L5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S49 | C48 | sing | 1.76Å | 1.70Å | Aromatic |
| S49 | C50 | sing | 1.76Å | 1.72Å | Aromatic |
| C48 | C47 | doub | 1.35Å | 1.38Å | Aromatic |
| O45 | C46 | sing | 1.43Å | 1.44Å | |
| O45 | C42 | sing | 1.36Å | 1.42Å | |
| O54 | C53 | doub | 1.21Å | 1.24Å | |
| C43 | C42 | doub | 1.38Å | 1.48Å | Aromatic |
| C43 | C38 | sing | 1.40Å | 1.36Å | Aromatic |
| N37 | C38 | doub | 1.34Å | 1.40Å | Aromatic |
| N37 | C36 | sing | 1.32Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.40Å | 1.37Å | Aromatic |
| C47 | C36 | sing | 1.48Å | 1.43Å | |
| C47 | N51 | sing | 1.33Å | 1.38Å | Aromatic |
| C50 | N52 | sing | 1.39Å | 1.38Å | |
| C50 | N51 | doub | 1.30Å | 1.31Å | Aromatic |
| C38 | C39 | sing | 1.42Å | 1.51Å | Aromatic |
| C53 | N52 | sing | 1.35Å | 1.39Å | |
| C53 | C55 | sing | 1.51Å | 1.55Å | |
| C57 | C55 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | doub | 1.40Å | 1.38Å | Aromatic |
| C41 | C40 | doub | 1.36Å | 1.52Å | Aromatic |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.40Å | 1.52Å | Aromatic |
| C39 | C34 | doub | 1.42Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.37Å | 1.49Å | Aromatic |
| C34 | O33 | sing | 1.36Å | 1.42Å | |
| O33 | C14 | sing | 1.43Å | 1.47Å | |
| C30 | C31 | sing | 1.55Å | 1.52Å | |
| C30 | C29 | sing | 1.55Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C13 | C12 | sing | 1.54Å | 1.55Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| N9 | C4 | sing | 1.46Å | 1.46Å | |
| N9 | C10 | sing | 1.35Å | 1.38Å | |
| O1 | C2 | doub | 1.21Å | 1.28Å | |
| C31 | C32 | sing | 1.54Å | 1.51Å | |
| C12 | C10 | sing | 1.51Å | 1.55Å | |
| C12 | N16 | sing | 1.47Å | 1.48Å | |
| C29 | C28 | sing | 1.54Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C2 | C4 | sing | 1.51Å | 1.55Å | |
| C2 | O3 | sing | 1.34Å | 1.26Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| C28 | C32 | sing | 1.54Å | 1.51Å | |
| C28 | O27 | sing | 1.45Å | 1.43Å | |
| N16 | C17 | sing | 1.35Å | 1.41Å | |
| C6 | C7 | sing | 1.51Å | 1.46Å | |
| O26 | C25 | doub | 1.22Å | 1.23Å | |
| O18 | C17 | doub | 1.21Å | 1.24Å | |
| C17 | C19 | sing | 1.51Å | 1.56Å | |
| O27 | C25 | sing | 1.35Å | 1.37Å | |
| C25 | N24 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | doub | 1.31Å | 1.34Å | |
| N24 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.59Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N9 | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| N24 | H25 | sing | 0.97Å | 1.00Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| C41 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.08Å | 1.08Å | |
| N52 | H43 | sing | 0.97Å | 1.00Å | |
| C55 | H44 | sing | 1.09Å | 1.10Å | |
| C56 | H45 | sing | 1.09Å | 1.10Å | |
| C56 | H46 | sing | 1.09Å | 1.10Å | |
| C56 | H47 | sing | 1.09Å | 1.10Å | |
| C57 | H48 | sing | 1.09Å | 1.10Å | |
| C57 | H49 | sing | 1.09Å | 1.10Å | |
| C57 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C48 | S49 | C50 | 90.2° | 90.1° |
| S49 | C48 | C47 | 109.4° | 108.2° |
| S49 | C48 | H42 | 125.3° | 125.9° |
| S49 | C50 | N52 | 124.1° | 125.3° |
| S49 | C50 | N51 | 115.1° | 109.6° |
| C48 | C47 | C36 | 125.2° | 122.4° |
| C48 | C47 | N51 | 115.4° | 115.2° |
| C47 | C48 | H42 | 125.3° | 125.8° |
| C46 | O45 | C42 | 119.9° | 117.0° |
| O45 | C46 | H39 | 109.5° | 109.4° |
| O45 | C46 | H40 | 109.5° | 109.5° |
| O45 | C46 | H41 | 109.5° | 109.4° |
| O45 | C42 | C43 | 113.4° | 119.6° |
| O45 | C42 | C41 | 127.5° | 119.7° |
| O54 | C53 | N52 | 122.6° | 120.0° |
| O54 | C53 | C55 | 124.2° | 120.0° |
| C42 | C43 | C38 | 122.8° | 119.6° |
| C43 | C42 | C41 | 119.1° | 120.7° |
| C42 | C43 | H38 | 118.6° | 120.2° |
| C43 | C38 | N37 | 124.0° | 120.9° |
| C43 | C38 | C39 | 120.7° | 119.1° |
| C38 | C43 | H38 | 118.6° | 120.2° |
| C38 | N37 | C36 | 126.3° | 121.4° |
| N37 | C38 | C39 | 115.2° | 120.0° |
| N37 | C36 | C47 | 119.6° | 119.3° |
| N37 | C36 | C35 | 118.4° | 121.5° |
| C42 | C41 | C40 | 123.6° | 120.8° |
| C42 | C41 | H37 | 118.2° | 119.5° |
| C36 | C47 | N51 | 119.4° | 122.4° |
| C47 | C36 | C35 | 122.0° | 119.2° |
| C47 | N51 | C50 | 109.9° | 116.9° |
| N52 | C50 | N51 | 120.7° | 125.2° |
| C50 | N52 | C53 | 125.8° | 119.9° |
| C50 | N52 | H43 | 117.1° | 120.1° |
| C38 | C39 | C40 | 118.3° | 119.8° |
| C38 | C39 | C34 | 119.6° | 119.0° |
| N52 | C53 | C55 | 113.2° | 120.0° |
| C53 | N52 | H43 | 117.1° | 120.0° |
| C53 | C55 | C57 | 111.0° | 109.5° |
| C53 | C55 | C56 | 111.9° | 109.5° |
| C53 | C55 | H44 | 107.5° | 109.5° |
| C57 | C55 | C56 | 110.7° | 109.5° |
| C57 | C55 | H44 | 107.7° | 109.5° |
| C55 | C57 | H48 | 109.5° | 109.5° |
| C55 | C57 | H49 | 109.5° | 109.5° |
| C55 | C57 | H50 | 109.5° | 109.5° |
| C36 | C35 | C34 | 119.9° | 119.8° |
| C36 | C35 | H35 | 120.0° | 120.1° |
| C41 | C40 | C39 | 115.4° | 119.9° |
| C41 | C40 | H36 | 122.3° | 120.0° |
| C40 | C41 | H37 | 118.2° | 119.6° |
| C56 | C55 | H44 | 107.7° | 109.5° |
| C55 | C56 | H45 | 109.5° | 109.5° |
| C55 | C56 | H46 | 109.5° | 109.5° |
| C55 | C56 | H47 | 109.4° | 109.5° |
| C40 | C39 | C34 | 122.1° | 121.1° |
| C39 | C40 | H36 | 122.3° | 120.1° |
| C39 | C34 | C35 | 120.5° | 118.3° |
| C39 | C34 | O33 | 120.4° | 120.8° |
| C35 | C34 | O33 | 119.0° | 120.9° |
| C34 | C35 | H35 | 120.1° | 120.1° |
| C34 | O33 | C14 | 120.7° | 117.0° |
| O33 | C14 | C13 | 108.5° | 111.0° |
| O33 | C14 | C15 | 107.4° | 111.0° |
| O33 | C14 | H12 | 113.8° | 110.9° |
| C31 | C30 | C29 | 105.2° | 102.7° |
| C30 | C31 | C32 | 105.3° | 104.2° |
| C31 | C30 | H29 | 110.6° | 110.7° |
| C31 | C30 | H30 | 110.5° | 110.7° |
| C30 | C31 | H31 | 110.5° | 110.5° |
| C30 | C31 | H32 | 110.5° | 110.5° |
| C30 | C29 | C28 | 102.6° | 104.2° |
| C30 | C29 | H27 | 111.2° | 110.5° |
| C30 | C29 | H28 | 111.2° | 110.6° |
| C29 | C30 | H29 | 110.5° | 110.8° |
| C29 | C30 | H30 | 110.5° | 110.8° |
| C14 | C13 | C12 | 104.1° | 102.9° |
| C13 | C14 | C15 | 100.4° | 101.6° |
| C14 | C13 | H10 | 110.8° | 110.7° |
| C14 | C13 | H11 | 110.8° | 110.7° |
| C13 | C14 | H12 | 112.9° | 111.0° |
| C13 | C12 | C10 | 109.4° | 109.9° |
| C13 | C12 | N16 | 103.8° | 107.3° |
| C13 | C12 | H9 | 109.9° | 110.0° |
| C12 | C13 | H10 | 110.8° | 110.7° |
| C12 | C13 | H11 | 110.8° | 110.8° |
| C14 | C15 | N16 | 104.4° | 104.9° |
| C15 | C14 | H12 | 112.9° | 111.0° |
| C14 | C15 | H13 | 110.7° | 110.4° |
| C14 | C15 | H14 | 110.7° | 110.4° |
| C4 | N9 | C10 | 123.1° | 119.9° |
| N9 | C4 | C5 | 117.4° | 117.4° |
| N9 | C4 | C2 | 114.5° | 115.6° |
| N9 | C4 | C6 | 116.2° | 117.5° |
| C4 | N9 | H8 | 118.5° | 120.1° |
| N9 | C10 | C12 | 113.4° | 120.0° |
| N9 | C10 | O11 | 124.6° | 120.0° |
| C10 | N9 | H8 | 118.4° | 120.0° |
| O1 | C2 | C4 | 117.8° | 120.1° |
| O1 | C2 | O3 | 122.1° | 120.0° |
| C31 | C32 | C28 | 101.5° | 106.6° |
| C32 | C31 | H31 | 110.5° | 110.5° |
| C32 | C31 | H32 | 110.5° | 110.5° |
| C31 | C32 | H33 | 111.4° | 110.1° |
| C31 | C32 | H34 | 111.4° | 110.0° |
| C10 | C12 | N16 | 112.9° | 109.9° |
| C12 | C10 | O11 | 122.0° | 120.0° |
| C10 | C12 | H9 | 109.8° | 109.9° |
| C12 | N16 | C15 | 109.9° | 108.7° |
| C12 | N16 | C17 | 120.7° | 125.6° |
| N16 | C12 | H9 | 110.9° | 109.9° |
| C29 | C28 | C32 | 100.0° | 106.6° |
| C29 | C28 | O27 | 114.6° | 110.0° |
| C29 | C28 | H26 | 110.4° | 110.1° |
| C28 | C29 | H27 | 111.2° | 110.5° |
| C28 | C29 | H28 | 111.2° | 110.5° |
| C4 | C5 | C6 | 61.4° | 60.0° |
| C5 | C4 | C2 | 115.1° | 117.5° |
| C5 | C4 | C6 | 58.1° | 60.0° |
| C4 | C5 | H2 | 119.8° | 117.5° |
| C4 | C5 | H3 | 119.8° | 117.5° |
| C5 | C6 | C4 | 60.5° | 60.0° |
| C5 | C6 | C7 | 120.7° | 117.5° |
| C6 | C5 | H2 | 119.8° | 117.5° |
| C6 | C5 | H3 | 119.8° | 117.5° |
| C5 | C6 | H4 | 113.5° | 117.5° |
| C4 | C2 | O3 | 120.1° | 120.0° |
| C2 | C4 | C6 | 123.5° | 117.5° |
| C2 | O3 | H1 | 109.5° | 117.0° |
| C4 | C6 | C7 | 124.7° | 117.5° |
| C4 | C6 | H4 | 112.7° | 117.5° |
| C15 | N16 | C17 | 129.3° | 125.7° |
| N16 | C15 | H13 | 110.7° | 110.4° |
| N16 | C15 | H14 | 110.7° | 110.4° |
| C32 | C28 | O27 | 109.3° | 110.0° |
| C32 | C28 | H26 | 110.4° | 110.0° |
| C28 | C32 | H33 | 111.4° | 110.0° |
| C28 | C32 | H34 | 111.4° | 110.0° |
| C28 | O27 | C25 | 114.6° | 117.0° |
| O27 | C28 | H26 | 111.7° | 110.0° |
| N16 | C17 | O18 | 119.1° | 120.0° |
| N16 | C17 | C19 | 119.7° | 120.0° |
| C6 | C7 | C8 | 124.5° | 120.0° |
| C7 | C6 | H4 | 114.2° | 115.5° |
| C6 | C7 | H5 | 117.8° | 120.0° |
| O26 | C25 | O27 | 125.3° | 120.0° |
| O26 | C25 | N24 | 124.4° | 120.0° |
| O18 | C17 | C19 | 121.2° | 120.0° |
| C17 | C19 | N24 | 108.3° | 109.5° |
| C17 | C19 | C20 | 115.3° | 109.4° |
| C17 | C19 | H15 | 105.5° | 109.5° |
| O27 | C25 | N24 | 110.4° | 120.0° |
| C25 | N24 | C19 | 122.0° | 120.0° |
| C25 | N24 | H25 | 119.0° | 120.0° |
| C8 | C7 | H5 | 117.7° | 120.0° |
| C7 | C8 | H6 | 120.0° | 120.0° |
| C7 | C8 | H7 | 120.0° | 120.0° |
| N24 | C19 | C20 | 115.0° | 109.5° |
| N24 | C19 | H15 | 106.6° | 109.5° |
| C19 | N24 | H25 | 119.0° | 120.0° |
| C19 | C20 | C21 | 109.6° | 109.5° |
| C19 | C20 | C22 | 114.2° | 109.5° |
| C19 | C20 | C23 | 109.5° | 109.5° |
| C20 | C19 | H15 | 105.3° | 109.5° |
| C21 | C20 | C22 | 108.9° | 109.5° |
| C21 | C20 | C23 | 106.8° | 109.4° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C22 | C20 | C23 | 107.5° | 109.5° |
| C20 | C22 | H19 | 109.5° | 109.5° |
| C20 | C22 | H20 | 109.5° | 109.5° |
| C20 | C22 | H21 | 109.5° | 109.4° |
| C20 | C23 | H22 | 109.5° | 109.5° |
| C20 | C23 | H23 | 109.5° | 109.5° |
| C20 | C23 | H24 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 115.6° |
| H6 | C8 | H7 | 120.0° | 119.9° |
| H10 | C13 | H11 | 109.5° | 110.8° |
| H13 | C15 | H14 | 109.5° | 110.3° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.5° | 109.6° |
| H19 | C22 | H20 | 109.5° | 109.6° |
| H19 | C22 | H21 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.4° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H27 | C29 | H28 | 109.5° | 110.4° |
| H29 | C30 | H30 | 109.4° | 110.9° |
| H31 | C31 | H32 | 109.4° | 110.5° |
| H33 | C32 | H34 | 109.5° | 110.0° |
| H39 | C46 | H40 | 109.5° | 109.5° |
| H39 | C46 | H41 | 109.5° | 109.5° |
| H40 | C46 | H41 | 109.4° | 109.5° |
| H45 | C56 | H46 | 109.4° | 109.5° |
| H45 | C56 | H47 | 109.5° | 109.4° |
| H46 | C56 | H47 | 109.5° | 109.5° |
| H48 | C57 | H49 | 109.5° | 109.4° |
| H48 | C57 | H50 | 109.5° | 109.5° |
| H49 | C57 | H50 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S49 | C48 | C47 | H42 | 180.0° | 179.9° |
| S49 | C48 | C47 | C36 | 179.1° | 180.0° |
| S49 | C48 | C47 | N51 | 0.4° | 0.3° |
| C48 | S49 | C50 | N52 | 179.3° | 180.0° |
| C48 | S49 | C50 | N51 | 0.8° | 0.3° |
| C50 | S49 | C48 | C47 | 0.6° | 0.0° |
| S49 | C50 | N51 | C47 | 0.7° | 0.5° |
| S49 | C50 | N52 | N51 | 178.4° | 179.7° |
| S49 | C50 | N52 | C53 | 16.5° | 0.0° |
| C50 | S49 | C48 | H42 | 179.4° | 180.0° |
| S49 | C50 | N52 | H43 | 163.5° | 179.9° |
| C48 | C47 | C36 | N37 | 4.8° | 0.3° |
| C48 | C47 | C36 | N51 | 179.5° | 179.7° |
| C48 | C47 | N51 | C50 | 0.1° | 0.5° |
| C48 | C47 | C36 | C35 | 176.1° | 179.7° |
| C46 | O45 | C42 | C43 | 179.6° | 179.7° |
| C46 | O45 | C42 | C41 | 0.0° | 0.0° |
| O45 | C46 | H39 | H40 | 120.0° | 120.0° |
| O45 | C46 | H39 | H41 | 120.0° | 119.9° |
| O45 | C46 | H40 | H41 | 120.0° | 120.0° |
| O45 | C42 | C43 | C41 | 179.7° | 179.7° |
| O45 | C42 | C43 | C38 | 179.9° | 179.8° |
| O45 | C42 | C41 | C40 | 179.9° | 179.9° |
| O45 | C42 | C41 | H37 | 0.1° | 0.0° |
| O45 | C42 | C43 | H38 | 0.1° | 0.3° |
| C42 | O45 | C46 | H39 | 180.0° | 60.1° |
| C42 | O45 | C46 | H40 | 60.0° | 60.0° |
| C42 | O45 | C46 | H41 | 60.0° | 180.0° |
| O54 | C53 | N52 | C50 | 0.4° | 0.0° |
| O54 | C53 | N52 | C55 | 179.8° | 180.0° |
| O54 | C53 | C55 | C57 | 66.4° | 120.0° |
| O54 | C53 | C55 | C56 | 57.9° | 0.0° |
| O54 | C53 | N52 | H43 | 179.7° | 180.0° |
| O54 | C53 | C55 | H44 | 176.0° | 120.0° |
| C42 | C43 | C38 | H38 | 180.0° | 179.5° |
| C42 | C43 | C38 | N37 | 179.4° | 179.8° |
| C42 | C43 | C38 | C39 | 0.9° | 0.5° |
| C43 | C42 | C41 | C40 | 0.4° | 0.3° |
| C43 | C42 | C41 | H37 | 179.7° | 179.7° |
| C43 | C38 | N37 | C39 | 178.6° | 179.8° |
| C43 | C38 | N37 | C36 | 179.5° | 180.0° |
| C38 | C43 | C42 | C41 | 0.5° | 0.5° |
| C43 | C38 | C39 | C40 | 1.1° | 0.2° |
| C43 | C38 | C39 | C34 | 179.7° | 179.8° |
| C38 | N37 | C36 | C47 | 180.0° | 180.0° |
| C38 | N37 | C36 | C35 | 0.8° | 0.0° |
| N37 | C38 | C39 | C40 | 179.8° | 179.9° |
| N37 | C38 | C39 | C34 | 1.1° | 0.5° |
| N37 | C38 | C43 | H38 | 0.6° | 0.3° |
| N37 | C36 | C47 | C35 | 179.2° | 180.0° |
| N37 | C36 | C47 | N51 | 174.7° | 180.0° |
| C36 | N37 | C38 | C39 | 0.9° | 0.3° |
| N37 | C36 | C35 | C34 | 0.7° | 0.0° |
| N37 | C36 | C35 | H35 | 179.3° | 180.0° |
| C42 | C41 | C40 | H37 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 0.6° | 0.1° |
| C42 | C41 | C40 | H36 | 179.3° | 180.0° |
| C41 | C42 | C43 | H38 | 179.5° | 180.0° |
| C36 | C47 | N51 | C50 | 179.7° | 179.8° |
| C47 | C36 | C35 | C34 | 179.9° | 180.0° |
| C47 | C36 | C35 | H35 | 0.1° | 0.0° |
| C36 | C47 | C48 | H42 | 0.9° | 0.1° |
| C47 | N51 | C50 | N52 | 179.2° | 179.8° |
| N51 | C47 | C36 | C35 | 4.5° | 0.1° |
| N51 | C47 | C48 | H42 | 179.6° | 179.8° |
| C50 | N52 | C53 | H43 | 180.0° | 179.9° |
| C50 | N52 | C53 | C55 | 179.5° | 180.0° |
| N51 | C50 | N52 | C53 | 161.9° | 179.7° |
| N51 | C50 | N52 | H43 | 18.1° | 0.3° |
| C38 | C39 | C40 | C41 | 1.0° | 0.1° |
| C38 | C39 | C40 | C34 | 179.1° | 179.6° |
| C38 | C39 | C34 | C35 | 1.1° | 0.4° |
| C38 | C39 | C34 | O33 | 179.9° | 179.8° |
| C38 | C39 | C40 | H36 | 179.0° | 180.0° |
| C39 | C38 | C43 | H38 | 179.1° | 180.0° |
| N52 | C53 | C55 | C57 | 113.8° | 60.0° |
| N52 | C53 | C55 | C56 | 121.9° | 180.0° |
| N52 | C53 | C55 | H44 | 3.8° | 60.0° |
| C53 | C55 | C57 | C56 | 125.0° | 120.0° |
| C53 | C55 | C57 | H44 | 117.5° | 120.0° |
| C53 | C55 | C56 | H44 | 118.0° | 120.0° |
| C55 | C53 | N52 | H43 | 0.5° | 0.1° |
| C53 | C55 | C56 | H45 | 180.0° | 60.0° |
| C53 | C55 | C56 | H46 | 60.0° | 180.0° |
| C53 | C55 | C56 | H47 | 60.0° | 60.0° |
| C53 | C55 | C57 | H48 | 180.0° | 60.0° |
| C53 | C55 | C57 | H49 | 60.0° | 60.0° |
| C53 | C55 | C57 | H50 | 60.0° | 180.0° |
| C57 | C55 | C56 | H44 | 117.6° | 120.0° |
| C57 | C55 | C56 | H45 | 55.6° | 60.0° |
| C57 | C55 | C56 | H46 | 64.5° | 60.0° |
| C57 | C55 | C56 | H47 | 175.6° | 180.0° |
| C55 | C57 | H48 | H49 | 120.0° | 120.0° |
| C55 | C57 | H48 | H50 | 120.0° | 120.0° |
| C55 | C57 | H49 | H50 | 120.0° | 120.0° |
| C36 | C35 | C34 | C39 | 1.0° | 0.2° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | O33 | 179.8° | 180.0° |
| C41 | C40 | C39 | H36 | 180.0° | 179.9° |
| C41 | C40 | C39 | C34 | 179.9° | 179.5° |
| C55 | C56 | H45 | H46 | 120.0° | 120.0° |
| C55 | C56 | H45 | H47 | 120.0° | 120.0° |
| C55 | C56 | H46 | H47 | 120.0° | 120.1° |
| C56 | C55 | C57 | H48 | 55.0° | 60.0° |
| C56 | C55 | C57 | H49 | 175.0° | 180.0° |
| C56 | C55 | C57 | H50 | 65.0° | 60.0° |
| C40 | C39 | C34 | C35 | 179.7° | 180.0° |
| C40 | C39 | C34 | O33 | 1.0° | 0.2° |
| C39 | C40 | C41 | H37 | 179.4° | 180.0° |
| C39 | C34 | C35 | O33 | 178.8° | 179.8° |
| C39 | C34 | O33 | C14 | 175.5° | 179.2° |
| C39 | C34 | C35 | H35 | 179.0° | 179.8° |
| C34 | C39 | C40 | H36 | 0.1° | 0.4° |
| C35 | C34 | O33 | C14 | 5.7° | 0.6° |
| C34 | O33 | C14 | C13 | 90.8° | 157.3° |
| C34 | O33 | C14 | C15 | 161.5° | 90.6° |
| C34 | O33 | C14 | H12 | 35.8° | 33.4° |
| O33 | C34 | C35 | H35 | 0.2° | 0.0° |
| O33 | C14 | C13 | C15 | 112.4° | 118.1° |
| O33 | C14 | C13 | H12 | 127.1° | 123.8° |
| O33 | C14 | C13 | C12 | 72.1° | 153.6° |
| O33 | C14 | C15 | H12 | 126.3° | 123.9° |
| O33 | C14 | C15 | N16 | 74.5° | 155.1° |
| O33 | C14 | C13 | H10 | 47.0° | 88.1° |
| O33 | C14 | C13 | H11 | 168.7° | 35.2° |
| O33 | C14 | C15 | H13 | 166.3° | 86.1° |
| O33 | C14 | C15 | H14 | 44.6° | 36.2° |
| C31 | C30 | C29 | H29 | 119.3° | 118.3° |
| C31 | C30 | C29 | H30 | 119.3° | 118.3° |
| C30 | C31 | C32 | H31 | 119.3° | 118.7° |
| C30 | C31 | C32 | H32 | 119.4° | 118.7° |
| C31 | C30 | C29 | C28 | 26.1° | 37.9° |
| C30 | C31 | C32 | C28 | 32.9° | 23.6° |
| C31 | C30 | C29 | H27 | 145.0° | 80.7° |
| C31 | C30 | C29 | H28 | 92.8° | 156.7° |
| C31 | C30 | H29 | H30 | 122.0° | 123.3° |
| C30 | C31 | H31 | H32 | 122.0° | 122.6° |
| C30 | C31 | C32 | H33 | 85.8° | 95.7° |
| C30 | C31 | C32 | H34 | 151.6° | 142.9° |
| C29 | C30 | C31 | C32 | 4.2° | 38.0° |
| C30 | C29 | C28 | H27 | 118.9° | 118.6° |
| C30 | C29 | C28 | H28 | 118.9° | 118.8° |
| C30 | C29 | C28 | C32 | 46.4° | 23.6° |
| C30 | C29 | C28 | O27 | 163.0° | 142.9° |
| C30 | C29 | C28 | H26 | 69.9° | 95.7° |
| C30 | C29 | H27 | H28 | 123.2° | 122.6° |
| C29 | C30 | H29 | H30 | 122.0° | 123.4° |
| C29 | C30 | C31 | H31 | 123.6° | 80.8° |
| C29 | C30 | C31 | H32 | 115.1° | 156.6° |
| C14 | C13 | C12 | H10 | 119.1° | 118.3° |
| C14 | C13 | C12 | H11 | 119.1° | 118.4° |
| C13 | C14 | C15 | H12 | 120.4° | 118.1° |
| C14 | C13 | C12 | C10 | 147.8° | 97.2° |
| C14 | C13 | C12 | N16 | 27.0° | 22.2° |
| C13 | C14 | C15 | N16 | 38.8° | 37.0° |
| C14 | C13 | C12 | H9 | 91.6° | 141.7° |
| C14 | C13 | H10 | H11 | 122.5° | 123.2° |
| C13 | C14 | C15 | H13 | 80.4° | 155.9° |
| C13 | C14 | C15 | H14 | 157.9° | 81.8° |
| C12 | C13 | C14 | C15 | 40.3° | 35.5° |
| C13 | C12 | C10 | N9 | 108.1° | 62.2° |
| C13 | C12 | C10 | N16 | 115.1° | 117.8° |
| C13 | C12 | C10 | H9 | 120.6° | 121.2° |
| C13 | C12 | N16 | H9 | 117.9° | 119.6° |
| C13 | C12 | C10 | O11 | 74.2° | 117.8° |
| C13 | C12 | N16 | C15 | 2.4° | 1.0° |
| C13 | C12 | N16 | C17 | 179.2° | 179.0° |
| C12 | C13 | H10 | H11 | 122.5° | 123.3° |
| C12 | C13 | C14 | H12 | 160.7° | 82.6° |
| C14 | C15 | N16 | C12 | 23.2° | 24.1° |
| C14 | C15 | N16 | H13 | 119.2° | 118.9° |
| C14 | C15 | N16 | H14 | 119.2° | 118.9° |
| C14 | C15 | N16 | C17 | 155.0° | 155.9° |
| C15 | C14 | C13 | H10 | 159.4° | 153.9° |
| C15 | C14 | C13 | H11 | 78.9° | 82.9° |
| C14 | C15 | H13 | H14 | 122.4° | 122.3° |
| C4 | N9 | C10 | H8 | 180.0° | 180.0° |
| N9 | C4 | C2 | O1 | 0.3° | 179.5° |
| C4 | N9 | C10 | C12 | 157.0° | 174.7° |
| N9 | C4 | C5 | C2 | 139.4° | 145.0° |
| N9 | C4 | C5 | C6 | 105.3° | 107.5° |
| N9 | C4 | C2 | C6 | 152.4° | 145.7° |
| N9 | C4 | C2 | O3 | 178.6° | 0.5° |
| C4 | N9 | C10 | O11 | 20.6° | 5.3° |
| N9 | C4 | C6 | C7 | 143.9° | 145.1° |
| N9 | C4 | C5 | H2 | 4.5° | 0.0° |
| N9 | C4 | C5 | H3 | 144.8° | 145.0° |
| N9 | C4 | C6 | H4 | 2.2° | 0.1° |
| N9 | C10 | C12 | O11 | 177.7° | 180.0° |
| N9 | C10 | C12 | N16 | 136.8° | 180.0° |
| C10 | N9 | C4 | C5 | 140.1° | 133.8° |
| C10 | N9 | C4 | C2 | 80.3° | 80.5° |
| C10 | N9 | C4 | C6 | 74.2° | 65.2° |
| N9 | C10 | C12 | H9 | 12.5° | 59.0° |
| O1 | C2 | C4 | C5 | 140.8° | 34.9° |
| O1 | C2 | C4 | O3 | 178.9° | 180.0° |
| O1 | C2 | C4 | C6 | 152.1° | 33.7° |
| O1 | C2 | O3 | H1 | 0.0° | 0.0° |
| C31 | C32 | C28 | C29 | 48.9° | 0.0° |
| C31 | C32 | C28 | H33 | 118.7° | 119.3° |
| C31 | C32 | C28 | H34 | 118.7° | 119.3° |
| C31 | C32 | C28 | O27 | 169.5° | 119.3° |
| C31 | C32 | C28 | H26 | 67.3° | 119.4° |
| C32 | C31 | C30 | H29 | 123.6° | 156.2° |
| C32 | C31 | C30 | H30 | 115.1° | 80.3° |
| C32 | C31 | H31 | H32 | 121.9° | 122.6° |
| C31 | C32 | H33 | H34 | 123.7° | 121.4° |
| C10 | C12 | N16 | H9 | 123.7° | 121.0° |
| C10 | C12 | N16 | C15 | 120.7° | 120.5° |
| C10 | C12 | N16 | C17 | 60.9° | 59.6° |
| C12 | C10 | N9 | H8 | 23.0° | 5.3° |
| C10 | C12 | C13 | H10 | 93.0° | 21.1° |
| C10 | C12 | C13 | H11 | 28.7° | 144.4° |
| N16 | C12 | C10 | O11 | 40.8° | 0.0° |
| C12 | N16 | C15 | C17 | 178.2° | 180.0° |
| C12 | N16 | C17 | O18 | 0.4° | 4.4° |
| C12 | N16 | C17 | C19 | 179.4° | 175.7° |
| N16 | C12 | C13 | H10 | 146.2° | 140.5° |
| N16 | C12 | C13 | H11 | 92.1° | 96.2° |
| C12 | N16 | C15 | H13 | 96.0° | 143.0° |
| C12 | N16 | C15 | H14 | 142.4° | 94.8° |
| C29 | C28 | C32 | O27 | 120.6° | 119.3° |
| C29 | C28 | C32 | H26 | 116.2° | 119.4° |
| C29 | C28 | O27 | H26 | 126.4° | 121.5° |
| C29 | C28 | O27 | C25 | 88.3° | 92.9° |
| C28 | C29 | H27 | H28 | 123.2° | 122.6° |
| C28 | C29 | C30 | H29 | 93.3° | 156.2° |
| C28 | C29 | C30 | H30 | 145.4° | 80.3° |
| C29 | C28 | C32 | H33 | 69.8° | 119.3° |
| C29 | C28 | C32 | H34 | 167.6° | 119.3° |
| C4 | C5 | C6 | H2 | 109.8° | 107.5° |
| C4 | C5 | C6 | H3 | 109.8° | 107.5° |
| C5 | C4 | C2 | C6 | 67.1° | 68.6° |
| C5 | C4 | C2 | O3 | 38.0° | 145.2° |
| C4 | C5 | C6 | C7 | 115.2° | 107.5° |
| C4 | C5 | H2 | H3 | 144.0° | 145.6° |
| C4 | C5 | C6 | H4 | 103.8° | 107.5° |
| C5 | C4 | N9 | H8 | 39.9° | 46.3° |
| C5 | C6 | C7 | H4 | 140.8° | 145.6° |
| C5 | C6 | C7 | C8 | 176.4° | 171.3° |
| C6 | C5 | H2 | H3 | 144.0° | 145.7° |
| C5 | C6 | C7 | H5 | 3.6° | 8.7° |
| C2 | C4 | C6 | C7 | 8.1° | 0.0° |
| C4 | C2 | O3 | H1 | 178.9° | 180.0° |
| C2 | C4 | C5 | H2 | 134.9° | 145.0° |
| C2 | C4 | C5 | H3 | 5.4° | 0.0° |
| C2 | C4 | C6 | H4 | 154.2° | 145.0° |
| C2 | C4 | N9 | H8 | 99.8° | 99.4° |
| O3 | C2 | C4 | C6 | 29.0° | 146.2° |
| C4 | C6 | C7 | H4 | 145.7° | 145.7° |
| C4 | C6 | C7 | C8 | 110.1° | 120.0° |
| C4 | C6 | C7 | H5 | 69.9° | 60.0° |
| C6 | C4 | N9 | H8 | 105.8° | 114.8° |
| O11 | C10 | N9 | H8 | 159.4° | 174.7° |
| O11 | C10 | C12 | H9 | 165.1° | 121.0° |
| C15 | N16 | C17 | O18 | 177.7° | 175.6° |
| C15 | N16 | C17 | C19 | 2.5° | 4.4° |
| C15 | N16 | C12 | H9 | 115.6° | 118.5° |
| N16 | C15 | C14 | H12 | 159.2° | 81.1° |
| N16 | C15 | H13 | H14 | 122.4° | 122.3° |
| C32 | C28 | O27 | H26 | 122.4° | 121.4° |
| C32 | C28 | O27 | C25 | 160.5° | 150.0° |
| C32 | C28 | C29 | H27 | 165.3° | 95.0° |
| C32 | C28 | C29 | H28 | 72.5° | 142.4° |
| C28 | C32 | C31 | H31 | 152.3° | 95.1° |
| C28 | C32 | C31 | H32 | 86.4° | 142.3° |
| C28 | C32 | H33 | H34 | 123.7° | 121.4° |
| C28 | O27 | C25 | O26 | 78.7° | 0.2° |
| C28 | O27 | C25 | N24 | 101.4° | 180.0° |
| O27 | C28 | C29 | H27 | 78.1° | 24.2° |
| O27 | C28 | C29 | H28 | 44.1° | 98.3° |
| O27 | C28 | C32 | H33 | 50.8° | 121.4° |
| O27 | C28 | C32 | H34 | 71.8° | 0.0° |
| N16 | C17 | O18 | C19 | 179.8° | 180.0° |
| N16 | C17 | C19 | N24 | 117.5° | 147.4° |
| N16 | C17 | C19 | C20 | 112.0° | 92.6° |
| C17 | N16 | C12 | H9 | 62.8° | 61.5° |
| C17 | N16 | C15 | H13 | 85.8° | 37.0° |
| C17 | N16 | C15 | H14 | 35.8° | 85.2° |
| N16 | C17 | C19 | H15 | 3.6° | 27.4° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | H2 | 135.0° | 145.0° |
| C7 | C6 | C5 | H3 | 5.4° | 0.1° |
| C6 | C7 | C8 | H6 | 180.0° | 0.0° |
| C6 | C7 | C8 | H7 | 0.0° | 180.0° |
| O26 | C25 | O27 | N24 | 179.9° | 179.8° |
| O26 | C25 | N24 | C19 | 0.6° | 0.0° |
| O26 | C25 | N24 | H25 | 179.4° | 179.9° |
| O18 | C17 | C19 | N24 | 62.7° | 32.6° |
| O18 | C17 | C19 | C20 | 67.8° | 87.4° |
| O18 | C17 | C19 | H15 | 176.6° | 152.6° |
| C17 | C19 | N24 | C25 | 92.8° | 155.0° |
| C17 | C19 | N24 | C20 | 130.7° | 120.0° |
| C17 | C19 | N24 | H15 | 113.1° | 120.0° |
| C17 | C19 | C20 | H15 | 115.8° | 120.0° |
| C17 | C19 | C20 | C21 | 65.5° | 65.0° |
| C17 | C19 | C20 | C22 | 57.1° | 55.1° |
| C17 | C19 | C20 | C23 | 177.7° | 175.1° |
| C17 | C19 | N24 | H25 | 87.2° | 25.0° |
| O27 | C25 | N24 | C19 | 179.3° | 179.7° |
| O27 | C25 | N24 | H25 | 0.7° | 0.3° |
| C25 | O27 | C28 | H26 | 38.1° | 28.6° |
| C25 | N24 | C19 | H25 | 180.0° | 180.0° |
| C25 | N24 | C19 | C20 | 136.5° | 85.0° |
| C25 | N24 | C19 | H15 | 20.3° | 35.0° |
| C8 | C7 | C6 | H4 | 35.5° | 25.7° |
| C7 | C8 | H6 | H7 | 180.0° | 180.0° |
| N24 | C19 | C20 | H15 | 117.0° | 120.0° |
| N24 | C19 | C20 | C21 | 167.3° | 55.0° |
| N24 | C19 | C20 | C22 | 70.1° | 175.1° |
| N24 | C19 | C20 | C23 | 50.5° | 65.0° |
| C19 | C20 | C21 | C22 | 125.7° | 120.0° |
| C19 | C20 | C21 | C23 | 118.6° | 120.0° |
| C19 | C20 | C22 | C23 | 121.7° | 120.0° |
| C19 | C20 | C21 | H16 | 180.0° | 60.0° |
| C19 | C20 | C21 | H17 | 60.0° | 180.0° |
| C19 | C20 | C21 | H18 | 60.0° | 59.9° |
| C19 | C20 | C22 | H19 | 180.0° | 64.7° |
| C19 | C20 | C22 | H20 | 60.0° | 175.2° |
| C19 | C20 | C22 | H21 | 60.0° | 55.3° |
| C19 | C20 | C23 | H22 | 180.0° | 60.0° |
| C19 | C20 | C23 | H23 | 60.0° | 180.0° |
| C19 | C20 | C23 | H24 | 60.0° | 60.0° |
| C20 | C19 | N24 | H25 | 43.5° | 95.0° |
| C21 | C20 | C22 | C23 | 115.3° | 120.0° |
| C21 | C20 | C19 | H15 | 50.3° | 175.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H18 | 120.0° | 120.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.1° |
| C21 | C20 | C22 | H19 | 57.1° | 175.3° |
| C21 | C20 | C22 | H20 | 177.1° | 55.2° |
| C21 | C20 | C22 | H21 | 63.0° | 64.8° |
| C21 | C20 | C23 | H22 | 61.3° | 60.0° |
| C21 | C20 | C23 | H23 | 58.7° | 60.0° |
| C21 | C20 | C23 | H24 | 178.6° | 180.0° |
| C22 | C20 | C19 | H15 | 172.9° | 64.9° |
| C22 | C20 | C21 | H16 | 54.3° | 60.0° |
| C22 | C20 | C21 | H17 | 65.7° | 59.9° |
| C22 | C20 | C21 | H18 | 174.4° | 180.0° |
| C20 | C22 | H19 | H20 | 120.0° | 120.0° |
| C20 | C22 | H19 | H21 | 120.0° | 120.0° |
| C20 | C22 | H20 | H21 | 120.0° | 119.9° |
| C22 | C20 | C23 | H22 | 55.4° | 180.0° |
| C22 | C20 | C23 | H23 | 175.4° | 60.0° |
| C22 | C20 | C23 | H24 | 64.7° | 60.0° |
| C23 | C20 | C19 | H15 | 66.5° | 55.1° |
| C23 | C20 | C21 | H16 | 61.4° | 180.0° |
| C23 | C20 | C21 | H17 | 178.6° | 60.1° |
| C23 | C20 | C21 | H18 | 58.6° | 60.0° |
| C23 | C20 | C22 | H19 | 58.2° | 55.3° |
| C23 | C20 | C22 | H20 | 61.8° | 64.8° |
| C23 | C20 | C22 | H21 | 178.3° | 175.3° |
| C20 | C23 | H22 | H23 | 120.0° | 120.0° |
| C20 | C23 | H22 | H24 | 120.0° | 120.0° |
| C20 | C23 | H23 | H24 | 120.0° | 120.0° |
| H2 | C5 | C6 | H4 | 6.1° | 0.0° |
| H3 | C5 | C6 | H4 | 146.4° | 145.0° |
| H4 | C6 | C7 | H5 | 144.5° | 154.3° |
| H5 | C7 | C8 | H6 | 0.0° | 180.0° |
| H5 | C7 | C8 | H7 | 180.0° | 0.0° |
| H9 | C12 | C13 | H10 | 27.6° | 100.0° |
| H9 | C12 | C13 | H11 | 149.3° | 23.3° |
| H10 | C13 | C14 | H12 | 80.1° | 35.8° |
| H11 | C13 | C14 | H12 | 41.6° | 159.0° |
| H12 | C14 | C15 | H13 | 40.0° | 37.8° |
| H12 | C14 | C15 | H14 | 81.6° | 160.1° |
| H15 | C19 | N24 | H25 | 159.7° | 145.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | H23 | H24 | 120.0° | 119.9° |
| H26 | C28 | C29 | H27 | 49.0° | 145.7° |
| H26 | C28 | C29 | H28 | 171.2° | 23.1° |
| H26 | C28 | C32 | H33 | 174.0° | 0.0° |
| H26 | C28 | C32 | H34 | 51.3° | 121.3° |
| H27 | C29 | C30 | H29 | 25.6° | 37.5° |
| H27 | C29 | C30 | H30 | 95.7° | 161.0° |
| H28 | C29 | C30 | H29 | 147.9° | 85.0° |
| H28 | C29 | C30 | H30 | 26.5° | 38.4° |
| H29 | C30 | C31 | H31 | 117.1° | 37.5° |
| H29 | C30 | C31 | H32 | 4.2° | 85.1° |
| H30 | C30 | C31 | H31 | 4.2° | 160.9° |
| H30 | C30 | C31 | H32 | 125.6° | 38.4° |
| H31 | C31 | C32 | H33 | 33.6° | 145.6° |
| H31 | C31 | C32 | H34 | 89.0° | 24.2° |
| H32 | C31 | C32 | H33 | 154.9° | 23.0° |
| H32 | C31 | C32 | H34 | 32.3° | 98.4° |
| H36 | C40 | C41 | H37 | 0.6° | 0.1° |
| H39 | C46 | H40 | H41 | 120.0° | 120.1° |
| H44 | C55 | C56 | H45 | 62.0° | 180.0° |
| H44 | C55 | C56 | H46 | 178.0° | 60.0° |
| H44 | C55 | C56 | H47 | 58.0° | 60.0° |
| H44 | C55 | C57 | H48 | 62.5° | 180.0° |
| H44 | C55 | C57 | H49 | 57.5° | 60.0° |
| H44 | C55 | C57 | H50 | 177.5° | 60.0° |
| H45 | C56 | H46 | H47 | 120.0° | 119.9° |
| H48 | C57 | H49 | H50 | 120.0° | 120.0° |
