EVR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N28 | sing | 1.47Å | 1.48Å | |
| C29 | N28 | sing | 1.47Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| C30 | N25 | sing | 1.47Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | N25 | sing | 1.47Å | 1.50Å | |
| N25 | C22 | sing | 1.47Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C52 | C44 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | N41 | sing | 1.47Å | 1.48Å | |
| C24 | N19 | sing | 1.47Å | 1.45Å | |
| O43 | S40 | doub | 1.42Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| O32 | C33 | sing | 1.43Å | 1.43Å | |
| O32 | C15 | sing | 1.36Å | 1.38Å | |
| C36 | S40 | sing | 1.76Å | 1.79Å | |
| C36 | C37 | doub | 1.39Å | 1.38Å | Aromatic |
| N41 | S40 | sing | 1.66Å | 1.74Å | |
| N19 | C20 | sing | 1.47Å | 1.45Å | |
| N19 | C16 | sing | 1.40Å | 1.39Å | |
| S40 | O42 | doub | 1.42Å | 1.46Å | |
| C38 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | N51 | sing | 1.40Å | 1.39Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| N51 | C45 | sing | 1.39Å | 1.41Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.41Å | |
| N48 | C45 | doub | 1.33Å | 1.34Å | Aromatic |
| N48 | C47 | sing | 1.32Å | 1.34Å | Aromatic |
| C45 | C49 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | O8 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C53 | sing | 1.53Å | 1.49Å | |
| C47 | N12 | sing | 1.38Å | 1.40Å | |
| C47 | N46 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | O9 | sing | 1.43Å | 1.44Å | |
| C4 | O8 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C49 | C53 | sing | 1.51Å | 1.49Å | |
| C49 | C50 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O9 | sing | 1.36Å | 1.39Å | |
| N46 | C50 | sing | 1.32Å | 1.33Å | Aromatic |
| C39 | H1 | sing | 1.08Å | 1.08Å | |
| C34 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C38 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C35 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C50 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C52 | H29 | sing | 1.09Å | 1.10Å | |
| C52 | H30 | sing | 1.09Å | 1.10Å | |
| C52 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C53 | H46 | sing | 1.09Å | 1.10Å | |
| C53 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| N51 | H52 | sing | 0.97Å | 1.00Å | |
| N12 | H53 | sing | 0.97Å | 1.00Å | |
| N41 | H54 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N28 | C29 | 113.2° | 111.0° |
| C31 | N28 | C27 | 108.9° | 111.0° |
| N28 | C31 | H32 | 109.5° | 109.5° |
| N28 | C31 | H33 | 109.5° | 109.4° |
| N28 | C31 | H34 | 109.5° | 109.6° |
| N28 | C29 | C30 | 111.0° | 109.4° |
| C29 | N28 | C27 | 111.6° | 110.8° |
| N28 | C29 | H26 | 109.1° | 109.5° |
| N28 | C29 | H27 | 109.1° | 109.5° |
| C29 | C30 | N25 | 114.6° | 109.4° |
| C29 | C30 | H22 | 108.2° | 109.5° |
| C29 | C30 | H23 | 108.2° | 109.5° |
| C30 | C29 | H26 | 109.1° | 109.5° |
| C30 | C29 | H27 | 109.1° | 109.5° |
| N28 | C27 | C26 | 109.6° | 109.3° |
| N28 | C27 | H24 | 109.5° | 109.5° |
| N28 | C27 | H25 | 109.4° | 109.5° |
| C30 | N25 | C26 | 115.2° | 110.9° |
| C30 | N25 | C22 | 110.9° | 111.0° |
| N25 | C30 | H22 | 108.2° | 109.5° |
| N25 | C30 | H23 | 108.2° | 109.5° |
| C27 | C26 | N25 | 114.1° | 109.4° |
| C27 | C26 | H20 | 108.3° | 109.5° |
| C27 | C26 | H21 | 108.3° | 109.5° |
| C26 | C27 | H24 | 109.4° | 109.5° |
| C26 | C27 | H25 | 109.4° | 109.5° |
| C26 | N25 | C22 | 111.3° | 111.0° |
| N25 | C26 | H20 | 108.3° | 109.5° |
| N25 | C26 | H21 | 108.3° | 109.5° |
| N25 | C22 | C23 | 113.9° | 109.5° |
| N25 | C22 | C21 | 114.3° | 109.5° |
| N25 | C22 | H28 | 104.6° | 109.6° |
| C22 | C23 | C24 | 111.4° | 109.3° |
| C23 | C22 | C21 | 113.7° | 109.2° |
| C22 | C23 | H14 | 109.0° | 109.5° |
| C22 | C23 | H15 | 109.0° | 109.6° |
| C23 | C22 | H28 | 104.4° | 109.5° |
| C23 | C24 | N19 | 111.9° | 109.5° |
| C24 | C23 | H14 | 109.0° | 109.5° |
| C24 | C23 | H15 | 109.0° | 109.5° |
| C23 | C24 | H18 | 108.9° | 109.5° |
| C23 | C24 | H19 | 108.9° | 109.4° |
| C22 | C21 | C20 | 113.1° | 109.2° |
| C22 | C21 | H12 | 108.6° | 109.5° |
| C22 | C21 | H13 | 108.5° | 109.5° |
| C21 | C22 | H28 | 104.4° | 109.5° |
| C52 | C44 | N41 | 113.6° | 109.5° |
| C44 | C52 | H29 | 109.5° | 109.5° |
| C44 | C52 | H30 | 109.5° | 109.4° |
| C44 | C52 | H31 | 109.5° | 109.5° |
| C52 | C44 | H48 | 108.5° | 109.4° |
| C52 | C44 | H49 | 108.4° | 109.4° |
| C35 | C34 | C39 | 119.6° | 120.1° |
| C34 | C35 | C36 | 120.4° | 120.1° |
| C35 | C34 | H2 | 120.2° | 120.0° |
| C34 | C35 | H6 | 119.8° | 120.0° |
| C34 | C39 | C38 | 119.3° | 120.1° |
| C34 | C39 | H1 | 120.3° | 120.0° |
| C39 | C34 | H2 | 120.2° | 119.9° |
| C35 | C36 | S40 | 118.2° | 120.0° |
| C35 | C36 | C37 | 120.6° | 119.9° |
| C36 | C35 | H6 | 119.8° | 119.9° |
| C44 | N41 | S40 | 113.3° | 120.0° |
| N41 | C44 | H48 | 108.4° | 109.5° |
| N41 | C44 | H49 | 108.5° | 109.5° |
| C44 | N41 | H54 | 108.5° | 120.0° |
| C24 | N19 | C20 | 119.7° | 111.2° |
| C24 | N19 | C16 | 121.1° | 111.0° |
| N19 | C24 | H18 | 108.8° | 109.5° |
| N19 | C24 | H19 | 108.8° | 109.5° |
| O43 | S40 | C36 | 107.1° | 106.4° |
| O43 | S40 | N41 | 109.9° | 106.4° |
| O43 | S40 | O42 | 122.6° | 123.2° |
| C21 | C20 | N19 | 111.0° | 109.5° |
| C20 | C21 | H12 | 108.5° | 109.5° |
| C20 | C21 | H13 | 108.6° | 109.5° |
| C21 | C20 | H16 | 109.1° | 109.5° |
| C21 | C20 | H17 | 109.1° | 109.4° |
| C39 | C38 | C37 | 121.5° | 119.9° |
| C38 | C39 | H1 | 120.3° | 119.9° |
| C39 | C38 | H4 | 119.2° | 120.0° |
| C33 | O32 | C15 | 105.8° | 117.0° |
| O32 | C33 | H41 | 109.5° | 109.5° |
| O32 | C33 | H42 | 109.4° | 109.4° |
| O32 | C33 | H43 | 109.5° | 109.5° |
| O32 | C15 | C16 | 120.9° | 120.0° |
| O32 | C15 | C14 | 117.2° | 120.0° |
| S40 | C36 | C37 | 121.2° | 120.0° |
| C36 | S40 | N41 | 101.1° | 107.2° |
| C36 | S40 | O42 | 108.8° | 106.4° |
| C36 | C37 | C38 | 118.6° | 119.8° |
| C36 | C37 | N51 | 120.1° | 120.1° |
| N41 | S40 | O42 | 105.2° | 106.4° |
| S40 | N41 | H54 | 108.5° | 120.0° |
| C20 | N19 | C16 | 119.2° | 111.0° |
| N19 | C20 | H16 | 109.1° | 109.4° |
| N19 | C20 | H17 | 109.1° | 109.4° |
| N19 | C16 | C15 | 123.3° | 120.0° |
| N19 | C16 | C17 | 116.7° | 120.1° |
| C38 | C37 | N51 | 121.3° | 120.1° |
| C37 | C38 | H4 | 119.3° | 120.0° |
| C37 | N51 | C45 | 126.6° | 120.0° |
| C37 | N51 | H52 | 116.7° | 120.0° |
| C16 | C15 | C14 | 122.0° | 119.9° |
| C15 | C16 | C17 | 120.0° | 119.9° |
| C15 | C14 | C13 | 118.4° | 119.9° |
| C15 | C14 | H9 | 120.8° | 120.1° |
| C16 | C17 | C18 | 117.5° | 120.1° |
| C16 | C17 | H3 | 121.2° | 119.9° |
| C14 | C13 | C18 | 119.5° | 120.1° |
| C14 | C13 | N12 | 121.4° | 119.9° |
| C13 | C14 | H9 | 120.8° | 120.0° |
| N51 | C45 | N48 | 122.5° | 120.5° |
| N51 | C45 | C49 | 116.3° | 120.5° |
| C45 | N51 | H52 | 116.7° | 120.1° |
| C17 | C18 | C13 | 122.5° | 120.1° |
| C18 | C17 | H3 | 121.3° | 120.0° |
| C17 | C18 | H5 | 118.8° | 119.9° |
| C18 | C13 | N12 | 119.1° | 120.0° |
| C13 | C18 | H5 | 118.7° | 120.0° |
| C13 | N12 | C47 | 124.7° | 120.0° |
| C13 | N12 | H53 | 117.6° | 120.0° |
| C45 | N48 | C47 | 117.9° | 120.7° |
| N48 | C45 | C49 | 121.2° | 119.0° |
| N48 | C47 | N12 | 122.0° | 119.2° |
| N48 | C47 | N46 | 124.7° | 121.6° |
| C45 | C49 | C53 | 124.2° | 120.7° |
| C45 | C49 | C50 | 116.5° | 118.5° |
| C11 | O8 | C4 | 105.1° | 117.0° |
| O8 | C11 | H35 | 109.5° | 109.5° |
| O8 | C11 | H36 | 109.5° | 109.4° |
| O8 | C11 | H37 | 109.5° | 109.5° |
| C2 | C1 | C53 | 110.2° | 109.4° |
| C1 | C2 | C3 | 116.3° | 120.0° |
| C1 | C2 | C7 | 123.4° | 120.0° |
| C2 | C1 | H44 | 109.3° | 109.5° |
| C2 | C1 | H45 | 109.3° | 109.5° |
| C1 | C53 | C49 | 112.4° | 109.5° |
| C53 | C1 | H44 | 109.3° | 109.5° |
| C53 | C1 | H45 | 109.3° | 109.5° |
| C1 | C53 | H46 | 108.7° | 109.5° |
| C1 | C53 | H47 | 108.7° | 109.5° |
| N12 | C47 | N46 | 113.4° | 119.2° |
| C47 | N12 | H53 | 117.7° | 120.0° |
| C47 | N46 | C50 | 116.1° | 121.0° |
| C3 | C2 | C7 | 120.4° | 120.1° |
| C2 | C3 | C4 | 119.8° | 120.1° |
| C2 | C3 | H7 | 120.1° | 119.9° |
| C2 | C7 | C6 | 119.1° | 120.1° |
| C2 | C7 | H8 | 120.4° | 120.0° |
| C3 | C4 | O8 | 116.4° | 120.0° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | H7 | 120.1° | 120.0° |
| C7 | C6 | C5 | 120.7° | 119.9° |
| C7 | C6 | O9 | 118.3° | 120.0° |
| C6 | C7 | H8 | 120.4° | 119.9° |
| C10 | O9 | C6 | 109.6° | 117.0° |
| O9 | C10 | H38 | 109.5° | 109.4° |
| O9 | C10 | H39 | 109.5° | 109.4° |
| O9 | C10 | H40 | 109.5° | 109.5° |
| O8 | C4 | C5 | 122.4° | 120.0° |
| C4 | C5 | C6 | 118.8° | 119.9° |
| C4 | C5 | H10 | 120.6° | 120.1° |
| C53 | C49 | C50 | 119.3° | 120.7° |
| C49 | C53 | H46 | 108.7° | 109.5° |
| C49 | C53 | H47 | 108.7° | 109.4° |
| C49 | C50 | N46 | 123.6° | 119.3° |
| C49 | C50 | H11 | 118.2° | 120.3° |
| C5 | C6 | O9 | 121.0° | 120.1° |
| C6 | C5 | H10 | 120.6° | 120.0° |
| N46 | C50 | H11 | 118.2° | 120.4° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.4° | 109.4° |
| H24 | C27 | H25 | 109.4° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H29 | C52 | H30 | 109.5° | 109.5° |
| H29 | C52 | H31 | 109.5° | 109.5° |
| H30 | C52 | H31 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.4° | 109.4° |
| H32 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.4° |
| H35 | C11 | H36 | 109.5° | 109.4° |
| H35 | C11 | H37 | 109.5° | 109.5° |
| H36 | C11 | H37 | 109.4° | 109.5° |
| H38 | C10 | H39 | 109.5° | 109.4° |
| H38 | C10 | H40 | 109.5° | 109.5° |
| H39 | C10 | H40 | 109.4° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H41 | C33 | H43 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.5° | 109.5° |
| H44 | C1 | H45 | 109.5° | 109.5° |
| H46 | C53 | H47 | 109.5° | 109.5° |
| H48 | C44 | H49 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N28 | C29 | C27 | 123.3° | 123.8° |
| C31 | N28 | C29 | C30 | 178.0° | 176.8° |
| C31 | N28 | C27 | C26 | 172.4° | 176.9° |
| C31 | N28 | C27 | H24 | 67.5° | 56.9° |
| C31 | N28 | C27 | H25 | 52.4° | 63.2° |
| C31 | N28 | C29 | H26 | 57.8° | 63.1° |
| C31 | N28 | C29 | H27 | 61.8° | 56.9° |
| N28 | C31 | H32 | H33 | 120.0° | 119.9° |
| N28 | C31 | H32 | H34 | 120.0° | 120.1° |
| N28 | C31 | H33 | H34 | 120.0° | 120.1° |
| N28 | C29 | C30 | H26 | 120.2° | 120.1° |
| N28 | C29 | C30 | H27 | 120.2° | 119.9° |
| N28 | C29 | C30 | N25 | 45.9° | 58.5° |
| C29 | N28 | C27 | C26 | 61.8° | 59.4° |
| N28 | C29 | C30 | H22 | 74.9° | 61.5° |
| N28 | C29 | C30 | H23 | 166.7° | 178.5° |
| C29 | N28 | C27 | H24 | 58.2° | 179.3° |
| C29 | N28 | C27 | H25 | 178.1° | 60.6° |
| N28 | C29 | H26 | H27 | 119.3° | 120.0° |
| C29 | N28 | C31 | H32 | 180.0° | 60.1° |
| C29 | N28 | C31 | H33 | 60.0° | 180.0° |
| C29 | N28 | C31 | H34 | 60.0° | 60.0° |
| C30 | C29 | N28 | C27 | 58.7° | 59.4° |
| C29 | C30 | N25 | H22 | 120.8° | 120.0° |
| C29 | C30 | N25 | H23 | 120.8° | 120.0° |
| C29 | C30 | N25 | C26 | 38.1° | 59.3° |
| C29 | C30 | N25 | C22 | 165.7° | 176.8° |
| C29 | C30 | H22 | H23 | 117.7° | 120.0° |
| C30 | C29 | H26 | H27 | 119.3° | 120.0° |
| N28 | C27 | C26 | H24 | 120.0° | 119.9° |
| N28 | C27 | C26 | H25 | 120.0° | 120.0° |
| N28 | C27 | C26 | N25 | 52.7° | 58.4° |
| N28 | C27 | C26 | H20 | 173.4° | 178.4° |
| N28 | C27 | C26 | H21 | 68.0° | 61.6° |
| N28 | C27 | H24 | H25 | 119.9° | 120.1° |
| C27 | N28 | C29 | H26 | 178.9° | 60.7° |
| C27 | N28 | C29 | H27 | 61.6° | 179.3° |
| C27 | N28 | C31 | H32 | 55.2° | 176.2° |
| C27 | N28 | C31 | H33 | 64.8° | 56.3° |
| C27 | N28 | C31 | H34 | 175.2° | 63.7° |
| C30 | N25 | C26 | C27 | 41.7° | 59.4° |
| C30 | N25 | C26 | C22 | 127.4° | 123.9° |
| C30 | N25 | C22 | C23 | 90.1° | 66.2° |
| C30 | N25 | C22 | C21 | 136.8° | 53.5° |
| C30 | N25 | C26 | H20 | 162.3° | 179.3° |
| C30 | N25 | C26 | H21 | 79.0° | 60.7° |
| N25 | C30 | H22 | H23 | 117.7° | 120.1° |
| N25 | C30 | C29 | H26 | 166.1° | 61.6° |
| N25 | C30 | C29 | H27 | 74.4° | 178.4° |
| C30 | N25 | C22 | H28 | 23.3° | 173.6° |
| C27 | C26 | N25 | H20 | 120.7° | 119.9° |
| C27 | C26 | N25 | H21 | 120.7° | 120.0° |
| C27 | C26 | N25 | C22 | 169.0° | 176.8° |
| C27 | C26 | H20 | H21 | 117.9° | 120.0° |
| C26 | C27 | H24 | H25 | 119.9° | 120.1° |
| C26 | N25 | C22 | C23 | 39.5° | 170.0° |
| C26 | N25 | C22 | C21 | 93.6° | 70.3° |
| N25 | C26 | H20 | H21 | 117.9° | 120.1° |
| C26 | N25 | C30 | H22 | 82.6° | 60.7° |
| C26 | N25 | C30 | H23 | 158.9° | 179.3° |
| N25 | C26 | C27 | H24 | 67.3° | 178.4° |
| N25 | C26 | C27 | H25 | 172.8° | 61.5° |
| C26 | N25 | C22 | H28 | 152.9° | 49.9° |
| N25 | C22 | C23 | C21 | 133.4° | 119.9° |
| N25 | C22 | C23 | H28 | 113.5° | 120.2° |
| N25 | C22 | C23 | C24 | 171.5° | 177.5° |
| N25 | C22 | C21 | H28 | 113.7° | 120.2° |
| N25 | C22 | C21 | C20 | 118.5° | 177.6° |
| N25 | C22 | C21 | H12 | 121.0° | 57.6° |
| N25 | C22 | C21 | H13 | 2.1° | 62.5° |
| N25 | C22 | C23 | H14 | 51.2° | 62.5° |
| N25 | C22 | C23 | H15 | 68.3° | 57.6° |
| C22 | N25 | C26 | H20 | 70.3° | 56.8° |
| C22 | N25 | C26 | H21 | 48.3° | 63.2° |
| C22 | N25 | C30 | H22 | 44.9° | 63.2° |
| C22 | N25 | C30 | H23 | 73.5° | 56.8° |
| C22 | C23 | C24 | H14 | 120.3° | 119.9° |
| C22 | C23 | C24 | H15 | 120.3° | 120.0° |
| C23 | C22 | C21 | H28 | 113.1° | 119.9° |
| C22 | C23 | C24 | N19 | 55.5° | 59.2° |
| C23 | C22 | C21 | C20 | 14.7° | 57.7° |
| C23 | C22 | C21 | H12 | 105.8° | 62.3° |
| C23 | C22 | C21 | H13 | 135.3° | 177.6° |
| C22 | C23 | H14 | H15 | 119.1° | 120.2° |
| C22 | C23 | C24 | H18 | 175.9° | 179.2° |
| C22 | C23 | C24 | H19 | 64.8° | 60.9° |
| C24 | C23 | C22 | C21 | 38.1° | 57.7° |
| C23 | C24 | N19 | H18 | 120.4° | 120.1° |
| C23 | C24 | N19 | H19 | 120.4° | 120.0° |
| C23 | C24 | N19 | C20 | 17.1° | 61.7° |
| C23 | C24 | N19 | C16 | 161.3° | 174.2° |
| C24 | C23 | H14 | H15 | 119.1° | 120.0° |
| C23 | C24 | H18 | H19 | 118.9° | 119.9° |
| C24 | C23 | C22 | H28 | 75.0° | 62.2° |
| C22 | C21 | C20 | H12 | 120.5° | 119.9° |
| C22 | C21 | C20 | H13 | 120.5° | 120.0° |
| C22 | C21 | C20 | N19 | 52.5° | 59.2° |
| C22 | C21 | H12 | H13 | 118.3° | 120.1° |
| C21 | C22 | C23 | H14 | 82.2° | 177.6° |
| C21 | C22 | C23 | H15 | 158.4° | 62.3° |
| C22 | C21 | C20 | H16 | 172.7° | 60.8° |
| C22 | C21 | C20 | H17 | 67.8° | 179.2° |
| C52 | C44 | N41 | H48 | 120.6° | 120.0° |
| C52 | C44 | N41 | H49 | 120.6° | 120.0° |
| C52 | C44 | N41 | S40 | 118.5° | 163.3° |
| C44 | C52 | H29 | H30 | 120.0° | 119.9° |
| C44 | C52 | H29 | H31 | 120.0° | 120.0° |
| C44 | C52 | H30 | H31 | 120.0° | 120.0° |
| C52 | C44 | H48 | H49 | 118.1° | 119.9° |
| C52 | C44 | N41 | H54 | 120.9° | 16.7° |
| C35 | C34 | C39 | H2 | 180.0° | 179.9° |
| C34 | C35 | C36 | H6 | 180.0° | 179.9° |
| C35 | C34 | C39 | C38 | 1.1° | 0.0° |
| C34 | C35 | C36 | S40 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.4° | 0.3° |
| C35 | C34 | C39 | H1 | 178.9° | 179.7° |
| C39 | C34 | C35 | C36 | 0.2° | 0.0° |
| C34 | C39 | C38 | H1 | 180.0° | 179.7° |
| C34 | C39 | C38 | C37 | 1.5° | 0.3° |
| C34 | C39 | C38 | H4 | 178.5° | 179.6° |
| C39 | C34 | C35 | H6 | 179.8° | 179.9° |
| C35 | C36 | S40 | O43 | 31.2° | 3.1° |
| C35 | C36 | S40 | C37 | 179.6° | 179.7° |
| C35 | C36 | S40 | N41 | 83.8° | 110.5° |
| C35 | C36 | S40 | O42 | 165.7° | 136.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.6° |
| C35 | C36 | C37 | N51 | 178.5° | 180.0° |
| C36 | C35 | C34 | H2 | 179.9° | 179.9° |
| C44 | N41 | S40 | O43 | 15.7° | 179.8° |
| C44 | N41 | S40 | C36 | 97.2° | 66.3° |
| C44 | N41 | S40 | H54 | 120.6° | 180.0° |
| C44 | N41 | S40 | O42 | 149.6° | 47.3° |
| N41 | C44 | C52 | H29 | 180.0° | 175.0° |
| N41 | C44 | C52 | H30 | 60.0° | 55.0° |
| N41 | C44 | C52 | H31 | 60.0° | 65.0° |
| N41 | C44 | H48 | H49 | 118.1° | 120.1° |
| C24 | N19 | C20 | C21 | 36.5° | 61.8° |
| C24 | N19 | C20 | C16 | 178.5° | 124.1° |
| C24 | N19 | C16 | C15 | 2.7° | 120.0° |
| C24 | N19 | C16 | C17 | 177.4° | 60.0° |
| N19 | C24 | C23 | H14 | 64.7° | 179.1° |
| N19 | C24 | C23 | H15 | 175.8° | 60.8° |
| C24 | N19 | C20 | H16 | 156.7° | 58.3° |
| C24 | N19 | C20 | H17 | 83.8° | 178.3° |
| N19 | C24 | H18 | H19 | 118.9° | 120.0° |
| O43 | S40 | C36 | N41 | 115.1° | 113.5° |
| O43 | S40 | C36 | O42 | 134.4° | 132.9° |
| O43 | S40 | C36 | C37 | 148.4° | 176.6° |
| O43 | S40 | N41 | O42 | 133.9° | 132.9° |
| O43 | S40 | N41 | H54 | 104.9° | 0.2° |
| C21 | C20 | N19 | H16 | 120.2° | 120.1° |
| C21 | C20 | N19 | H17 | 120.2° | 120.0° |
| C21 | C20 | N19 | C16 | 145.1° | 174.1° |
| C20 | C21 | H12 | H13 | 118.3° | 120.1° |
| C21 | C20 | H16 | H17 | 119.3° | 120.0° |
| C20 | C21 | C22 | H28 | 127.8° | 62.2° |
| C39 | C38 | C37 | C36 | 0.9° | 0.6° |
| C39 | C38 | C37 | H4 | 180.0° | 179.9° |
| C39 | C38 | C37 | N51 | 179.4° | 180.0° |
| C38 | C39 | C34 | H2 | 178.9° | 180.0° |
| C33 | O32 | C15 | C16 | 122.0° | 179.9° |
| C33 | O32 | C15 | C14 | 57.8° | 0.5° |
| O32 | C33 | H41 | H42 | 120.0° | 120.0° |
| O32 | C33 | H41 | H43 | 120.0° | 120.0° |
| O32 | C33 | H42 | H43 | 120.0° | 120.0° |
| O32 | C15 | C16 | N19 | 0.5° | 0.0° |
| O32 | C15 | C16 | C14 | 179.8° | 179.5° |
| O32 | C15 | C16 | C17 | 179.4° | 180.0° |
| O32 | C15 | C14 | C13 | 179.9° | 179.7° |
| O32 | C15 | C14 | H9 | 0.1° | 0.2° |
| C15 | O32 | C33 | H41 | 180.0° | 180.0° |
| C15 | O32 | C33 | H42 | 60.0° | 60.0° |
| C15 | O32 | C33 | H43 | 60.0° | 60.0° |
| C36 | S40 | N41 | O42 | 113.2° | 113.6° |
| S40 | C36 | C37 | C38 | 179.7° | 179.8° |
| S40 | C36 | C37 | N51 | 1.1° | 0.4° |
| S40 | C36 | C35 | H6 | 0.0° | 0.0° |
| C36 | S40 | N41 | H54 | 142.2° | 113.7° |
| C37 | C36 | S40 | N41 | 96.6° | 69.9° |
| C37 | C36 | S40 | O42 | 14.0° | 43.7° |
| C36 | C37 | C38 | N51 | 178.5° | 179.4° |
| C36 | C37 | N51 | C45 | 157.4° | 83.4° |
| C36 | C37 | C38 | H4 | 179.1° | 179.4° |
| C37 | C36 | C35 | H6 | 179.6° | 179.6° |
| C36 | C37 | N51 | H52 | 22.6° | 96.6° |
| S40 | N41 | C44 | H48 | 2.1° | 43.3° |
| S40 | N41 | C44 | H49 | 120.8° | 76.8° |
| C20 | N19 | C16 | C15 | 178.9° | 115.8° |
| C20 | N19 | C16 | C17 | 1.1° | 64.2° |
| N19 | C20 | C21 | H12 | 68.1° | 60.7° |
| N19 | C20 | C21 | H13 | 173.0° | 179.2° |
| N19 | C20 | H16 | H17 | 119.3° | 119.9° |
| C20 | N19 | C24 | H18 | 137.5° | 178.2° |
| C20 | N19 | C24 | H19 | 103.2° | 58.3° |
| N19 | C16 | C15 | C17 | 179.9° | 180.0° |
| N19 | C16 | C15 | C14 | 179.7° | 179.5° |
| N19 | C16 | C17 | C18 | 179.3° | 180.0° |
| N19 | C16 | C17 | H3 | 0.7° | 0.2° |
| C16 | N19 | C20 | H16 | 24.9° | 65.8° |
| C16 | N19 | C20 | H17 | 94.7° | 54.1° |
| C16 | N19 | C24 | H18 | 40.9° | 54.1° |
| C16 | N19 | C24 | H19 | 78.4° | 65.8° |
| O42 | S40 | N41 | H54 | 29.0° | 132.7° |
| C38 | C37 | N51 | C45 | 24.1° | 97.2° |
| C37 | C38 | C39 | H1 | 178.5° | 180.0° |
| C38 | C37 | N51 | H52 | 155.9° | 82.8° |
| C37 | N51 | C45 | H52 | 180.0° | 180.0° |
| C37 | N51 | C45 | N48 | 2.1° | 2.6° |
| C37 | N51 | C45 | C49 | 178.1° | 177.4° |
| N51 | C37 | C38 | H4 | 0.6° | 0.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.8° |
| C15 | C16 | C17 | C18 | 0.8° | 0.0° |
| C15 | C16 | C17 | H3 | 179.3° | 179.8° |
| C16 | C15 | C14 | H9 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 0.4° | 0.5° |
| C15 | C14 | C13 | H9 | 180.0° | 179.5° |
| C15 | C14 | C13 | C18 | 0.2° | 0.5° |
| C15 | C14 | C13 | N12 | 179.7° | 180.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.8° |
| C16 | C17 | C18 | C13 | 0.7° | 0.3° |
| C16 | C17 | C18 | H5 | 179.3° | 179.7° |
| C14 | C13 | C18 | C17 | 0.2° | 0.0° |
| C14 | C13 | C18 | N12 | 179.9° | 179.5° |
| C14 | C13 | N12 | C47 | 22.7° | 146.3° |
| C14 | C13 | C18 | H5 | 179.8° | 180.0° |
| C14 | C13 | N12 | H53 | 157.3° | 33.6° |
| N51 | C45 | N48 | C49 | 179.8° | 180.0° |
| N51 | C45 | N48 | C47 | 179.6° | 179.7° |
| N51 | C45 | C49 | C53 | 1.3° | 0.0° |
| N51 | C45 | C49 | C50 | 179.8° | 180.0° |
| C17 | C18 | C13 | H5 | 180.0° | 180.0° |
| C17 | C18 | C13 | N12 | 179.9° | 179.4° |
| C18 | C13 | N12 | C47 | 157.2° | 34.2° |
| C13 | C18 | C17 | H3 | 179.3° | 180.0° |
| C18 | C13 | C14 | H9 | 179.8° | 180.0° |
| C18 | C13 | N12 | H53 | 22.7° | 145.8° |
| C13 | N12 | C47 | N48 | 1.4° | 175.8° |
| C13 | N12 | C47 | H53 | 180.0° | 179.9° |
| C13 | N12 | C47 | N46 | 179.6° | 4.1° |
| N12 | C13 | C18 | H5 | 0.1° | 0.5° |
| N12 | C13 | C14 | H9 | 0.3° | 0.5° |
| C45 | N48 | C47 | N12 | 179.6° | 179.7° |
| C45 | N48 | C47 | N46 | 0.7° | 0.4° |
| N48 | C45 | C49 | C53 | 178.8° | 180.0° |
| N48 | C45 | C49 | C50 | 0.4° | 0.0° |
| N48 | C45 | N51 | H52 | 177.9° | 177.4° |
| C47 | N48 | C45 | C49 | 0.6° | 0.3° |
| N48 | C47 | N12 | N46 | 179.0° | 179.9° |
| N48 | C47 | N46 | C50 | 0.6° | 0.1° |
| N48 | C47 | N12 | H53 | 178.6° | 4.3° |
| C45 | C49 | C53 | C1 | 79.8° | 85.9° |
| C45 | C49 | C53 | C50 | 178.4° | 180.0° |
| C45 | C49 | C50 | N46 | 0.3° | 0.2° |
| C45 | C49 | C50 | H11 | 179.7° | 180.0° |
| C45 | C49 | C53 | H46 | 40.6° | 154.1° |
| C45 | C49 | C53 | H47 | 159.7° | 34.1° |
| C49 | C45 | N51 | H52 | 2.0° | 2.6° |
| C11 | O8 | C4 | C3 | 168.1° | 180.0° |
| C11 | O8 | C4 | C5 | 12.6° | 0.0° |
| O8 | C11 | H35 | H36 | 120.0° | 119.9° |
| O8 | C11 | H35 | H37 | 120.0° | 120.0° |
| O8 | C11 | H36 | H37 | 120.0° | 120.0° |
| C2 | C1 | C53 | H44 | 120.1° | 120.0° |
| C2 | C1 | C53 | H45 | 120.1° | 120.0° |
| C1 | C2 | C3 | C7 | 179.1° | 179.9° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C1 | C2 | C7 | C6 | 179.6° | 180.0° |
| C2 | C1 | C53 | C49 | 175.0° | 175.1° |
| C1 | C2 | C3 | H7 | 0.4° | 0.3° |
| C1 | C2 | C7 | H8 | 0.4° | 0.3° |
| C2 | C1 | H44 | H45 | 119.6° | 120.0° |
| C2 | C1 | C53 | H46 | 54.6° | 64.9° |
| C2 | C1 | C53 | H47 | 64.6° | 55.1° |
| C53 | C1 | C2 | C3 | 165.1° | 85.1° |
| C53 | C1 | C2 | C7 | 14.0° | 94.9° |
| C1 | C53 | C49 | H46 | 120.4° | 120.0° |
| C1 | C53 | C49 | H47 | 120.4° | 120.0° |
| C1 | C53 | C49 | C50 | 101.8° | 94.1° |
| C53 | C1 | H44 | H45 | 119.7° | 120.0° |
| C1 | C53 | H46 | H47 | 118.7° | 120.0° |
| N12 | C47 | N46 | C50 | 179.6° | 180.0° |
| C47 | N46 | C50 | C49 | 0.4° | 0.2° |
| C47 | N46 | C50 | H11 | 179.6° | 179.9° |
| N46 | C47 | N12 | H53 | 0.4° | 175.8° |
| C2 | C3 | C4 | H7 | 180.0° | 179.7° |
| C3 | C2 | C7 | C6 | 0.6° | 0.1° |
| C2 | C3 | C4 | O8 | 179.5° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C3 | C2 | C7 | H8 | 179.4° | 179.8° |
| C3 | C2 | C1 | H44 | 45.0° | 154.9° |
| C3 | C2 | C1 | H45 | 74.8° | 34.8° |
| C7 | C2 | C3 | C4 | 0.5° | 0.1° |
| C2 | C7 | C6 | H8 | 180.0° | 179.8° |
| C2 | C7 | C6 | C5 | 0.4° | 0.3° |
| C2 | C7 | C6 | O9 | 179.6° | 179.7° |
| C7 | C2 | C3 | H7 | 179.5° | 179.8° |
| C7 | C2 | C1 | H44 | 134.1° | 25.1° |
| C7 | C2 | C1 | H45 | 106.1° | 145.1° |
| C3 | C4 | O8 | C5 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.6° |
| C3 | C4 | C5 | H10 | 180.0° | 180.0° |
| C7 | C6 | O9 | C10 | 170.5° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.6° |
| C7 | C6 | C5 | O9 | 179.2° | 180.0° |
| C7 | C6 | C5 | H10 | 179.9° | 180.0° |
| C10 | O9 | C6 | C5 | 10.3° | 0.0° |
| O9 | C10 | H38 | H39 | 120.0° | 119.9° |
| O9 | C10 | H38 | H40 | 120.0° | 120.1° |
| O9 | C10 | H39 | H40 | 120.0° | 120.1° |
| O8 | C4 | C5 | C6 | 179.2° | 179.5° |
| O8 | C4 | C3 | H7 | 0.5° | 0.0° |
| O8 | C4 | C5 | H10 | 0.8° | 0.0° |
| C4 | O8 | C11 | H35 | 180.0° | 60.0° |
| C4 | O8 | C11 | H36 | 60.0° | 59.9° |
| C4 | O8 | C11 | H37 | 60.0° | 179.9° |
| C4 | C5 | C6 | H10 | 180.0° | 179.4° |
| C4 | C5 | C6 | O9 | 179.3° | 179.5° |
| C5 | C4 | C3 | H7 | 179.8° | 180.0° |
| C53 | C49 | C50 | N46 | 178.8° | 179.8° |
| C53 | C49 | C50 | H11 | 1.2° | 0.0° |
| C49 | C53 | C1 | H44 | 64.9° | 64.9° |
| C49 | C53 | C1 | H45 | 54.9° | 55.1° |
| C49 | C53 | H46 | H47 | 118.6° | 120.0° |
| C49 | C50 | N46 | H11 | 180.0° | 179.7° |
| C50 | C49 | C53 | H46 | 137.8° | 25.9° |
| C50 | C49 | C53 | H47 | 18.6° | 145.9° |
| C5 | C6 | C7 | H8 | 179.6° | 179.9° |
| O9 | C6 | C7 | H8 | 0.4° | 0.0° |
| O9 | C6 | C5 | H10 | 0.7° | 0.1° |
| C6 | O9 | C10 | H38 | 180.0° | 60.0° |
| C6 | O9 | C10 | H39 | 60.0° | 60.0° |
| C6 | O9 | C10 | H40 | 60.0° | 180.0° |
| H1 | C39 | C34 | H2 | 1.1° | 0.4° |
| H1 | C39 | C38 | H4 | 1.5° | 0.0° |
| H2 | C34 | C35 | H6 | 0.1° | 0.0° |
| H3 | C17 | C18 | H5 | 0.7° | 0.0° |
| H12 | C21 | C20 | H16 | 52.1° | 179.2° |
| H12 | C21 | C20 | H17 | 171.7° | 59.3° |
| H12 | C21 | C22 | H28 | 7.3° | 177.9° |
| H13 | C21 | C20 | H16 | 66.8° | 59.1° |
| H13 | C21 | C20 | H17 | 52.7° | 60.9° |
| H13 | C21 | C22 | H28 | 111.6° | 57.7° |
| H14 | C23 | C24 | H18 | 55.6° | 60.8° |
| H14 | C23 | C24 | H19 | 174.9° | 59.1° |
| H14 | C23 | C22 | H28 | 164.7° | 57.7° |
| H15 | C23 | C24 | H18 | 63.9° | 59.2° |
| H15 | C23 | C24 | H19 | 55.4° | 179.1° |
| H15 | C23 | C22 | H28 | 45.3° | 177.8° |
| H20 | C26 | C27 | H24 | 53.4° | 61.7° |
| H20 | C26 | C27 | H25 | 66.6° | 58.4° |
| H21 | C26 | C27 | H24 | 172.0° | 58.3° |
| H21 | C26 | C27 | H25 | 52.1° | 178.4° |
| H22 | C30 | C29 | H26 | 45.3° | 178.4° |
| H22 | C30 | C29 | H27 | 164.9° | 58.4° |
| H23 | C30 | C29 | H26 | 73.1° | 58.4° |
| H23 | C30 | C29 | H27 | 46.4° | 61.6° |
| H29 | C52 | H30 | H31 | 120.0° | 120.0° |
| H29 | C52 | C44 | H48 | 59.4° | 55.0° |
| H29 | C52 | C44 | H49 | 59.3° | 65.0° |
| H30 | C52 | C44 | H48 | 60.6° | 65.0° |
| H30 | C52 | C44 | H49 | 179.4° | 175.0° |
| H31 | C52 | C44 | H48 | 179.4° | 175.0° |
| H31 | C52 | C44 | H49 | 60.6° | 55.1° |
| H32 | C31 | H33 | H34 | 120.0° | 119.9° |
| H35 | C11 | H36 | H37 | 120.0° | 120.0° |
| H38 | C10 | H39 | H40 | 120.0° | 120.0° |
| H41 | C33 | H42 | H43 | 120.0° | 120.0° |
| H44 | C1 | C53 | H46 | 174.7° | 55.1° |
| H44 | C1 | C53 | H47 | 55.5° | 175.1° |
| H45 | C1 | C53 | H46 | 65.5° | 175.1° |
| H45 | C1 | C53 | H47 | 175.3° | 64.9° |
| H48 | C44 | N41 | H54 | 118.5° | 136.7° |
| H49 | C44 | N41 | H54 | 0.3° | 103.2° |
