T17
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C38 | O32 | sing | 1.43Å | 1.43Å | |
| O29 | C26 | doub | 1.15Å | 1.22Å | |
| O20 | C15 | doub | 1.21Å | 1.22Å | |
| C55 | C50 | sing | 1.53Å | 1.52Å | |
| C25 | C21 | sing | 1.49Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| O32 | C11 | sing | 1.44Å | 1.43Å | |
| C28 | C17 | sing | 1.53Å | 1.57Å | |
| C28 | N6 | sing | 1.51Å | 1.26Å | |
| C14 | C8 | sing | 1.53Å | 1.51Å | |
| C33 | C11 | sing | 1.47Å | 1.52Å | |
| C17 | C83 | sing | 1.53Å | 1.55Å | |
| C26 | C21 | sing | 1.52Å | 1.51Å | |
| C26 | C30 | sing | 1.53Å | 1.50Å | |
| C50 | O45 | sing | 1.43Å | 1.43Å | |
| C50 | C54 | sing | 1.53Å | 1.53Å | |
| C15 | C21 | sing | 1.57Å | 1.50Å | |
| C15 | O9 | sing | 1.34Å | 1.45Å | |
| C83 | N80 | sing | 1.47Å | 1.47Å | |
| C11 | C34 | sing | 1.53Å | 1.52Å | |
| C11 | C24 | sing | 1.52Å | 1.53Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| O18 | C13 | doub | 1.22Å | 1.22Å | |
| O45 | C42 | sing | 1.43Å | 1.42Å | |
| N6 | C3 | sing | 1.47Å | 1.47Å | |
| N6 | C10 | sing | 1.35Å | 1.33Å | |
| C34 | C30 | sing | 1.54Å | 1.54Å | |
| C34 | O39 | sing | 1.44Å | 1.43Å | |
| C4 | C8 | sing | 1.52Å | 1.52Å | |
| C4 | O9 | sing | 1.44Å | 1.42Å | |
| C4 | C2 | sing | 1.45Å | 1.52Å | |
| N | C93 | sing | 1.35Å | 1.44Å | |
| N80 | C79 | sing | 1.35Å | 1.43Å | Aromatic |
| N80 | N81 | sing | 1.29Å | 1.37Å | Aromatic |
| O16 | C10 | doub | 1.23Å | 1.22Å | |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | C7 | sing | 1.51Å | 1.55Å | |
| C79 | C78 | doub | 1.35Å | 1.42Å | Aromatic |
| C10 | O5 | sing | 1.34Å | 1.45Å | |
| C30 | C35 | sing | 1.45Å | 1.53Å | |
| C54 | C49 | sing | 1.53Å | 1.53Å | |
| C42 | O39 | sing | 1.43Å | 1.43Å | |
| C42 | C44 | sing | 1.53Å | 1.51Å | |
| C13 | C19 | sing | 1.56Å | 1.50Å | |
| C13 | C7 | sing | 1.41Å | 1.51Å | |
| C24 | C19 | sing | 1.51Å | 1.52Å | |
| C2 | O5 | sing | 1.53Å | 1.43Å | |
| C2 | C1 | sing | 1.54Å | 1.52Å | |
| C19 | C23 | sing | 1.50Å | 1.52Å | |
| C7 | C12 | sing | 1.54Å | 1.53Å | |
| N81 | N82 | doub | 1.29Å | 1.36Å | Aromatic |
| C93 | O93 | doub | 1.21Å | 1.22Å | |
| C93 | C92 | sing | 1.51Å | 1.54Å | |
| C49 | C44 | sing | 1.53Å | 1.53Å | |
| C49 | N53 | sing | 1.47Å | 1.47Å | |
| C78 | N82 | sing | 1.34Å | 1.37Å | Aromatic |
| C78 | C90 | sing | 1.51Å | 1.55Å | |
| C44 | O48 | sing | 1.43Å | 1.44Å | |
| C91 | C92 | sing | 1.53Å | 1.54Å | |
| C91 | C90 | sing | 1.53Å | 1.54Å | |
| C57 | N53 | sing | 1.47Å | 1.47Å | |
| N53 | C58 | sing | 1.47Å | 1.46Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.13Å | 1.10Å | |
| C4 | H5 | sing | 1.14Å | 1.10Å | |
| C7 | H6 | sing | 1.12Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.21Å | 1.10Å | |
| C21 | H16 | sing | 1.06Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.05Å | 1.10Å | |
| C24 | H21 | sing | 1.07Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.12Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| O48 | H38 | sing | 0.97Å | 0.95Å | |
| C49 | H39 | sing | 1.09Å | 1.10Å | |
| C50 | H40 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C54 | H43 | sing | 1.09Å | 1.10Å | |
| C55 | H44 | sing | 1.09Å | 1.10Å | |
| C55 | H45 | sing | 1.09Å | 1.10Å | |
| C55 | H46 | sing | 1.09Å | 1.10Å | |
| C57 | H47 | sing | 1.09Å | 1.10Å | |
| C57 | H48 | sing | 1.09Å | 1.10Å | |
| C57 | H49 | sing | 1.09Å | 1.10Å | |
| C58 | H50 | sing | 1.09Å | 1.10Å | |
| C58 | H51 | sing | 1.09Å | 1.10Å | |
| C58 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H55 | sing | 1.09Å | 1.10Å | |
| C17 | H56 | sing | 1.09Å | 1.10Å | |
| C83 | H57 | sing | 1.09Å | 1.10Å | |
| C83 | H58 | sing | 1.09Å | 1.10Å | |
| C79 | H62 | sing | 1.08Å | 1.08Å | |
| C92 | H64 | sing | 1.09Å | 1.10Å | |
| C92 | H65 | sing | 1.09Å | 1.10Å | |
| C91 | H66 | sing | 1.09Å | 1.10Å | |
| C91 | H67 | sing | 1.09Å | 1.10Å | |
| C90 | H68 | sing | 1.09Å | 1.10Å | |
| C90 | H69 | sing | 1.09Å | 1.10Å | |
| N | H70 | sing | 0.97Å | 1.00Å | |
| CA | H71 | sing | 1.09Å | 1.10Å | |
| CA | H72 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.3° | 120.0° |
| O | C | OXT | 123.9° | 120.0° |
| C38 | O32 | C11 | 121.4° | 114.0° |
| O32 | C38 | H33 | 109.5° | 109.5° |
| O32 | C38 | H34 | 109.5° | 109.5° |
| O32 | C38 | H35 | 109.5° | 109.5° |
| O29 | C26 | C21 | 120.3° | 118.0° |
| O29 | C26 | C30 | 120.0° | 123.5° |
| O20 | C15 | C21 | 120.9° | 118.5° |
| O20 | C15 | O9 | 119.3° | 123.0° |
| C55 | C50 | O45 | 109.1° | 109.5° |
| C55 | C50 | C54 | 112.1° | 109.5° |
| C55 | C50 | H40 | 108.2° | 109.5° |
| C50 | C55 | H44 | 109.5° | 109.4° |
| C50 | C55 | H45 | 109.4° | 109.5° |
| C50 | C55 | H46 | 109.5° | 109.5° |
| C25 | C21 | C26 | 109.5° | 111.7° |
| C25 | C21 | C15 | 109.7° | 108.5° |
| C25 | C21 | H16 | 109.6° | 106.5° |
| C21 | C25 | H22 | 109.5° | 109.4° |
| C21 | C25 | H23 | 109.5° | 109.4° |
| C21 | C25 | H24 | 109.4° | 109.5° |
| C | CA | N | 112.4° | 109.5° |
| CA | C | OXT | 115.7° | 120.0° |
| C | CA | H71 | 108.7° | 109.5° |
| C | CA | H72 | 108.7° | 109.5° |
| O32 | C11 | C33 | 108.4° | 108.1° |
| O32 | C11 | C34 | 110.1° | 110.3° |
| O32 | C11 | C24 | 111.0° | 105.0° |
| C17 | C28 | N6 | 111.8° | 109.4° |
| C28 | C17 | C83 | 114.7° | 109.4° |
| C17 | C28 | H53 | 108.9° | 109.5° |
| C17 | C28 | H54 | 108.9° | 109.5° |
| C28 | C17 | H55 | 108.2° | 109.5° |
| C28 | C17 | H56 | 108.1° | 109.5° |
| C28 | N6 | C3 | 125.4° | 127.8° |
| C28 | N6 | C10 | 121.3° | 123.2° |
| N6 | C28 | H53 | 108.9° | 109.4° |
| N6 | C28 | H54 | 108.9° | 109.5° |
| C14 | C8 | C4 | 110.7° | 109.4° |
| C14 | C8 | H7 | 109.1° | 109.5° |
| C14 | C8 | H8 | 109.2° | 109.5° |
| C8 | C14 | H12 | 109.5° | 109.5° |
| C8 | C14 | H13 | 109.5° | 109.5° |
| C8 | C14 | H14 | 109.5° | 109.4° |
| C33 | C11 | C34 | 110.2° | 110.2° |
| C33 | C11 | C24 | 110.9° | 113.2° |
| C11 | C33 | H26 | 109.5° | 109.5° |
| C11 | C33 | H27 | 109.5° | 109.5° |
| C11 | C33 | H28 | 109.4° | 109.5° |
| C17 | C83 | N80 | 112.2° | 109.5° |
| C83 | C17 | H55 | 108.1° | 109.4° |
| C83 | C17 | H56 | 108.2° | 109.5° |
| C17 | C83 | H57 | 108.8° | 109.5° |
| C17 | C83 | H58 | 108.8° | 109.5° |
| C21 | C26 | C30 | 119.7° | 118.5° |
| C26 | C21 | C15 | 108.0° | 108.2° |
| C26 | C21 | H16 | 109.9° | 114.7° |
| C26 | C30 | C34 | 110.3° | 107.9° |
| C26 | C30 | C35 | 108.9° | 107.7° |
| C26 | C30 | H25 | 108.2° | 108.3° |
| O45 | C50 | C54 | 109.9° | 109.4° |
| C50 | O45 | C42 | 109.4° | 114.1° |
| O45 | C50 | H40 | 109.4° | 109.4° |
| C50 | C54 | C49 | 112.3° | 109.2° |
| C54 | C50 | H40 | 108.1° | 109.5° |
| C50 | C54 | H42 | 108.8° | 109.5° |
| C50 | C54 | H43 | 108.8° | 109.5° |
| C21 | C15 | O9 | 119.7° | 118.3° |
| C15 | C21 | H16 | 110.0° | 107.0° |
| C15 | O9 | C4 | 110.5° | 119.5° |
| C83 | N80 | C79 | 126.6° | 125.9° |
| C83 | N80 | N81 | 123.9° | 125.8° |
| N80 | C83 | H57 | 108.8° | 109.4° |
| N80 | C83 | H58 | 108.8° | 109.5° |
| C34 | C11 | C24 | 106.3° | 110.0° |
| C11 | C34 | C30 | 111.7° | 110.0° |
| C11 | C34 | O39 | 105.8° | 108.8° |
| C11 | C34 | H29 | 109.0° | 106.9° |
| C11 | C24 | C19 | 114.3° | 116.5° |
| C11 | C24 | H20 | 108.2° | 110.7° |
| C11 | C24 | H21 | 108.3° | 107.3° |
| CA | N | C93 | 117.6° | 120.0° |
| CA | N | H70 | 121.2° | 120.0° |
| N | CA | H71 | 108.8° | 109.5° |
| N | CA | H72 | 108.7° | 109.5° |
| O18 | C13 | C19 | 118.4° | 118.0° |
| O18 | C13 | C7 | 122.2° | 117.4° |
| O45 | C42 | O39 | 112.5° | 109.5° |
| O45 | C42 | C44 | 107.4° | 109.4° |
| O45 | C42 | H36 | 109.8° | 109.5° |
| C3 | N6 | C10 | 111.4° | 109.0° |
| N6 | C3 | C2 | 103.0° | 102.9° |
| N6 | C3 | C7 | 112.1° | 114.7° |
| N6 | C3 | H4 | 110.6° | 105.3° |
| N6 | C10 | O16 | 128.3° | 124.7° |
| N6 | C10 | O5 | 109.2° | 112.3° |
| C30 | C34 | O39 | 111.1° | 109.3° |
| C34 | C30 | C35 | 113.6° | 113.1° |
| C34 | C30 | H25 | 107.8° | 109.3° |
| C30 | C34 | H29 | 108.8° | 114.4° |
| C34 | O39 | C42 | 114.6° | 114.0° |
| O39 | C34 | H29 | 110.4° | 107.3° |
| C8 | C4 | O9 | 108.2° | 110.5° |
| C8 | C4 | C2 | 111.3° | 111.2° |
| C8 | C4 | H5 | 108.7° | 108.1° |
| C4 | C8 | H7 | 109.2° | 109.5° |
| C4 | C8 | H8 | 109.1° | 109.5° |
| O9 | C4 | C2 | 110.0° | 110.4° |
| O9 | C4 | H5 | 110.0° | 107.5° |
| C4 | C2 | C3 | 111.2° | 114.1° |
| C4 | C2 | O5 | 107.0° | 111.1° |
| C4 | C2 | C1 | 109.2° | 109.8° |
| C2 | C4 | H5 | 108.6° | 109.1° |
| N | C93 | O93 | 119.7° | 120.0° |
| N | C93 | C92 | 119.9° | 120.0° |
| C93 | N | H70 | 121.2° | 120.0° |
| C79 | N80 | N81 | 104.6° | 108.3° |
| N80 | C79 | C78 | 105.7° | 106.2° |
| N80 | C79 | H62 | 127.1° | 126.9° |
| N80 | N81 | N82 | 108.4° | 110.2° |
| O16 | C10 | O5 | 122.5° | 122.9° |
| C2 | C3 | C7 | 112.0° | 121.2° |
| C3 | C2 | O5 | 103.8° | 101.2° |
| C3 | C2 | C1 | 115.0° | 113.1° |
| C2 | C3 | H4 | 109.5° | 105.7° |
| C3 | C7 | C13 | 112.7° | 111.2° |
| C3 | C7 | C12 | 115.3° | 108.3° |
| C7 | C3 | H4 | 109.5° | 105.7° |
| C3 | C7 | H6 | 105.9° | 111.8° |
| C79 | C78 | N82 | 106.8° | 106.5° |
| C79 | C78 | C90 | 130.0° | 126.8° |
| C78 | C79 | H62 | 127.1° | 126.9° |
| C10 | O5 | C2 | 109.0° | 107.4° |
| C35 | C30 | H25 | 107.9° | 110.4° |
| C30 | C35 | H30 | 109.5° | 109.5° |
| C30 | C35 | H31 | 109.4° | 109.5° |
| C30 | C35 | H32 | 109.5° | 109.5° |
| C54 | C49 | C44 | 110.1° | 109.1° |
| C54 | C49 | N53 | 110.8° | 109.5° |
| C54 | C49 | H39 | 108.0° | 109.7° |
| C49 | C54 | H42 | 108.8° | 109.6° |
| C49 | C54 | H43 | 108.7° | 109.6° |
| O39 | C42 | C44 | 108.6° | 109.5° |
| O39 | C42 | H36 | 109.8° | 109.5° |
| C42 | C44 | C49 | 107.3° | 109.2° |
| C42 | C44 | O48 | 108.5° | 109.5° |
| C44 | C42 | H36 | 108.6° | 109.5° |
| C42 | C44 | H37 | 108.7° | 109.5° |
| C19 | C13 | C7 | 119.4° | 124.4° |
| C13 | C19 | C24 | 107.5° | 114.5° |
| C13 | C19 | C23 | 110.5° | 113.0° |
| C13 | C19 | H15 | 109.1° | 100.9° |
| C13 | C7 | C12 | 110.0° | 111.2° |
| C13 | C7 | H6 | 106.2° | 111.4° |
| C24 | C19 | C23 | 112.0° | 116.5° |
| C24 | C19 | H15 | 108.8° | 103.5° |
| C19 | C24 | H20 | 108.2° | 106.3° |
| C19 | C24 | H21 | 108.2° | 109.1° |
| O5 | C2 | C1 | 110.4° | 107.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C23 | C19 | H15 | 108.8° | 106.1° |
| C19 | C23 | H17 | 109.5° | 109.5° |
| C19 | C23 | H18 | 109.5° | 109.5° |
| C19 | C23 | H19 | 109.5° | 109.5° |
| C12 | C7 | H6 | 106.0° | 102.6° |
| C7 | C12 | H9 | 109.5° | 109.5° |
| C7 | C12 | H10 | 109.4° | 109.5° |
| C7 | C12 | H11 | 109.5° | 109.4° |
| N81 | N82 | C78 | 108.4° | 108.9° |
| O93 | C93 | C92 | 120.4° | 120.0° |
| C93 | C92 | C91 | 114.8° | 109.4° |
| C93 | C92 | H64 | 108.1° | 109.4° |
| C93 | C92 | H65 | 108.1° | 109.5° |
| C44 | C49 | N53 | 111.0° | 109.6° |
| C49 | C44 | O48 | 113.8° | 109.5° |
| C49 | C44 | H37 | 108.6° | 109.6° |
| C44 | C49 | H39 | 108.0° | 109.5° |
| C49 | N53 | C57 | 111.9° | 111.0° |
| C49 | N53 | C58 | 109.1° | 111.0° |
| N53 | C49 | H39 | 108.7° | 109.5° |
| N82 | C78 | C90 | 122.6° | 126.7° |
| C78 | C90 | C91 | 116.5° | 109.5° |
| C78 | C90 | H68 | 107.7° | 109.4° |
| C78 | C90 | H69 | 107.7° | 109.4° |
| O48 | C44 | H37 | 109.8° | 109.5° |
| C44 | O48 | H38 | 109.5° | 114.0° |
| C92 | C91 | C90 | 112.8° | 109.4° |
| C91 | C92 | H64 | 108.2° | 109.5° |
| C91 | C92 | H65 | 108.1° | 109.5° |
| C92 | C91 | H66 | 108.6° | 109.5° |
| C92 | C91 | H67 | 108.6° | 109.5° |
| C90 | C91 | H66 | 108.7° | 109.5° |
| C90 | C91 | H67 | 108.6° | 109.5° |
| C91 | C90 | H68 | 107.7° | 109.5° |
| C91 | C90 | H69 | 107.7° | 109.5° |
| C57 | N53 | C58 | 109.4° | 111.0° |
| N53 | C57 | H47 | 109.5° | 109.5° |
| N53 | C57 | H48 | 109.5° | 109.5° |
| N53 | C57 | H49 | 109.5° | 109.4° |
| N53 | C58 | H50 | 109.5° | 109.5° |
| N53 | C58 | H51 | 109.5° | 109.5° |
| N53 | C58 | H52 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 106.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H28 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.4° |
| H30 | C35 | H31 | 109.5° | 109.5° |
| H30 | C35 | H32 | 109.5° | 109.4° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.4° | 109.5° |
| H33 | C38 | H35 | 109.5° | 109.4° |
| H34 | C38 | H35 | 109.5° | 109.4° |
| H42 | C54 | H43 | 109.5° | 109.6° |
| H44 | C55 | H45 | 109.5° | 109.5° |
| H44 | C55 | H46 | 109.5° | 109.5° |
| H45 | C55 | H46 | 109.5° | 109.5° |
| H47 | C57 | H48 | 109.4° | 109.5° |
| H47 | C57 | H49 | 109.4° | 109.5° |
| H48 | C57 | H49 | 109.5° | 109.5° |
| H50 | C58 | H51 | 109.5° | 109.4° |
| H50 | C58 | H52 | 109.5° | 109.5° |
| H51 | C58 | H52 | 109.5° | 109.5° |
| H53 | C28 | H54 | 109.5° | 109.5° |
| H55 | C17 | H56 | 109.5° | 109.5° |
| H57 | C83 | H58 | 109.5° | 109.5° |
| H64 | C92 | H65 | 109.5° | 109.5° |
| H66 | C91 | H67 | 109.5° | 109.4° |
| H68 | C90 | H69 | 109.5° | 109.5° |
| H71 | CA | H72 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 176.6° | 179.9° |
| O | C | CA | N | 108.9° | 0.1° |
| O | C | CA | H71 | 130.6° | 120.1° |
| O | C | CA | H72 | 11.5° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C38 | O32 | C11 | C33 | 32.6° | 64.8° |
| C38 | O32 | C11 | C34 | 153.2° | 174.7° |
| C38 | O32 | C11 | C24 | 89.4° | 56.3° |
| O32 | C38 | H33 | H34 | 120.0° | 120.0° |
| O32 | C38 | H33 | H35 | 120.0° | 120.0° |
| O32 | C38 | H34 | H35 | 120.0° | 120.0° |
| O29 | C26 | C21 | C25 | 20.6° | 46.0° |
| O29 | C26 | C21 | C30 | 178.3° | 179.2° |
| O29 | C26 | C21 | C15 | 98.9° | 73.4° |
| O29 | C26 | C30 | C34 | 28.2° | 75.1° |
| O29 | C26 | C30 | C35 | 97.1° | 47.3° |
| O29 | C26 | C21 | H16 | 141.2° | 167.3° |
| O29 | C26 | C30 | H25 | 145.9° | 166.7° |
| O20 | C15 | C21 | C25 | 55.6° | 78.9° |
| O20 | C15 | C21 | C26 | 63.8° | 42.5° |
| O20 | C15 | C21 | O9 | 180.0° | 174.7° |
| O20 | C15 | O9 | C4 | 3.7° | 4.0° |
| O20 | C15 | C21 | H16 | 176.3° | 166.5° |
| C55 | C50 | O45 | C54 | 123.2° | 120.0° |
| C55 | C50 | O45 | H40 | 118.2° | 120.0° |
| C55 | C50 | C54 | H40 | 119.1° | 120.0° |
| C55 | C50 | O45 | C42 | 173.5° | 178.8° |
| C55 | C50 | C54 | C49 | 172.2° | 177.6° |
| C55 | C50 | C54 | H42 | 51.8° | 62.4° |
| C55 | C50 | C54 | H43 | 67.4° | 57.7° |
| C50 | C55 | H44 | H45 | 120.0° | 120.0° |
| C50 | C55 | H44 | H46 | 120.0° | 120.0° |
| C50 | C55 | H45 | H46 | 120.0° | 120.0° |
| C25 | C21 | C26 | C15 | 119.5° | 119.4° |
| C25 | C21 | C26 | H16 | 120.5° | 121.2° |
| C25 | C21 | C26 | C30 | 161.1° | 134.7° |
| C25 | C21 | C15 | H16 | 120.7° | 114.5° |
| C25 | C21 | C15 | O9 | 124.4° | 95.8° |
| C21 | C25 | H22 | H23 | 120.0° | 119.9° |
| C21 | C25 | H22 | H24 | 120.0° | 120.0° |
| C21 | C25 | H23 | H24 | 120.0° | 120.0° |
| C | CA | N | H71 | 120.5° | 120.0° |
| C | CA | N | H72 | 120.5° | 120.1° |
| C | CA | N | C93 | 115.9° | 180.0° |
| C | CA | N | H70 | 64.1° | 0.1° |
| C | CA | H71 | H72 | 118.7° | 120.0° |
| CA | C | OXT | HXT | 176.5° | 180.0° |
| O32 | C11 | C33 | C34 | 120.5° | 120.5° |
| O32 | C11 | C33 | C24 | 122.1° | 115.8° |
| O32 | C11 | C34 | C24 | 120.3° | 115.3° |
| O32 | C11 | C34 | C30 | 56.5° | 57.0° |
| O32 | C11 | C34 | O39 | 177.6° | 62.6° |
| O32 | C11 | C24 | C19 | 96.4° | 106.3° |
| O32 | C11 | C24 | H20 | 142.9° | 15.4° |
| O32 | C11 | C24 | H21 | 24.3° | 131.2° |
| O32 | C11 | C33 | H26 | 180.0° | 171.1° |
| O32 | C11 | C33 | H27 | 60.0° | 51.1° |
| O32 | C11 | C33 | H28 | 60.0° | 68.8° |
| O32 | C11 | C34 | H29 | 63.7° | 178.2° |
| C11 | O32 | C38 | H33 | 180.0° | 52.3° |
| C11 | O32 | C38 | H34 | 60.0° | 67.8° |
| C11 | O32 | C38 | H35 | 60.0° | 172.2° |
| C17 | C28 | N6 | H53 | 120.4° | 120.0° |
| C17 | C28 | N6 | H54 | 120.4° | 120.0° |
| C28 | C17 | C83 | H55 | 120.8° | 120.0° |
| C28 | C17 | C83 | H56 | 120.8° | 120.0° |
| C28 | C17 | C83 | N80 | 156.8° | 180.0° |
| C17 | C28 | N6 | C3 | 100.5° | 93.7° |
| C17 | C28 | N6 | C10 | 96.1° | 88.0° |
| C17 | C28 | H53 | H54 | 119.0° | 120.1° |
| C28 | C17 | H55 | H56 | 117.6° | 120.0° |
| C28 | C17 | C83 | H57 | 36.4° | 60.0° |
| C28 | C17 | C83 | H58 | 82.8° | 60.0° |
| N6 | C28 | C17 | C83 | 93.9° | 175.1° |
| C28 | N6 | C3 | C10 | 164.8° | 178.5° |
| C28 | N6 | C10 | O16 | 16.8° | 13.1° |
| C28 | N6 | C3 | C2 | 150.9° | 158.3° |
| C28 | N6 | C3 | C7 | 88.6° | 68.0° |
| C28 | N6 | C10 | O5 | 162.0° | 171.3° |
| C28 | N6 | C3 | H4 | 34.0° | 47.8° |
| N6 | C28 | H53 | H54 | 118.9° | 120.0° |
| N6 | C28 | C17 | H55 | 145.3° | 55.2° |
| N6 | C28 | C17 | H56 | 26.8° | 64.9° |
| C14 | C8 | C4 | H7 | 120.2° | 120.0° |
| C14 | C8 | C4 | H8 | 120.2° | 120.0° |
| C14 | C8 | C4 | O9 | 128.8° | 65.0° |
| C14 | C8 | C4 | C2 | 110.3° | 172.0° |
| C14 | C8 | C4 | H5 | 9.3° | 52.3° |
| C14 | C8 | H7 | H8 | 119.4° | 120.0° |
| C8 | C14 | H12 | H13 | 120.0° | 120.0° |
| C8 | C14 | H12 | H14 | 120.0° | 119.9° |
| C8 | C14 | H13 | H14 | 120.0° | 120.0° |
| C33 | C11 | C34 | C24 | 120.3° | 125.5° |
| C33 | C11 | C34 | C30 | 176.0° | 62.2° |
| C33 | C11 | C34 | O39 | 63.0° | 178.1° |
| C33 | C11 | C24 | C19 | 24.1° | 11.4° |
| C33 | C11 | C24 | H20 | 96.6° | 133.0° |
| C33 | C11 | C24 | H21 | 144.8° | 111.1° |
| C11 | C33 | H26 | H27 | 120.0° | 120.0° |
| C11 | C33 | H26 | H28 | 120.0° | 120.0° |
| C11 | C33 | H27 | H28 | 120.0° | 119.9° |
| C33 | C11 | C34 | H29 | 55.7° | 62.6° |
| C17 | C83 | N80 | H57 | 120.4° | 120.0° |
| C17 | C83 | N80 | H58 | 120.4° | 120.0° |
| C17 | C83 | N80 | C79 | 165.6° | 124.9° |
| C17 | C83 | N80 | N81 | 43.3° | 54.7° |
| C83 | C17 | C28 | H53 | 145.7° | 65.0° |
| C83 | C17 | C28 | H54 | 26.4° | 55.1° |
| C83 | C17 | H55 | H56 | 117.6° | 120.0° |
| C17 | C83 | H57 | H58 | 118.8° | 120.0° |
| C26 | C21 | C15 | H16 | 120.0° | 124.1° |
| C26 | C21 | C15 | O9 | 116.2° | 142.8° |
| C21 | C26 | C30 | C34 | 150.1° | 104.1° |
| C21 | C26 | C30 | C35 | 84.6° | 133.5° |
| C26 | C21 | C25 | H22 | 180.0° | 179.3° |
| C26 | C21 | C25 | H23 | 60.0° | 60.7° |
| C26 | C21 | C25 | H24 | 60.0° | 59.3° |
| C21 | C26 | C30 | H25 | 32.4° | 14.1° |
| C30 | C26 | C21 | C15 | 79.4° | 105.8° |
| C26 | C30 | C34 | C11 | 82.8° | 121.3° |
| C26 | C30 | C34 | C35 | 122.5° | 119.0° |
| C26 | C30 | C34 | H25 | 118.0° | 117.5° |
| C26 | C30 | C34 | O39 | 159.3° | 119.3° |
| C26 | C30 | C35 | H25 | 117.3° | 118.0° |
| C30 | C26 | C21 | H16 | 40.6° | 13.5° |
| C26 | C30 | C34 | H29 | 37.6° | 1.0° |
| C26 | C30 | C35 | H30 | 180.0° | 60.0° |
| C26 | C30 | C35 | H31 | 60.0° | 180.0° |
| C26 | C30 | C35 | H32 | 60.0° | 60.0° |
| O45 | C50 | C54 | H40 | 119.4° | 120.0° |
| O45 | C50 | C54 | C49 | 50.7° | 57.6° |
| C50 | O45 | C42 | O39 | 168.2° | 178.9° |
| C50 | O45 | C42 | C44 | 72.4° | 61.1° |
| C50 | O45 | C42 | H36 | 45.5° | 58.9° |
| O45 | C50 | C54 | H42 | 69.7° | 177.5° |
| O45 | C50 | C54 | H43 | 171.1° | 62.3° |
| O45 | C50 | C55 | H44 | 180.0° | 60.0° |
| O45 | C50 | C55 | H45 | 60.0° | 180.0° |
| O45 | C50 | C55 | H46 | 60.0° | 60.0° |
| C54 | C50 | O45 | C42 | 63.3° | 61.1° |
| C50 | C54 | C49 | H42 | 120.4° | 119.9° |
| C50 | C54 | C49 | H43 | 120.4° | 119.9° |
| C50 | C54 | C49 | C44 | 47.3° | 57.0° |
| C50 | C54 | C49 | N53 | 170.5° | 176.8° |
| C50 | C54 | C49 | H39 | 70.5° | 63.0° |
| C50 | C54 | H42 | H43 | 118.7° | 120.1° |
| C54 | C50 | C55 | H44 | 58.0° | 179.9° |
| C54 | C50 | C55 | H45 | 62.0° | 60.1° |
| C54 | C50 | C55 | H46 | 178.1° | 60.0° |
| C21 | C15 | O9 | C4 | 176.3° | 178.5° |
| C15 | C21 | C25 | H22 | 61.6° | 60.0° |
| C15 | C21 | C25 | H23 | 178.4° | 180.0° |
| C15 | C21 | C25 | H24 | 58.4° | 60.0° |
| C15 | O9 | C4 | C8 | 113.8° | 113.3° |
| C15 | O9 | C4 | C2 | 124.4° | 123.2° |
| C15 | O9 | C4 | H5 | 4.8° | 4.4° |
| O9 | C15 | C21 | H16 | 3.7° | 18.8° |
| C83 | N80 | C79 | N81 | 155.6° | 179.7° |
| C83 | N80 | C79 | C78 | 134.5° | 179.9° |
| C83 | N80 | N81 | N82 | 131.2° | 180.0° |
| N80 | C83 | C17 | H55 | 82.5° | 60.0° |
| N80 | C83 | C17 | H56 | 36.0° | 60.0° |
| N80 | C83 | H57 | H58 | 118.7° | 120.0° |
| C83 | N80 | C79 | H62 | 45.4° | 0.1° |
| C11 | C34 | C30 | O39 | 117.9° | 119.4° |
| C11 | C34 | C30 | H29 | 120.4° | 120.3° |
| C11 | C34 | O39 | H29 | 117.8° | 115.3° |
| C11 | C34 | C30 | C35 | 154.6° | 119.6° |
| C11 | C34 | O39 | C42 | 127.8° | 150.0° |
| C34 | C11 | C24 | C19 | 143.9° | 135.2° |
| C34 | C11 | C24 | H20 | 23.3° | 103.2° |
| C34 | C11 | C24 | H21 | 95.4° | 12.6° |
| C11 | C34 | C30 | H25 | 35.1° | 3.8° |
| C34 | C11 | C33 | H26 | 59.5° | 68.3° |
| C34 | C11 | C33 | H27 | 179.5° | 171.6° |
| C34 | C11 | C33 | H28 | 60.5° | 51.7° |
| C24 | C11 | C34 | C30 | 63.7° | 172.3° |
| C24 | C11 | C34 | O39 | 57.3° | 52.7° |
| C11 | C24 | C19 | C13 | 96.6° | 71.1° |
| C11 | C24 | C19 | H20 | 120.7° | 123.9° |
| C11 | C24 | C19 | H21 | 120.7° | 121.6° |
| C11 | C24 | C19 | C23 | 141.8° | 64.0° |
| C11 | C24 | C19 | H15 | 21.4° | 180.0° |
| C11 | C24 | H20 | H21 | 117.8° | 116.3° |
| C24 | C11 | C33 | H26 | 57.9° | 55.3° |
| C24 | C11 | C33 | H27 | 62.1° | 64.7° |
| C24 | C11 | C33 | H28 | 177.9° | 175.3° |
| C24 | C11 | C34 | H29 | 176.0° | 62.9° |
| CA | N | C93 | H70 | 180.0° | 179.9° |
| CA | N | C93 | O93 | 179.0° | 0.0° |
| CA | N | C93 | C92 | 0.0° | 180.0° |
| N | CA | C | OXT | 74.5° | 180.0° |
| N | CA | H71 | H72 | 118.6° | 120.0° |
| O18 | C13 | C7 | C3 | 62.7° | 29.8° |
| O18 | C13 | C19 | C7 | 180.0° | 176.0° |
| O18 | C13 | C19 | C24 | 125.4° | 54.2° |
| O18 | C13 | C19 | C23 | 112.1° | 169.2° |
| O18 | C13 | C7 | C12 | 67.5° | 91.0° |
| O18 | C13 | C7 | H6 | 178.2° | 155.2° |
| O18 | C13 | C19 | H15 | 7.5° | 56.3° |
| O45 | C42 | O39 | C34 | 85.8° | 65.1° |
| O45 | C42 | O39 | C44 | 118.7° | 119.9° |
| O45 | C42 | O39 | H36 | 122.7° | 120.0° |
| O45 | C42 | C44 | H36 | 118.7° | 120.0° |
| O45 | C42 | C44 | C49 | 66.7° | 57.6° |
| O45 | C42 | C44 | O48 | 170.0° | 177.5° |
| O45 | C42 | C44 | H37 | 50.6° | 62.4° |
| C42 | O45 | C50 | H40 | 55.3° | 58.9° |
| N6 | C3 | C2 | C4 | 96.1° | 93.8° |
| C3 | N6 | C10 | O16 | 177.6° | 165.4° |
| N6 | C3 | C2 | C7 | 120.6° | 129.9° |
| N6 | C3 | C2 | H4 | 117.7° | 110.3° |
| N6 | C3 | C7 | H4 | 123.2° | 115.6° |
| C3 | N6 | C10 | O5 | 3.6° | 10.1° |
| N6 | C3 | C7 | C13 | 96.2° | 94.7° |
| N6 | C3 | C2 | O5 | 18.6° | 25.6° |
| N6 | C3 | C2 | C1 | 139.2° | 139.8° |
| N6 | C3 | C7 | C12 | 31.3° | 27.8° |
| N6 | C3 | C7 | H6 | 148.1° | 140.1° |
| C3 | N6 | C28 | H53 | 19.9° | 26.2° |
| C3 | N6 | C28 | H54 | 139.1° | 146.3° |
| N6 | C10 | O16 | O5 | 178.6° | 175.1° |
| C10 | N6 | C3 | C2 | 13.9° | 23.2° |
| C10 | N6 | C3 | C7 | 106.6° | 110.5° |
| N6 | C10 | O5 | C2 | 9.5° | 7.6° |
| C10 | N6 | C3 | H4 | 130.9° | 133.7° |
| C10 | N6 | C28 | H53 | 143.6° | 152.0° |
| C10 | N6 | C28 | H54 | 24.3° | 32.0° |
| C30 | C34 | O39 | H29 | 120.8° | 124.6° |
| C34 | C30 | C35 | H25 | 119.5° | 122.8° |
| C30 | C34 | O39 | C42 | 110.8° | 89.9° |
| C34 | C30 | C35 | H30 | 56.8° | 179.1° |
| C34 | C30 | C35 | H31 | 63.3° | 60.9° |
| C34 | C30 | C35 | H32 | 176.7° | 59.1° |
| O39 | C34 | C30 | C35 | 36.7° | 0.3° |
| C34 | O39 | C42 | C44 | 155.5° | 175.0° |
| O39 | C34 | C30 | H25 | 82.8° | 123.2° |
| C34 | O39 | C42 | H36 | 36.9° | 55.0° |
| C8 | C4 | O9 | C2 | 121.8° | 123.5° |
| C8 | C4 | O9 | H5 | 118.6° | 117.7° |
| C8 | C4 | C2 | H5 | 119.6° | 119.1° |
| C8 | C4 | C2 | C3 | 135.6° | 145.4° |
| C8 | C4 | C2 | O5 | 22.9° | 31.7° |
| C8 | C4 | C2 | C1 | 96.5° | 86.5° |
| C4 | C8 | H7 | H8 | 119.4° | 120.0° |
| C4 | C8 | C14 | H12 | 180.0° | 180.0° |
| C4 | C8 | C14 | H13 | 60.0° | 60.0° |
| C4 | C8 | C14 | H14 | 60.0° | 60.1° |
| O9 | C4 | C2 | H5 | 120.5° | 117.9° |
| O9 | C4 | C2 | C3 | 104.5° | 91.6° |
| O9 | C4 | C2 | O5 | 142.8° | 154.8° |
| O9 | C4 | C2 | C1 | 23.4° | 36.5° |
| O9 | C4 | C8 | H7 | 8.6° | 175.0° |
| O9 | C4 | C8 | H8 | 111.0° | 55.0° |
| C4 | C2 | C3 | O5 | 114.7° | 119.4° |
| C4 | C2 | C3 | C1 | 124.7° | 126.4° |
| C4 | C2 | C3 | C7 | 143.3° | 136.3° |
| C4 | C2 | O5 | C10 | 100.2° | 100.3° |
| C4 | C2 | O5 | C1 | 118.7° | 119.8° |
| C4 | C2 | C1 | H1 | 180.0° | 179.3° |
| C4 | C2 | C1 | H2 | 60.0° | 60.8° |
| C4 | C2 | C1 | H3 | 60.0° | 59.2° |
| C4 | C2 | C3 | H4 | 21.6° | 16.4° |
| C2 | C4 | C8 | H7 | 129.6° | 52.0° |
| C2 | C4 | C8 | H8 | 9.9° | 68.0° |
| N | C93 | O93 | C92 | 179.0° | 180.0° |
| N | C93 | C92 | C91 | 75.4° | 180.0° |
| N | C93 | C92 | H64 | 45.4° | 60.0° |
| N | C93 | C92 | H65 | 163.8° | 60.0° |
| C93 | N | CA | H71 | 4.6° | 60.0° |
| C93 | N | CA | H72 | 123.7° | 60.0° |
| N80 | C79 | C78 | H62 | 180.0° | 179.8° |
| C79 | N80 | N81 | N82 | 25.3° | 0.2° |
| N80 | C79 | C78 | N82 | 9.5° | 0.4° |
| N80 | C79 | C78 | C90 | 178.9° | 179.9° |
| C79 | N80 | C83 | H57 | 74.0° | 5.0° |
| C79 | N80 | C83 | H58 | 45.1° | 115.0° |
| N81 | N80 | C79 | C78 | 21.0° | 0.4° |
| N80 | N81 | N82 | C78 | 19.9° | 0.0° |
| N81 | N80 | C83 | H57 | 77.1° | 174.7° |
| N81 | N80 | C83 | H58 | 163.7° | 65.3° |
| N81 | N80 | C79 | H62 | 159.0° | 179.8° |
| O16 | C10 | O5 | C2 | 169.4° | 176.7° |
| C2 | C3 | C7 | H4 | 121.7° | 119.9° |
| C3 | C2 | O5 | C10 | 17.4° | 21.2° |
| C2 | C3 | C7 | C13 | 148.7° | 140.7° |
| C3 | C2 | O5 | C1 | 123.7° | 118.7° |
| C2 | C3 | C7 | C12 | 83.9° | 96.7° |
| C3 | C2 | C1 | H1 | 54.3° | 52.1° |
| C3 | C2 | C1 | H2 | 65.7° | 67.9° |
| C3 | C2 | C1 | H3 | 174.3° | 172.1° |
| C3 | C2 | C4 | H5 | 16.0° | 26.3° |
| C2 | C3 | C7 | H6 | 32.9° | 15.5° |
| C3 | C7 | C13 | C19 | 117.3° | 146.3° |
| C3 | C7 | C13 | C12 | 130.2° | 120.8° |
| C3 | C7 | C13 | H6 | 115.5° | 125.4° |
| C7 | C3 | C2 | O5 | 102.1° | 104.3° |
| C7 | C3 | C2 | C1 | 18.6° | 9.9° |
| C3 | C7 | C12 | H6 | 116.7° | 118.3° |
| C3 | C7 | C12 | H9 | 180.0° | 65.5° |
| C3 | C7 | C12 | H10 | 60.0° | 174.5° |
| C3 | C7 | C12 | H11 | 60.0° | 54.4° |
| C79 | C78 | N82 | N81 | 5.9° | 0.3° |
| C79 | C78 | N82 | C90 | 172.3° | 179.7° |
| C79 | C78 | C90 | C91 | 39.2° | 125.3° |
| C79 | C78 | C90 | H68 | 81.8° | 114.6° |
| C79 | C78 | C90 | H69 | 160.3° | 5.4° |
| C10 | O5 | C2 | C1 | 141.1° | 139.8° |
| C35 | C30 | C34 | H29 | 85.0° | 120.0° |
| C30 | C35 | H30 | H31 | 120.0° | 120.0° |
| C30 | C35 | H30 | H32 | 120.0° | 120.0° |
| C30 | C35 | H31 | H32 | 120.0° | 120.0° |
| C54 | C49 | C44 | C42 | 54.2° | 57.0° |
| C54 | C49 | C44 | N53 | 123.1° | 119.8° |
| C54 | C49 | C44 | H39 | 117.8° | 120.0° |
| C54 | C49 | N53 | H39 | 118.6° | 120.3° |
| C54 | C49 | C44 | O48 | 174.3° | 176.9° |
| C54 | C49 | N53 | C57 | 29.4° | 53.5° |
| C54 | C49 | N53 | C58 | 150.6° | 70.4° |
| C54 | C49 | C44 | H37 | 63.1° | 62.9° |
| C49 | C54 | C50 | H40 | 68.7° | 62.4° |
| C49 | C54 | H42 | H43 | 118.7° | 120.2° |
| O39 | C42 | C44 | H36 | 119.4° | 120.0° |
| O39 | C42 | C44 | C49 | 171.4° | 177.6° |
| O39 | C42 | C44 | O48 | 48.1° | 62.5° |
| C42 | O39 | C34 | H29 | 10.1° | 34.7° |
| O39 | C42 | C44 | H37 | 71.3° | 57.6° |
| C42 | C44 | C49 | O48 | 120.0° | 119.9° |
| C42 | C44 | C49 | H37 | 117.4° | 119.9° |
| C42 | C44 | C49 | N53 | 177.3° | 176.9° |
| C42 | C44 | O48 | H37 | 118.7° | 120.1° |
| C42 | C44 | O48 | H38 | 180.0° | 60.0° |
| C42 | C44 | C49 | H39 | 63.6° | 63.0° |
| C13 | C19 | C24 | C23 | 121.6° | 135.1° |
| C13 | C19 | C24 | H15 | 118.1° | 108.9° |
| C13 | C19 | C23 | H15 | 119.8° | 109.7° |
| C19 | C13 | C7 | C12 | 112.5° | 92.9° |
| C19 | C13 | C7 | H6 | 1.8° | 20.8° |
| C13 | C19 | C23 | H17 | 180.0° | 54.3° |
| C13 | C19 | C23 | H18 | 60.0° | 174.3° |
| C13 | C19 | C23 | H19 | 60.0° | 65.7° |
| C13 | C19 | C24 | H20 | 142.7° | 165.0° |
| C13 | C19 | C24 | H21 | 24.1° | 50.5° |
| C7 | C13 | C19 | C24 | 54.6° | 121.8° |
| C7 | C13 | C19 | C23 | 67.9° | 14.8° |
| C13 | C7 | C12 | H6 | 114.4° | 119.1° |
| C13 | C7 | C3 | H4 | 27.0° | 20.9° |
| C13 | C7 | C12 | H9 | 51.2° | 57.0° |
| C13 | C7 | C12 | H10 | 171.2° | 63.0° |
| C13 | C7 | C12 | H11 | 68.8° | 177.0° |
| C7 | C13 | C19 | H15 | 172.5° | 127.7° |
| C24 | C19 | C23 | H15 | 120.4° | 114.6° |
| C24 | C19 | C23 | H17 | 60.2° | 170.1° |
| C24 | C19 | C23 | H18 | 59.8° | 50.0° |
| C24 | C19 | C23 | H19 | 179.8° | 70.0° |
| C19 | C24 | H20 | H21 | 117.8° | 116.2° |
| O5 | C2 | C1 | H1 | 62.7° | 58.6° |
| O5 | C2 | C1 | H2 | 177.3° | 178.5° |
| O5 | C2 | C1 | H3 | 57.3° | 61.5° |
| O5 | C2 | C3 | H4 | 136.2° | 135.8° |
| O5 | C2 | C4 | H5 | 96.7° | 87.4° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 103.1° | 110.0° |
| C1 | C2 | C4 | H5 | 143.8° | 154.4° |
| C19 | C23 | H17 | H18 | 120.0° | 120.0° |
| C19 | C23 | H17 | H19 | 120.0° | 120.0° |
| C19 | C23 | H18 | H19 | 120.0° | 120.0° |
| C23 | C19 | C24 | H20 | 21.1° | 60.0° |
| C23 | C19 | C24 | H21 | 97.5° | 174.5° |
| C12 | C7 | C3 | H4 | 154.4° | 143.4° |
| C7 | C12 | H9 | H10 | 120.0° | 120.0° |
| C7 | C12 | H9 | H11 | 120.0° | 119.9° |
| C7 | C12 | H10 | H11 | 120.0° | 120.0° |
| N81 | N82 | C78 | C90 | 166.5° | 180.0° |
| O93 | C93 | C92 | C91 | 105.6° | 0.0° |
| O93 | C93 | C92 | H64 | 133.6° | 120.0° |
| O93 | C93 | C92 | H65 | 15.2° | 120.0° |
| O93 | C93 | N | H70 | 0.9° | 180.0° |
| C93 | C92 | C91 | H64 | 120.8° | 120.0° |
| C93 | C92 | C91 | H65 | 120.8° | 120.0° |
| C93 | C92 | C91 | C90 | 164.5° | 180.0° |
| C93 | C92 | H64 | H65 | 117.6° | 120.0° |
| C93 | C92 | C91 | H66 | 75.0° | 60.0° |
| C93 | C92 | C91 | H67 | 44.1° | 60.0° |
| C92 | C93 | N | H70 | 180.0° | 0.0° |
| C44 | C49 | N53 | H39 | 118.7° | 120.2° |
| C49 | C44 | O48 | H37 | 121.9° | 120.2° |
| C44 | C49 | N53 | C57 | 152.1° | 66.1° |
| C44 | C49 | N53 | C58 | 86.7° | 170.0° |
| C49 | C44 | C42 | H36 | 52.1° | 62.4° |
| C49 | C44 | O48 | H38 | 60.6° | 179.7° |
| C44 | C49 | C54 | H42 | 73.1° | 176.9° |
| C44 | C49 | C54 | H43 | 167.7° | 62.9° |
| N53 | C49 | C44 | O48 | 62.7° | 63.2° |
| C49 | N53 | C57 | C58 | 121.1° | 123.9° |
| N53 | C49 | C44 | H37 | 59.9° | 56.9° |
| N53 | C49 | C54 | H42 | 50.1° | 63.3° |
| N53 | C49 | C54 | H43 | 69.1° | 57.0° |
| C49 | N53 | C57 | H47 | 180.0° | 60.0° |
| C49 | N53 | C57 | H48 | 60.0° | 180.0° |
| C49 | N53 | C57 | H49 | 60.0° | 60.0° |
| C49 | N53 | C58 | H50 | 180.0° | 60.0° |
| C49 | N53 | C58 | H51 | 60.0° | 180.0° |
| C49 | N53 | C58 | H52 | 60.0° | 60.0° |
| N82 | C78 | C90 | C91 | 150.3° | 55.0° |
| N82 | C78 | C79 | H62 | 170.5° | 179.8° |
| N82 | C78 | C90 | H68 | 88.6° | 65.1° |
| N82 | C78 | C90 | H69 | 29.3° | 175.0° |
| C78 | C90 | C91 | C92 | 77.3° | 180.0° |
| C78 | C90 | C91 | H68 | 121.0° | 120.0° |
| C78 | C90 | C91 | H69 | 121.0° | 119.9° |
| C90 | C78 | C79 | H62 | 1.1° | 0.1° |
| C78 | C90 | C91 | H66 | 162.2° | 60.0° |
| C78 | C90 | C91 | H67 | 43.2° | 60.0° |
| C78 | C90 | H68 | H69 | 116.8° | 119.9° |
| O48 | C44 | C42 | H36 | 71.3° | 57.5° |
| O48 | C44 | C49 | H39 | 56.5° | 56.9° |
| C92 | C91 | C90 | H66 | 120.5° | 120.0° |
| C92 | C91 | C90 | H67 | 120.5° | 120.0° |
| C91 | C92 | H64 | H65 | 117.6° | 120.0° |
| C92 | C91 | H66 | H67 | 118.5° | 120.0° |
| C92 | C91 | C90 | H68 | 161.7° | 60.0° |
| C92 | C91 | C90 | H69 | 43.7° | 60.0° |
| C90 | C91 | C92 | H64 | 43.8° | 60.0° |
| C90 | C91 | C92 | H65 | 74.7° | 60.0° |
| C90 | C91 | H66 | H67 | 118.5° | 120.0° |
| C91 | C90 | H68 | H69 | 116.8° | 120.1° |
| C57 | N53 | C49 | H39 | 89.2° | 173.8° |
| N53 | C57 | H47 | H48 | 120.0° | 120.0° |
| N53 | C57 | H47 | H49 | 120.0° | 119.9° |
| N53 | C57 | H48 | H49 | 120.0° | 120.0° |
| C57 | N53 | C58 | H50 | 57.2° | 176.0° |
| C57 | N53 | C58 | H51 | 62.8° | 56.1° |
| C57 | N53 | C58 | H52 | 177.2° | 64.0° |
| C58 | N53 | C49 | H39 | 32.0° | 49.9° |
| C58 | N53 | C57 | H47 | 58.9° | 64.0° |
| C58 | N53 | C57 | H48 | 178.9° | 56.1° |
| C58 | N53 | C57 | H49 | 61.1° | 176.1° |
| N53 | C58 | H50 | H51 | 120.0° | 120.0° |
| N53 | C58 | H50 | H52 | 120.0° | 120.1° |
| N53 | C58 | H51 | H52 | 120.0° | 120.1° |
| OXT | C | CA | H71 | 46.0° | 60.0° |
| OXT | C | CA | H72 | 165.1° | 59.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C7 | H6 | 88.8° | 104.3° |
| H5 | C4 | C8 | H7 | 110.8° | 67.7° |
| H5 | C4 | C8 | H8 | 129.5° | 172.3° |
| H6 | C7 | C12 | H9 | 63.3° | 176.2° |
| H6 | C7 | C12 | H10 | 56.8° | 56.2° |
| H6 | C7 | C12 | H11 | 176.8° | 63.9° |
| H7 | C8 | C14 | H12 | 59.8° | 59.9° |
| H7 | C8 | C14 | H13 | 60.2° | 180.0° |
| H7 | C8 | C14 | H14 | 179.8° | 60.0° |
| H8 | C8 | C14 | H12 | 59.8° | 60.1° |
| H8 | C8 | C14 | H13 | 179.8° | 60.0° |
| H8 | C8 | C14 | H14 | 60.2° | 180.0° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H12 | C14 | H13 | H14 | 120.0° | 120.0° |
| H15 | C19 | C23 | H17 | 60.2° | 55.4° |
| H15 | C19 | C23 | H18 | 179.8° | 64.6° |
| H15 | C19 | C23 | H19 | 59.8° | 175.4° |
| H15 | C19 | C24 | H20 | 99.2° | 56.1° |
| H15 | C19 | C24 | H21 | 142.2° | 58.4° |
| H16 | C21 | C25 | H22 | 59.3° | 54.8° |
| H16 | C21 | C25 | H23 | 60.7° | 65.1° |
| H16 | C21 | C25 | H24 | 179.3° | 174.8° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.1° |
| H25 | C30 | C34 | H29 | 155.5° | 116.5° |
| H25 | C30 | C35 | H30 | 62.7° | 58.1° |
| H25 | C30 | C35 | H31 | 177.3° | 62.0° |
| H25 | C30 | C35 | H32 | 57.3° | 178.0° |
| H26 | C33 | H27 | H28 | 120.0° | 120.0° |
| H30 | C35 | H31 | H32 | 120.0° | 120.0° |
| H33 | C38 | H34 | H35 | 120.0° | 119.9° |
| H36 | C42 | C44 | H37 | 169.3° | 177.6° |
| H37 | C44 | O48 | H38 | 61.3° | 60.1° |
| H37 | C44 | C49 | H39 | 179.1° | 177.1° |
| H39 | C49 | C54 | H42 | 169.1° | 56.9° |
| H39 | C49 | C54 | H43 | 49.9° | 177.2° |
| H40 | C50 | C54 | H42 | 170.9° | 57.6° |
| H40 | C50 | C54 | H43 | 51.7° | 177.7° |
| H40 | C50 | C55 | H44 | 61.1° | 60.0° |
| H40 | C50 | C55 | H45 | 178.9° | 60.0° |
| H40 | C50 | C55 | H46 | 59.0° | 180.0° |
| H44 | C55 | H45 | H46 | 120.0° | 120.0° |
| H47 | C57 | H48 | H49 | 120.0° | 120.0° |
| H50 | C58 | H51 | H52 | 120.0° | 120.0° |
| H53 | C28 | C17 | H55 | 25.0° | 175.1° |
| H53 | C28 | C17 | H56 | 93.5° | 55.1° |
| H54 | C28 | C17 | H55 | 94.3° | 64.8° |
| H54 | C28 | C17 | H56 | 147.2° | 175.1° |
| H55 | C17 | C83 | H57 | 157.1° | 180.0° |
| H55 | C17 | C83 | H58 | 37.9° | 60.0° |
| H56 | C17 | C83 | H57 | 84.4° | 60.0° |
| H56 | C17 | C83 | H58 | 156.4° | 180.0° |
| H64 | C92 | C91 | H66 | 164.3° | 179.9° |
| H64 | C92 | C91 | H67 | 76.7° | 60.0° |
| H65 | C92 | C91 | H66 | 45.8° | 60.0° |
| H65 | C92 | C91 | H67 | 164.9° | 180.0° |
| H66 | C91 | C90 | H68 | 41.2° | 60.0° |
| H66 | C91 | C90 | H69 | 76.8° | 179.9° |
| H67 | C91 | C90 | H68 | 77.8° | 180.0° |
| H67 | C91 | C90 | H69 | 164.2° | 59.9° |
| H70 | N | CA | H71 | 175.4° | 120.1° |
| H70 | N | CA | H72 | 56.3° | 120.0° |
