45.7° | 47.6° |
| C27 | C19 | C17 | C16 | 64.1° | 67.9° |
| C19 | C27 | C32 | C28 | 121.8° | 120.0° |
| C19 | C27 | C32 | H41 | 119.9° | 120.0° |
| C19 | C27 | C32 | C31 | 178.2° | 180.0° |
| C19 | C27 | C28 | H41 | 119.0° | 120.0° |
| C19 | C27 | C28 | C29 | 174.0° | 180.0° |
| C27 | C19 | C17 | H11 | 55.9° | 172.1° |
| C27 | C19 | H12 | H13 | 118.2° | 120.0° |
| C19 | C27 | C28 | H25 | 65.4° | 60.0° |
| C19 | C27 | C28 | H26 | 53.3° | 60.0° |
| C19 | C27 | C32 | H46 | 61.5° | 60.0° |
| C19 | C27 | C32 | H47 | 58.0° | 60.0° |
| C17 | C16 | O18 | N6 | 177.4° | 179.9° |
| C17 | C16 | N6 | C5 | 4.9° | 4.8° |
| C17 | C16 | N6 | C4 | 172.4° | 175.9° |
| C16 | C17 | C19 | H12 | 56.5° | 172.2° |
| C16 | C17 | C19 | H13 | 175.4° | 52.1° |
| C16 | C17 | N20 | H14 | 75.8° | 25.4° |
| C27 | C32 | C31 | H46 | 120.2° | 120.1° |
| C27 | C32 | C31 | H47 | 120.3° | 120.0° |
| C32 | C27 | C28 | H41 | 118.3° | 120.0° |
| C32 | C27 | C28 | C29 | 51.3° | 60.0° |
| C27 | C32 | C31 | C30 | 60.8° | 60.0° |
| C32 | C27 | C19 | H12 | 165.3° | 167.6° |
| C32 | C27 | C19 | H13 | 46.4° | 47.6° |
| C32 | C27 | C28 | H25 | 172.0° | 180.0° |
| C32 | C27 | C28 | H26 | 69.4° | 60.0° |
| C27 | C32 | C31 | H27 | 179.0° | 60.0° |
| C27 | C32 | C31 | H28 | 59.4° | 180.0° |
| C27 | C32 | H46 | H47 | 119.2° | 120.0° |
| C31 | C32 | C27 | C28 | 60.0° | 60.0° |
| C32 | C31 | C30 | H27 | 120.2° | 120.0° |
| C32 | C31 | C30 | H28 | 120.2° | 119.9° |
| C32 | C31 | C30 | C29 | 51.0° | 60.0° |
| C32 | C31 | H27 | H28 | 119.4° | 119.9° |
| C31 | C32 | C27 | H41 | 58.3° | 60.0° |
| C32 | C31 | C30 | H44 | 69.5° | 60.0° |
| C32 | C31 | C30 | H45 | 171.5° | 180.0° |
| C31 | C32 | H46 | H47 | 119.2° | 120.0° |
| C27 | C28 | C29 | H25 | 120.7° | 120.0° |
| C27 | C28 | C29 | H26 | 120.7° | 120.0° |
| C27 | C28 | C29 | C30 | 44.2° | 59.9° |
| C28 | C27 | C19 | H12 | 44.1° | 47.6° |
| C28 | C27 | C19 | H13 | 74.7° | 72.4° |
| C27 | C28 | H25 | H26 | 117.9° | 120.0° |
| C27 | C28 | C29 | H42 | 76.7° | 60.0° |
| C27 | C28 | C29 | H43 | 165.1° | 180.0° |
| C28 | C27 | C32 | H46 | 60.3° | 180.0° |
| C28 | C27 | C32 | H47 | 179.8° | 60.0° |
| C28 | C29 | C30 | C31 | 43.3° | 60.0° |
| C28 | C29 | C30 | H42 | 120.9° | 120.0° |
| C28 | C29 | C30 | H43 | 120.9° | 120.0° |
| C29 | C28 | H25 | H26 | 117.9° | 120.0° |
| C29 | C28 | C27 | H41 | 67.0° | 60.0° |
| C28 | C29 | H42 | H43 | 117.3° | 120.0° |
| C28 | C29 | C30 | H44 | 77.2° | 60.1° |
| C28 | C29 | C30 | H45 | 163.8° | 180.0° |
| C31 | C30 | C29 | H44 | 120.5° | 120.1° |
| C31 | C30 | C29 | H45 | 120.5° | 120.0° |
| C30 | C31 | H27 | H28 | 119.4° | 120.1° |
| C31 | C30 | C29 | H42 | 77.6° | 60.0° |
| C31 | C30 | C29 | H43 | 164.2° | 180.0° |
| C31 | C30 | H44 | H45 | 118.5° | 120.0° |
| C30 | C31 | C32 | H46 | 59.4° | 180.0° |
| C30 | C31 | C32 | H47 | 178.9° | 60.0° |
| C30 | C29 | C28 | H25 | 164.8° | 180.0° |
| C30 | C29 | C28 | H26 | 76.5° | 60.0° |
| C29 | C30 | C31 | H27 | 171.2° | 60.0° |
| C29 | C30 | C31 | H28 | 69.2° | 180.0° |
| C30 | C29 | H42 | H43 | 117.3° | 120.0° |
| C29 | C30 | H44 | H45 | 118.5° | 119.9° |
| O18 | C16 | N6 | C5 | 172.5° | 175.3° |
| O18 | C16 | N6 | C4 | 10.2° | 4.1° |
| O18 | C16 | C17 | H11 | 174.9° | 124.0° |
| C16 | N6 | C5 | C4 | 177.2° | 179.3° |
| C16 | N6 | C5 | C3 | 141.6° | 124.8° |
| C16 | N6 | C4 | C7 | 66.5° | 4.8° |
| C16 | N6 | C4 | C2 | 174.0° | 124.6° |
| C16 | N6 | C4 | H5 | 52.0° | 115.6° |
| N6 | C16 | C17 | H11 | 2.7° | 56.1° |
| C16 | N6 | C5 | H36 | 97.7° | 4.4° |
| C16 | N6 | C5 | H37 | 20.9° | 116.1° |
| S12 | C13 | C14 | H38 | 180.0° | 179.7° |
| S12 | C13 | C14 | C15 | 1.5° | 0.4° |
| C13 | S12 | C11 | C15 | 0.6° | 0.0° |
| C13 | S12 | C11 | C10 | 179.0° | 179.7° |
| S12 | C13 | C14 | H9 | 178.5° | 179.9° |
| C14 | C13 | S12 | C11 | 1.2° | 0.2° |
| C13 | C14 | C15 | H9 | 180.0° | 179.5° |
| C13 | C14 | C15 | C11 | 1.0° | 0.4° |
| C13 | C14 | C15 | H10 | 179.0° | 179.5° |
| N6 | C5 | C3 | H36 | 120.7° | 120.1° |
| N6 | C5 | C3 | H37 | 120.7° | 119.6° |
| N6 | C5 | C3 | N1 | 39.3° | 49.0° |
| C5 | N6 | C4 | C7 | 116.0° | 174.6° |
| C5 | N6 | C4 | C2 | 3.4° | 54.7° |
| N6 | C5 | C3 | H3 | 159.5° | 70.7° |
| N6 | C5 | C3 | H4 | 80.9° | 168.9° |
| C5 | N6 | C4 | H5 | 125.4° | 65.1° |
| N6 | C5 | H36 | H37 | 118.0° | 120.4° |
| C3 | C5 | N6 | C4 | 41.2° | 54.6° |
| C5 | C3 | N1 | H3 | 120.2° | 119.7° |
| C5 | C3 | N1 | H4 | 120.2° | 120.0° |
| C5 | C3 | N1 | C2 | 4.9° | 55.2° |
| C5 | C3 | N1 | C33 | 167.7° | 125.0° |
| C5 | C3 | H3 | H4 | 119.3° | 120.5° |
| C3 | C5 | H36 | H37 | 118.0° | 119.9° |
| S12 | C11 | C15 | C14 | 0.1° | 0.2° |
| S12 | C11 | C15 | C10 | 179.6° | 179.7° |
| S12 | C11 | C10 | N8 | 78.3° | 89.7° |
| S12 | C11 | C10 | H7 | 42.0° | 150.4° |
| S12 | C11 | C10 | H8 | 161.5° | 30.3° |
| S12 | C11 | C15 | H10 | 179.9° | 179.7° |
| C11 | S12 | C13 | H38 | 178.8° | 180.0° |
| N6 | C4 | C7 | O9 | 41.5° | 68.6° |
| N6 | C4 | C7 | C2 | 121.2° | 119.2° |
| N6 | C4 | C7 | H5 | 119.0° | 120.4° |
| N6 | C4 | C2 | H5 | 122.4° | 119.9° |
| N6 | C4 | C7 | N8 | 136.6° | 111.5° |
| N6 | C4 | C2 | N1 | 46.3° | 49.4° |
| N6 | C4 | C2 | H1 | 166.4° | 169.2° |
| N6 | C4 | C2 | H2 | 73.9° | 70.4° |
| C4 | N6 | C5 | H36 | 79.5° | 174.9° |
| C4 | N6 | C5 | H37 | 161.8° | 64.6° |
| C3 | N1 | C2 | C4 | 48.7° | 55.4° |
| C3 | N1 | C2 | C33 | 172.8° | 179.8° |
| C3 | N1 | C33 | N37 | 9.9° | 179.7° |
| C3 | N1 | C33 | O34 | 167.9° | 0.2° |
| C3 | N1 | C2 | H1 | 168.9° | 175.2° |
| C3 | N1 | C2 | H2 | 71.5° | 64.5° |
| N1 | C3 | H3 | H4 | 119.3° | 120.4° |
| N1 | C3 | C5 | H36 | 81.3° | 169.1° |
| N1 | C3 | C5 | H37 | 160.0° | 70.6° |
| C14 | C15 | C11 | H10 | 180.0° | 179.9° |
| C14 | C15 | C11 | C10 | 179.7° | 180.0° |
| C15 | C14 | C13 | H38 | 178.5° | 179.8° |
| O9 | C7 | C4 | N8 | 178.1° | 179.9° |
| O9 | C7 | C4 | C2 | 79.7° | 50.6° |
| O9 | C7 | N8 | C10 | 0.8° | 0.1° |
| O9 | C7 | C4 | H5 | 160.5° | 170.9° |
| O9 | C7 | N8 | H6 | 179.2° | 179.9° |
| C7 | C4 | C2 | H5 | 119.8° | 120.4° |
| C7 | C4 | C2 | N1 | 71.6° | 169.2° |
| C4 | C7 | N8 | C10 | 178.9° | 180.0° |
| C7 | C4 | C2 | H1 | 48.6° | 71.0° |
| C7 | C4 | C2 | H2 | 168.2° | 49.3° |
| C4 | C7 | N8 | H6 | 1.1° | 0.0° |
| C2 | C4 | C7 | N8 | 102.2° | 129.3° |
| C4 | C2 | N1 | H1 | 120.2° | 119.8° |
| C4 | C2 | N1 | H2 | 120.2° | 119.9° |
| C4 | C2 | N1 | C33 | 124.1° | 124.8° |
| C4 | C2 | H1 | H2 | 119.5° | 120.5° |
| C7 | N8 | C10 | C11 | 87.1° | 180.0° |
| C7 | N8 | C10 | H6 | 180.0° | 180.0° |
| N8 | C7 | C4 | H5 | 17.6° | 9.0° |
| C7 | N8 | C10 | H7 | 33.2° | 60.0° |
| C7 | N8 | C10 | H8 | 152.6° | 60.0° |
| C15 | C11 | C10 | N8 | 102.1° | 90.0° |
| C15 | C11 | C10 | H7 | 137.6° | 30.0° |
| C15 | C11 | C10 | H8 | 18.1° | 150.0° |
| C11 | C15 | C14 | H9 | 179.0° | 180.0° |
| C11 | C10 | N8 | H7 | 120.3° | 120.0° |
| C11 | C10 | N8 | H8 | 120.3° | 120.0° |
| C11 | C10 | N8 | H6 | 92.9° | 0.0° |
| C11 | C10 | H7 | H8 | 119.2° | 120.0° |
| C10 | C11 | C15 | H10 | 0.3° | 0.0° |
| C2 | N1 | C33 | N37 | 162.9° | 0.1° |
| C2 | N1 | C33 | O34 | 19.3° | 180.0° |
| N1 | C2 | H1 | H2 | 119.5° | 120.3° |
| C2 | N1 | C3 | H3 | 115.3° | 64.5° |
| C2 | N1 | C3 | H4 | 125.1° | 175.1° |
| N1 | C2 | C4 | H5 | 168.6° | 70.5° |
| N1 | C33 | N37 | O34 | 177.9° | 179.9° |
| N1 | C33 | N37 | C36 | 179.1° | 179.6° |
| N1 | C33 | O34 | C35 | 176.0° | 162.8° |
| C33 | N1 | C2 | H1 | 3.9° | 5.0° |
| C33 | N1 | C2 | H2 | 115.7° | 115.3° |
| C33 | N1 | C3 | H3 | 72.1° | 115.3° |
| C33 | N1 | C3 | H4 | 47.5° | 5.0° |
| C33 | N37 | C36 | C38 | 131.2° | 103.2° |
| C33 | N37 | C36 | C35 | 6.3° | 15.0° |
| N37 | C33 | O34 | C35 | 2.1° | 17.4° |
| C33 | N37 | C36 | H30 | 108.7° | 133.2° |
| C36 | N37 | C33 | O34 | 3.0° | 0.5° |
| N37 | C36 | C38 | C35 | 114.5° | 112.6° |
| N37 | C36 | C38 | H30 | 120.6° | 123.8° |
| N37 | C36 | C35 | H30 | 115.8° | 118.2° |
| N37 | C36 | C35 | O34 | 7.3° | 23.5° |
| N37 | C36 | C35 | C39 | 115.1° | 141.5° |
| N37 | C36 | C35 | H29 | 123.9° | 94.6° |
| N37 | C36 | C38 | H31 | 180.0° | 52.6° |
| N37 | C36 | C38 | H32 | 60.0° | 67.4° |
| N37 | C36 | C38 | H33 | 60.0° | 172.6° |
| C33 | O34 | C35 | C36 | 6.0° | 24.9° |
| C33 | O34 | C35 | C39 | 120.6° | 142.9° |
| C33 | O34 | C35 | H29 | 122.0° | 93.1° |
| N8 | C10 | H7 | H8 | 119.3° | 120.1° |
| C38 | C36 | C35 | H30 | 124.8° | 123.6° |
| C38 | C36 | C35 | O34 | 126.7° | 94.7° |
| C38 | C36 | C35 | C39 | 4.3° | 23.3° |
| C38 | C36 | C35 | H29 | 116.7° | 147.2° |
| C36 | C38 | H31 | H32 | 120.0° | 120.0° |
| C36 | C38 | H31 | H33 | 120.0° | 120.0° |
| C36 | C38 | H32 | H33 | 120.0° | 120.0° |
| C36 | C35 | O34 | C39 | 126.6° | 118.0° |
| C36 | C35 | O34 | H29 | 116.0° | 118.0° |
| C36 | C35 | C39 | H29 | 120.9° | 123.9° |
| C36 | C35 | C39 | C40 | 82.8° | 76.5° |
| C36 | C35 | C39 | C44 | 99.0° | 103.3° |
| C35 | C36 | C38 | H31 | 65.5° | 60.0° |
| C35 | C36 | C38 | H32 | 54.5° | 180.0° |
| C35 | C36 | C38 | H33 | 174.6° | 60.0° |
| O34 | C35 | C39 | H29 | 117.8° | 124.1° |
| O34 | C35 | C39 | C40 | 38.5° | 35.5° |
| O34 | C35 | C39 | C44 | 139.7° | 144.7° |
| O34 | C35 | C36 | H30 | 108.5° | 141.7° |
| C35 | C39 | C40 | C44 | 178.2° | 179.8° |
| C35 | C39 | C40 | C41 | 179.9° | 180.0° |
| C35 | C39 | C44 | C43 | 179.3° | 180.0° |
| C39 | C35 | C36 | H30 | 129.2° | 100.3° |
| C35 | C39 | C40 | H34 | 0.1° | 0.0° |
| C35 | C39 | C44 | H50 | 0.7° | 0.1° |
| C39 | C40 | C41 | H34 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 0.9° | 0.0° |
| C40 | C39 | C44 | C43 | 1.1° | 0.3° |
| C40 | C39 | C35 | H29 | 156.3° | 159.6° |
| C39 | C40 | C41 | H48 | 179.0° | 180.0° |
| C40 | C39 | C44 | H50 | 178.9° | 179.7° |
| C41 | C40 | C39 | C44 | 1.7° | 0.3° |
| C40 | C41 | C42 | H48 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.4° | 0.2° |
| C40 | C41 | C42 | H35 | 179.6° | 180.0° |
| C39 | C44 | C43 | H50 | 180.0° | 180.0° |
| C39 | C44 | C43 | C42 | 0.2° | 0.0° |
| C44 | C39 | C35 | H29 | 21.9° | 20.6° |
| C44 | C39 | C40 | H34 | 178.3° | 179.7° |
| C39 | C44 | C43 | H49 | 179.8° | 180.0° |
| C41 | C42 | C43 | C44 | 1.0° | 0.2° |
| C41 | C42 | C43 | H35 | 180.0° | 179.8° |
| C42 | C41 | C40 | H34 | 179.0° | 180.0° |
| C41 | C42 | C43 | H49 | 179.0° | 179.8° |
| C44 | C43 | C42 | H49 | 180.0° | 180.0° |
| C44 | C43 | C42 | H35 | 179.0° | 180.0° |
| C43 | C42 | C41 | H48 | 179.6° | 179.8° |
| C42 | C43 | C44 | H50 | 179.8° | 179.9° |
| H1 | C2 | C4 | H5 | 71.2° | 49.3° |
| H2 | C2 | C4 | H5 | 48.5° | 169.7° |
| H3 | C3 | C5 | H36 | 38.9° | 49.4° |
| H3 | C3 | C5 | H37 | 79.8° | 169.7° |
| H4 | C3 | C5 | H36 | 158.4° | 71.0° |
| H4 | C3 | C5 | H37 | 39.8° | 49.3° |
| H6 | N8 | C10 | H7 | 146.9° | 120.0° |
| H6 | N8 | C10 | H8 | 27.4° | 120.0° |
| H9 | C14 | C15 | H10 | 1.0° | 0.0° |
| H9 | C14 | C13 | H38 | 1.5° | 0.3° |
| H11 | C17 | C19 | H12 | 176.5° | 52.1° |
| H11 | C17 | C19 | H13 | 64.6° | 67.9° |
| H11 | C17 | N20 | H14 | 163.6° | 94.5° |
| H12 | C19 | C27 | H41 | 74.9° | 72.4° |
| H13 | C19 | C27 | H41 | 166.3° | 167.6° |
| H14 | N20 | C21 | H16 | 72.1° | 95.2° |
| H16 | C21 | C22 | H17 | 61.7° | 180.0° |
| H16 | C21 | C22 | H18 | 178.3° | 60.0° |
| H16 | C21 | C26 | H23 | 60.0° | 60.0° |
| H16 | C21 | C26 | H24 | 179.4° | 180.0° |
| H17 | C22 | C23 | H39 | 58.7° | 60.0° |
| H17 | C22 | C23 | H40 | 60.6° | 179.9° |
| H18 | C22 | C23 | H39 | 61.2° | 60.0° |
| H18 | C22 | C23 | H40 | 179.5° | 60.0° |
| H19 | C24 | C25 | H21 | 54.4° | 60.0° |
| H19 | C24 | C25 | H22 | 173.6° | 60.1° |
| H19 | C24 | C23 | H39 | 57.0° | 59.9° |
| H19 | C24 | C23 | H40 | 176.3° | 60.0° |
| H20 | C24 | C25 | H21 | 65.8° | 60.0° |
| H20 | C24 | C25 | H22 | 53.4° | 179.9° |
| H20 | C24 | C23 | H39 | 63.2° | 60.1° |
| H20 | C24 | C23 | H40 | 56.1° | 180.0° |
| H21 | C25 | C26 | H23 | 63.2° | 59.9° |
| H21 | C25 | C26 | H24 | 56.3° | 60.0° |
| H22 | C25 | C26 | H23 | 56.0° | 60.1° |
| H22 | C25 | C26 | H24 | 175.4° | 180.0° |
| H25 | C28 | C27 | H41 | 53.6° | 60.0° |
| H25 | C28 | C29 | H42 | 44.0° | 60.0° |
| H25 | C28 | C29 | H43 | 74.3° | 60.0° |
| H26 | C28 | C27 | H41 | 172.3° | 180.0° |
| H26 | C28 | C29 | H42 | 162.7° | 180.0° |
| H26 | C28 | C29 | H43 | 44.4° | 60.0° |
| H27 | C31 | C30 | H44 | 50.7° | 180.0° |
| H27 | C31 | C30 | H45 | 68.3° | 60.0° |
| H27 | C31 | C32 | H46 | 60.7° | 60.0° |
| H27 | C31 | C32 | H47 | 58.8° | 180.0° |
| H28 | C31 | C30 | H44 | 170.3° | 59.9° |
| H28 | C31 | C30 | H45 | 51.3° | 60.1° |
| H28 | C31 | C32 | H46 | 179.7° | 60.0° |
| H28 | C31 | C32 | H47 | 60.8° | 60.0° |
| H29 | C35 | C36 | H30 | 8.1° | 23.6° |
| H30 | C36 | C38 | H31 | 59.3° | 176.3° |
| H30 | C36 | C38 | H32 | 179.3° | 56.3° |
| H30 | C36 | C38 | H33 | 60.6° | 63.7° |
| H31 | C38 | H32 | H33 | 120.0° | 120.0° |
| H34 | C40 | C41 | H48 | 1.0° | 0.1° |
| H35 | C42 | C41 | H48 | 0.4° | 0.0° |
| H35 | C42 | C43 | H49 | 1.0° | 0.0° |
| H41 | C27 | C32 | H46 | 178.6° | 60.1° |
| H41 | C27 | C32 | H47 | 61.9° | 180.0° |
| H42 | C29 | C30 | H44 | 161.9° | 180.0° |
| H42 | C29 | C30 | H45 | 42.9° | 60.0° |
| H43 | C29 | C30 | H44 | 43.7° | 60.0° |
| H43 | C29 | C30 | H45 | 75.3° | 60.0° |
| H49 | C43 | C44 | H50 | 0.2° | 0.1° |
