A1IIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.37Å | 1.37Å | |
| C2 | C3 | sing | 1.40Å | 1.40Å | |
| C3 | N | doub | 1.31Å | 1.35Å | |
| N | C4 | sing | 1.35Å | 1.39Å | |
| C1 | C4 | sing | 1.42Å | 1.42Å | |
| C4 | C5 | doub | 1.39Å | 1.37Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| O | C12 | doub | 1.21Å | 1.23Å | |
| N1 | C12 | sing | 1.35Å | 1.33Å | |
| C13 | N1 | sing | 1.46Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| O1 | C14 | sing | 1.43Å | 1.43Å | |
| C15 | O1 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C22 | sing | 1.54Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | N2 | sing | 1.48Å | 1.47Å | |
| N2 | C27 | sing | 1.48Å | 1.46Å | |
| C27 | C24 | sing | 1.53Å | 1.54Å | |
| C28 | N2 | sing | 1.35Å | 1.36Å | |
| O2 | C28 | doub | 1.22Å | 1.22Å | |
| N3 | C28 | sing | 1.35Å | 1.35Å | |
| N3 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.52Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | O3 | sing | 1.46Å | 1.45Å | |
| O3 | C32 | sing | 1.34Å | 1.36Å | |
| O4 | C32 | doub | 1.21Å | 1.21Å | |
| C32 | N4 | sing | 1.34Å | 1.34Å | |
| N4 | C30 | sing | 1.46Å | 1.46Å | |
| C30 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | N3 | sing | 1.47Å | 1.47Å | |
| C9 | N5 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | B | sing | 1.51Å | 1.55Å | |
| N | B | sing | 1.52Å | 1.55Å | |
| F | B | sing | 1.37Å | 1.38Å | |
| B | F1 | sing | 1.37Å | 1.39Å | |
| C34 | C3 | sing | 1.51Å | 1.50Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 128.1° | 126.8° |
| C | C1 | C4 | 125.7° | 126.7° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C2 | C3 | 108.4° | 107.1° |
| C2 | C1 | C4 | 106.2° | 106.5° |
| C1 | C2 | H3 | 125.8° | 126.4° |
| C2 | C3 | N | 109.5° | 109.1° |
| C2 | C3 | C34 | 127.7° | 125.4° |
| C3 | C2 | H3 | 125.8° | 126.4° |
| C3 | N | C4 | 107.2° | 109.8° |
| C3 | N | B | 127.2° | 131.4° |
| N | C3 | C34 | 122.8° | 125.5° |
| N | C4 | C1 | 108.6° | 107.4° |
| N | C4 | C5 | 120.0° | 121.6° |
| C4 | N | B | 125.6° | 118.8° |
| C1 | C4 | C5 | 131.4° | 130.9° |
| C4 | C5 | C6 | 122.3° | 123.3° |
| C4 | C5 | H4 | 118.8° | 118.4° |
| C5 | C6 | C7 | 131.8° | 132.3° |
| C5 | C6 | N5 | 119.9° | 120.8° |
| C6 | C5 | H4 | 118.9° | 118.3° |
| C6 | C7 | C8 | 107.2° | 107.0° |
| C7 | C6 | N5 | 108.2° | 106.9° |
| C6 | C7 | H5 | 126.4° | 126.5° |
| C7 | C8 | C9 | 107.7° | 108.0° |
| C8 | C7 | H5 | 126.4° | 126.5° |
| C7 | C8 | H6 | 126.2° | 126.0° |
| C8 | C9 | C10 | 129.0° | 125.4° |
| C8 | C9 | N5 | 109.1° | 109.1° |
| C9 | C8 | H6 | 126.1° | 126.0° |
| C9 | C10 | C11 | 113.8° | 109.5° |
| C10 | C9 | N5 | 122.0° | 125.4° |
| C9 | C10 | H7 | 108.4° | 109.5° |
| C9 | C10 | H8 | 108.4° | 109.5° |
| C10 | C11 | C12 | 111.5° | 109.5° |
| C11 | C10 | H7 | 108.4° | 109.4° |
| C11 | C10 | H8 | 108.4° | 109.4° |
| C10 | C11 | H10 | 108.9° | 109.5° |
| C10 | C11 | H9 | 109.0° | 109.5° |
| C11 | C12 | O | 121.3° | 120.0° |
| C11 | C12 | N1 | 115.9° | 120.0° |
| C12 | C11 | H10 | 109.0° | 109.5° |
| C12 | C11 | H9 | 109.0° | 109.5° |
| O | C12 | N1 | 122.8° | 120.0° |
| C12 | N1 | C13 | 122.2° | 120.0° |
| C12 | N1 | H11 | 118.9° | 119.9° |
| N1 | C13 | C14 | 111.9° | 109.5° |
| C13 | N1 | H11 | 118.9° | 120.0° |
| N1 | C13 | H12 | 108.9° | 109.4° |
| N1 | C13 | H13 | 108.9° | 109.5° |
| C13 | C14 | O1 | 107.2° | 109.5° |
| C14 | C13 | H12 | 108.9° | 109.4° |
| C14 | C13 | H13 | 108.9° | 109.5° |
| C13 | C14 | H14 | 110.0° | 109.5° |
| C13 | C14 | H15 | 110.0° | 109.5° |
| C14 | O1 | C15 | 117.4° | 117.0° |
| O1 | C14 | H14 | 110.0° | 109.5° |
| O1 | C14 | H15 | 110.0° | 109.4° |
| O1 | C15 | C16 | 123.3° | 120.1° |
| O1 | C15 | C20 | 115.6° | 120.0° |
| C15 | C16 | C17 | 119.5° | 119.9° |
| C16 | C15 | C20 | 121.0° | 119.9° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C16 | C17 | C18 | 120.3° | 120.1° |
| C17 | C16 | H16 | 120.2° | 120.1° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.9° | 120.0° |
| C19 | C18 | H18 | 120.0° | 119.9° |
| C18 | C19 | H19 | 119.6° | 120.0° |
| C19 | C20 | C15 | 118.2° | 119.9° |
| C19 | C20 | C21 | 120.8° | 120.1° |
| C20 | C19 | H19 | 119.6° | 119.9° |
| C15 | C20 | C21 | 121.0° | 120.0° |
| C20 | C21 | C22 | 112.0° | 109.4° |
| C20 | C21 | H20 | 108.8° | 109.5° |
| C20 | C21 | H21 | 108.9° | 109.5° |
| C21 | C22 | C23 | 119.8° | 113.5° |
| C21 | C22 | C25 | 116.5° | 113.6° |
| C22 | C21 | H20 | 108.9° | 109.5° |
| C22 | C21 | H21 | 108.9° | 109.4° |
| C21 | C22 | H22 | 110.3° | 112.9° |
| C22 | C23 | C24 | 85.7° | 86.7° |
| C23 | C22 | C25 | 88.0° | 87.3° |
| C23 | C22 | H22 | 110.2° | 113.6° |
| C22 | C23 | H23 | 115.0° | 113.7° |
| C22 | C23 | H24 | 115.0° | 113.6° |
| C23 | C24 | C25 | 88.5° | 88.1° |
| C23 | C24 | C26 | 120.4° | 121.3° |
| C23 | C24 | C27 | 122.1° | 121.3° |
| C24 | C23 | H23 | 115.0° | 113.7° |
| C24 | C23 | H24 | 115.1° | 113.7° |
| C24 | C25 | C22 | 85.7° | 86.8° |
| C25 | C24 | C26 | 121.4° | 121.3° |
| C25 | C24 | C27 | 120.4° | 121.3° |
| C24 | C25 | H26 | 115.1° | 113.7° |
| C24 | C25 | H25 | 115.1° | 113.7° |
| C25 | C22 | H22 | 110.2° | 113.7° |
| C22 | C25 | H26 | 115.0° | 113.7° |
| C22 | C25 | H25 | 115.1° | 113.7° |
| C24 | C26 | N2 | 88.3° | 85.8° |
| C26 | C24 | C27 | 87.8° | 87.4° |
| C24 | C26 | H27 | 114.5° | 113.8° |
| C24 | C26 | H28 | 114.5° | 113.9° |
| C26 | N2 | C27 | 94.0° | 91.3° |
| C26 | N2 | C28 | 132.2° | 134.3° |
| N2 | C26 | H27 | 114.5° | 113.8° |
| N2 | C26 | H28 | 114.5° | 113.9° |
| N2 | C27 | C24 | 88.4° | 85.7° |
| C27 | N2 | C28 | 119.9° | 134.4° |
| N2 | C27 | H29 | 114.5° | 113.8° |
| N2 | C27 | H30 | 114.4° | 113.8° |
| C24 | C27 | H29 | 114.4° | 113.9° |
| C24 | C27 | H30 | 114.5° | 113.8° |
| N2 | C28 | O2 | 121.7° | 120.0° |
| N2 | C28 | N3 | 116.8° | 120.0° |
| O2 | C28 | N3 | 121.4° | 120.0° |
| C28 | N3 | C29 | 123.9° | 136.0° |
| C28 | N3 | C33 | 136.8° | 135.9° |
| N3 | C29 | C30 | 88.2° | 87.7° |
| C29 | N3 | C33 | 94.9° | 88.1° |
| N3 | C29 | H32 | 114.5° | 113.5° |
| N3 | C29 | H31 | 114.5° | 113.5° |
| C29 | C30 | C31 | 116.5° | 116.5° |
| C29 | C30 | N4 | 115.8° | 117.0° |
| C29 | C30 | C33 | 88.5° | 84.5° |
| C30 | C29 | H32 | 114.4° | 113.6° |
| C30 | C29 | H31 | 114.5° | 113.5° |
| C30 | C31 | O3 | 105.9° | 103.5° |
| C31 | C30 | N4 | 99.8° | 105.0° |
| C31 | C30 | C33 | 115.8° | 116.4° |
| C30 | C31 | H34 | 110.4° | 110.6° |
| C30 | C31 | H33 | 110.3° | 110.6° |
| C31 | O3 | C32 | 109.1° | 109.4° |
| O3 | C31 | H34 | 110.3° | 110.6° |
| O3 | C31 | H33 | 110.3° | 110.6° |
| O3 | C32 | O4 | 121.3° | 123.1° |
| O3 | C32 | N4 | 110.1° | 113.8° |
| O4 | C32 | N4 | 128.6° | 123.1° |
| C32 | N4 | C30 | 113.1° | 108.3° |
| C32 | N4 | H35 | 123.4° | 125.9° |
| N4 | C30 | C33 | 121.8° | 117.2° |
| C30 | N4 | H35 | 123.5° | 125.8° |
| C30 | C33 | N3 | 88.2° | 87.6° |
| C30 | C33 | H37 | 114.5° | 113.5° |
| C30 | C33 | H36 | 114.5° | 113.5° |
| N3 | C33 | H37 | 114.5° | 113.7° |
| N3 | C33 | H36 | 114.5° | 113.3° |
| C9 | N5 | C6 | 107.8° | 109.0° |
| C9 | N5 | B | 127.1° | 132.8° |
| C6 | N5 | B | 125.1° | 118.2° |
| N5 | B | N | 107.0° | 117.3° |
| N5 | B | F | 109.7° | 107.9° |
| N5 | B | F1 | 110.4° | 107.9° |
| N | B | F | 109.7° | 107.9° |
| N | B | F1 | 110.5° | 107.9° |
| F | B | F1 | 109.6° | 107.7° |
| C3 | C34 | H40 | 109.5° | 109.5° |
| C3 | C34 | H39 | 109.5° | 109.5° |
| C3 | C34 | H38 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.4° | 109.4° |
| H | C | H1 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
| H10 | C11 | H9 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.5° | 113.0° |
| H26 | C25 | H25 | 109.4° | 112.9° |
| H27 | C26 | H28 | 109.5° | 113.1° |
| H29 | C27 | H30 | 109.5° | 113.1° |
| H32 | C29 | H31 | 109.5° | 112.8° |
| H34 | C31 | H33 | 109.5° | 110.7° |
| H37 | C33 | H36 | 109.5° | 112.9° |
| H40 | C34 | H39 | 109.4° | 109.4° |
| H40 | C34 | H38 | 109.4° | 109.5° |
| H39 | C34 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C4 | 178.7° | 179.8° |
| C | C1 | C2 | C3 | 178.2° | 179.9° |
| C | C1 | C4 | N | 177.9° | 180.0° |
| C | C1 | C4 | C5 | 2.6° | 0.2° |
| C | C1 | C2 | H3 | 1.8° | 0.1° |
| C1 | C | H2 | H | 120.0° | 120.1° |
| C1 | C | H2 | H1 | 120.0° | 119.9° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | N | 0.0° | 0.1° |
| C2 | C1 | C4 | N | 0.8° | 0.1° |
| C2 | C1 | C4 | C5 | 178.7° | 180.0° |
| C1 | C2 | C3 | C34 | 179.8° | 179.9° |
| C2 | C1 | C | H2 | 180.0° | 0.1° |
| C2 | C1 | C | H | 60.0° | 119.9° |
| C2 | C1 | C | H1 | 60.0° | 120.1° |
| C2 | C3 | N | C34 | 179.8° | 180.0° |
| C2 | C3 | N | C4 | 0.5° | 0.0° |
| C3 | C2 | C1 | C4 | 0.5° | 0.1° |
| C2 | C3 | N | B | 178.2° | 179.3° |
| C2 | C3 | C34 | H40 | 180.0° | 90.0° |
| C2 | C3 | C34 | H39 | 60.0° | 30.0° |
| C2 | C3 | C34 | H38 | 60.0° | 150.0° |
| C3 | N | C4 | B | 178.7° | 179.4° |
| C3 | N | C4 | C1 | 0.8° | 0.1° |
| C3 | N | C4 | C5 | 178.7° | 180.0° |
| C3 | N | B | N5 | 177.8° | 179.9° |
| C3 | N | B | F | 63.3° | 58.0° |
| C3 | N | B | F1 | 57.6° | 58.1° |
| N | C3 | C2 | H3 | 180.0° | 180.0° |
| N | C3 | C34 | H40 | 0.2° | 90.1° |
| N | C3 | C34 | H39 | 120.2° | 149.9° |
| N | C3 | C34 | H38 | 119.8° | 30.0° |
| N | C4 | C1 | C5 | 179.5° | 179.9° |
| N | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | N | B | N5 | 3.7° | 0.8° |
| C4 | N | B | F | 115.2° | 122.7° |
| C4 | N | B | F1 | 123.9° | 121.2° |
| C4 | N | C3 | C34 | 179.3° | 180.0° |
| N | C4 | C5 | H4 | 179.6° | 179.9° |
| C1 | C4 | C5 | C6 | 179.9° | 180.0° |
| C1 | C4 | N | B | 177.9° | 179.4° |
| C1 | C4 | C5 | H4 | 0.2° | 0.0° |
| C4 | C1 | C2 | H3 | 179.5° | 180.0° |
| C4 | C1 | C | H2 | 1.6° | 179.9° |
| C4 | C1 | C | H | 121.6° | 59.9° |
| C4 | C1 | C | H1 | 118.4° | 60.1° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.6° | 180.0° |
| C4 | C5 | C6 | N5 | 0.2° | 0.5° |
| C5 | C4 | N | B | 2.5° | 0.5° |
| C5 | C6 | C7 | N5 | 178.5° | 179.6° |
| C5 | C6 | C7 | C8 | 178.1° | 179.9° |
| C5 | C6 | N5 | C9 | 178.1° | 180.0° |
| C5 | C6 | N5 | B | 2.0° | 0.1° |
| C5 | C6 | C7 | H5 | 1.9° | 0.3° |
| C6 | C7 | C8 | H5 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 0.1° | 0.2° |
| C7 | C6 | N5 | C9 | 0.7° | 0.4° |
| C7 | C6 | N5 | B | 179.2° | 179.8° |
| C6 | C7 | C8 | H6 | 179.9° | 179.8° |
| C7 | C6 | C5 | H4 | 1.4° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 178.6° | 180.0° |
| C7 | C8 | C9 | N5 | 0.3° | 0.0° |
| C8 | C7 | C6 | N5 | 0.5° | 0.4° |
| C8 | C9 | C10 | N5 | 178.8° | 179.9° |
| C8 | C9 | C10 | C11 | 2.3° | 85.0° |
| C8 | C9 | N5 | C6 | 0.6° | 0.2° |
| C8 | C9 | N5 | B | 179.3° | 180.0° |
| C9 | C8 | C7 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | H7 | 123.0° | 155.1° |
| C8 | C9 | C10 | H8 | 118.3° | 35.0° |
| C9 | C10 | C11 | H7 | 120.7° | 120.0° |
| C9 | C10 | C11 | H8 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 177.4° | 180.0° |
| C10 | C9 | N5 | C6 | 178.4° | 179.7° |
| C10 | C9 | N5 | B | 1.7° | 0.1° |
| C10 | C9 | C8 | H6 | 1.4° | 0.0° |
| C9 | C10 | H7 | H8 | 118.0° | 120.0° |
| C9 | C10 | C11 | H10 | 62.3° | 60.0° |
| C9 | C10 | C11 | H9 | 57.1° | 60.0° |
| C10 | C11 | C12 | H10 | 120.3° | 120.0° |
| C10 | C11 | C12 | H9 | 120.3° | 120.0° |
| C10 | C11 | C12 | O | 91.1° | 0.1° |
| C10 | C11 | C12 | N1 | 88.2° | 180.0° |
| C11 | C10 | C9 | N5 | 178.9° | 95.0° |
| C11 | C10 | H7 | H8 | 118.0° | 120.0° |
| C10 | C11 | H10 | H9 | 119.1° | 120.0° |
| C11 | C12 | O | N1 | 179.2° | 179.9° |
| C11 | C12 | N1 | C13 | 179.8° | 179.7° |
| C11 | C12 | N1 | H11 | 0.2° | 0.0° |
| C12 | C11 | C10 | H7 | 56.7° | 60.0° |
| C12 | C11 | C10 | H8 | 62.0° | 60.0° |
| C12 | C11 | H10 | H9 | 119.1° | 120.0° |
| O | C12 | N1 | C13 | 0.5° | 0.3° |
| O | C12 | N1 | H11 | 179.5° | 180.0° |
| O | C12 | C11 | H10 | 29.2° | 120.0° |
| O | C12 | C11 | H9 | 148.6° | 120.1° |
| C12 | N1 | C13 | H11 | 180.0° | 179.7° |
| C12 | N1 | C13 | C14 | 169.1° | 180.0° |
| N1 | C12 | C11 | H10 | 151.5° | 60.0° |
| N1 | C12 | C11 | H9 | 32.1° | 60.0° |
| C12 | N1 | C13 | H12 | 48.7° | 60.1° |
| C12 | N1 | C13 | H13 | 70.6° | 60.0° |
| N1 | C13 | C14 | H12 | 120.4° | 119.9° |
| N1 | C13 | C14 | H13 | 120.4° | 120.0° |
| N1 | C13 | C14 | O1 | 70.8° | 65.0° |
| N1 | C13 | H12 | H13 | 118.9° | 120.0° |
| N1 | C13 | C14 | H14 | 48.8° | 55.1° |
| N1 | C13 | C14 | H15 | 169.5° | 175.0° |
| C13 | C14 | O1 | H14 | 119.6° | 120.0° |
| C13 | C14 | O1 | H15 | 119.6° | 120.0° |
| C13 | C14 | O1 | C15 | 175.7° | 180.0° |
| C14 | C13 | N1 | H11 | 10.9° | 0.3° |
| C14 | C13 | H12 | H13 | 118.9° | 120.0° |
| C13 | C14 | H14 | H15 | 121.0° | 120.0° |
| C14 | O1 | C15 | C16 | 0.5° | 0.0° |
| C14 | O1 | C15 | C20 | 178.8° | 179.7° |
| O1 | C14 | C13 | H12 | 168.8° | 54.9° |
| O1 | C14 | C13 | H13 | 49.5° | 175.0° |
| O1 | C14 | H14 | H15 | 121.0° | 120.0° |
| O1 | C15 | C16 | C20 | 179.3° | 179.8° |
| O1 | C15 | C16 | C17 | 179.4° | 179.9° |
| O1 | C15 | C20 | C19 | 179.6° | 179.7° |
| O1 | C15 | C20 | C21 | 2.4° | 0.2° |
| C15 | O1 | C14 | H14 | 64.7° | 59.9° |
| C15 | O1 | C14 | H15 | 56.0° | 60.0° |
| O1 | C15 | C16 | H16 | 0.6° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C15 | C20 | C19 | 0.2° | 0.6° |
| C16 | C15 | C20 | C21 | 176.9° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C15 | C20 | 0.1° | 0.3° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.4° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.6° |
| C18 | C19 | C20 | C15 | 0.3° | 0.6° |
| C18 | C19 | C20 | C21 | 176.9° | 179.9° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C19 | C20 | C15 | C21 | 177.2° | 179.4° |
| C19 | C20 | C21 | C22 | 83.9° | 95.0° |
| C20 | C19 | C18 | H18 | 179.8° | 179.7° |
| C19 | C20 | C21 | H20 | 155.7° | 25.0° |
| C19 | C20 | C21 | H21 | 36.5° | 145.0° |
| C15 | C20 | C21 | C22 | 93.2° | 84.4° |
| C20 | C15 | C16 | H16 | 179.9° | 179.7° |
| C15 | C20 | C19 | H19 | 179.7° | 179.7° |
| C15 | C20 | C21 | H20 | 27.2° | 155.6° |
| C15 | C20 | C21 | H21 | 146.4° | 35.5° |
| C20 | C21 | C22 | H20 | 120.4° | 119.9° |
| C20 | C21 | C22 | H21 | 120.4° | 120.0° |
| C20 | C21 | C22 | C23 | 178.1° | 175.0° |
| C20 | C21 | C22 | C25 | 74.2° | 87.3° |
| C21 | C20 | C19 | H19 | 3.1° | 0.3° |
| C20 | C21 | H20 | H21 | 118.8° | 120.1° |
| C20 | C21 | C22 | H22 | 52.4° | 44.0° |
| C21 | C22 | C23 | C25 | 119.6° | 114.6° |
| C21 | C22 | C23 | H22 | 129.6° | 130.7° |
| C21 | C22 | C23 | C24 | 145.5° | 139.3° |
| C21 | C22 | C25 | C24 | 148.4° | 139.2° |
| C21 | C22 | C25 | H22 | 126.7° | 130.8° |
| C22 | C21 | H20 | H21 | 118.9° | 120.0° |
| C21 | C22 | C23 | H23 | 29.8° | 24.8° |
| C21 | C22 | C23 | H24 | 98.8° | 106.3° |
| C21 | C22 | C25 | H26 | 32.7° | 106.3° |
| C21 | C22 | C25 | H25 | 95.9° | 24.7° |
| C22 | C23 | C24 | H23 | 115.7° | 114.5° |
| C22 | C23 | C24 | H24 | 115.7° | 114.4° |
| C23 | C22 | C25 | C24 | 25.9° | 24.7° |
| C23 | C22 | C25 | H22 | 110.8° | 114.6° |
| C22 | C23 | C24 | C26 | 152.1° | 150.9° |
| C22 | C23 | C24 | C27 | 99.5° | 101.2° |
| C23 | C22 | C21 | H20 | 57.8° | 65.0° |
| C23 | C22 | C21 | H21 | 61.5° | 55.0° |
| C22 | C23 | H23 | H24 | 131.3° | 131.4° |
| C23 | C22 | C25 | H26 | 89.8° | 139.2° |
| C23 | C22 | C25 | H25 | 141.6° | 89.8° |
| C23 | C24 | C25 | C26 | 125.3° | 126.1° |
| C23 | C24 | C25 | C27 | 126.9° | 126.1° |
| C23 | C24 | C26 | C27 | 126.4° | 125.5° |
| C23 | C24 | C26 | N2 | 135.6° | 148.5° |
| C23 | C24 | C27 | N2 | 134.2° | 148.5° |
| C24 | C23 | C22 | H22 | 84.9° | 90.1° |
| C24 | C23 | H23 | H24 | 131.4° | 131.5° |
| C23 | C24 | C25 | H26 | 89.7° | 139.3° |
| C23 | C24 | C25 | H25 | 141.7° | 89.7° |
| C23 | C24 | C26 | H27 | 108.2° | 34.3° |
| C23 | C24 | C26 | H28 | 19.4° | 97.2° |
| C23 | C24 | C27 | H29 | 109.5° | 97.3° |
| C23 | C24 | C27 | H30 | 18.0° | 34.4° |
| C24 | C25 | C22 | H26 | 115.7° | 114.5° |
| C24 | C25 | C22 | H25 | 115.7° | 114.5° |
| C25 | C24 | C26 | C27 | 124.8° | 125.5° |
| C25 | C24 | C26 | N2 | 115.6° | 102.5° |
| C25 | C24 | C27 | N2 | 116.4° | 102.5° |
| C24 | C25 | C22 | H22 | 84.9° | 89.9° |
| C25 | C24 | C23 | H23 | 89.7° | 89.6° |
| C25 | C24 | C23 | H24 | 141.7° | 139.2° |
| C24 | C25 | H26 | H25 | 131.4° | 131.4° |
| C25 | C24 | C26 | H27 | 0.7° | 143.3° |
| C25 | C24 | C26 | H28 | 128.2° | 11.8° |
| C25 | C24 | C27 | H29 | 0.1° | 11.7° |
| C25 | C24 | C27 | H30 | 127.4° | 143.4° |
| C22 | C25 | C24 | C26 | 151.2° | 150.9° |
| C22 | C25 | C24 | C27 | 100.9° | 101.2° |
| C25 | C22 | C21 | H20 | 46.1° | 32.7° |
| C25 | C22 | C21 | H21 | 165.4° | 152.7° |
| C25 | C22 | C23 | H23 | 89.8° | 89.8° |
| C25 | C22 | C23 | H24 | 141.6° | 139.1° |
| C22 | C25 | H26 | H25 | 131.4° | 131.4° |
| C24 | C26 | N2 | H27 | 116.2° | 114.2° |
| C24 | C26 | N2 | H28 | 116.2° | 114.2° |
| C26 | C24 | C27 | N2 | 9.2° | 23.0° |
| C24 | C26 | N2 | C28 | 147.2° | 155.8° |
| C26 | C24 | C23 | H23 | 36.4° | 36.4° |
| C26 | C24 | C23 | H24 | 92.2° | 94.7° |
| C26 | C24 | C25 | H26 | 35.6° | 94.6° |
| C26 | C24 | C25 | H25 | 93.1° | 36.4° |
| C24 | C26 | H27 | H28 | 130.1° | 131.9° |
| C26 | C24 | C27 | H29 | 125.5° | 137.2° |
| C26 | C24 | C27 | H30 | 107.0° | 91.2° |
| C26 | N2 | C27 | C28 | 144.7° | 179.7° |
| C26 | N2 | C28 | O2 | 144.3° | 179.6° |
| C26 | N2 | C28 | N3 | 35.2° | 0.4° |
| N2 | C26 | H27 | H28 | 130.1° | 132.0° |
| C26 | N2 | C27 | H29 | 126.0° | 138.1° |
| C26 | N2 | C27 | H30 | 106.5° | 90.3° |
| N2 | C27 | C24 | H29 | 116.2° | 114.2° |
| N2 | C27 | C24 | H30 | 116.2° | 114.1° |
| C27 | N2 | C28 | O2 | 15.4° | 0.0° |
| C27 | N2 | C28 | N3 | 164.2° | 180.0° |
| C27 | N2 | C26 | H27 | 126.0° | 90.3° |
| C27 | N2 | C26 | H28 | 106.5° | 138.1° |
| N2 | C27 | H29 | H30 | 130.0° | 131.9° |
| C24 | C27 | N2 | C28 | 154.5° | 155.8° |
| C27 | C24 | C23 | H23 | 144.8° | 144.3° |
| C27 | C24 | C23 | H24 | 16.1° | 13.2° |
| C27 | C24 | C25 | H26 | 143.4° | 13.3° |
| C27 | C24 | C25 | H25 | 14.8° | 144.3° |
| C27 | C24 | C26 | H27 | 125.4° | 91.2° |
| C27 | C24 | C26 | H28 | 107.0° | 137.3° |
| C24 | C27 | H29 | H30 | 130.0° | 131.9° |
| N2 | C28 | O2 | N3 | 179.5° | 180.0° |
| N2 | C28 | N3 | C29 | 162.7° | 180.0° |
| N2 | C28 | N3 | C33 | 12.7° | 0.4° |
| C28 | N2 | C26 | H27 | 96.6° | 90.0° |
| C28 | N2 | C26 | H28 | 31.0° | 41.6° |
| C28 | N2 | C27 | H29 | 89.3° | 41.6° |
| C28 | N2 | C27 | H30 | 38.2° | 90.0° |
| O2 | C28 | N3 | C29 | 17.8° | 0.0° |
| O2 | C28 | N3 | C33 | 167.7° | 179.6° |
| C28 | N3 | C29 | C33 | 159.8° | 179.7° |
| C28 | N3 | C29 | C30 | 162.3° | 154.0° |
| C28 | N3 | C33 | C30 | 157.7° | 154.0° |
| C28 | N3 | C29 | H32 | 81.6° | 39.2° |
| C28 | N3 | C29 | H31 | 46.0° | 91.3° |
| C28 | N3 | C33 | H37 | 86.0° | 91.3° |
| C28 | N3 | C33 | H36 | 41.5° | 39.4° |
| N3 | C29 | C30 | H32 | 116.2° | 114.7° |
| N3 | C29 | C30 | H31 | 116.2° | 114.7° |
| N3 | C29 | C30 | C31 | 120.6° | 142.2° |
| N3 | C29 | C30 | N4 | 122.6° | 92.4° |
| C29 | N3 | C33 | C30 | 2.4° | 26.2° |
| N3 | C29 | H32 | H31 | 130.1° | 130.9° |
| C29 | N3 | C33 | H37 | 118.6° | 88.5° |
| C29 | N3 | C33 | H36 | 113.8° | 140.9° |
| C29 | C30 | C31 | N4 | 125.3° | 131.2° |
| C29 | C30 | C31 | C33 | 102.1° | 97.4° |
| C29 | C30 | C31 | O3 | 111.6° | 131.2° |
| C29 | C30 | N4 | C32 | 113.0° | 130.9° |
| C29 | C30 | N4 | C33 | 105.3° | 98.1° |
| C29 | C30 | N4 | H35 | 67.0° | 49.1° |
| C30 | C29 | H32 | H31 | 130.1° | 131.0° |
| C29 | C30 | C31 | H34 | 7.9° | 110.3° |
| C29 | C30 | C31 | H33 | 129.0° | 12.7° |
| C29 | C30 | C33 | H37 | 118.5° | 89.4° |
| C29 | C30 | C33 | H36 | 114.0° | 139.9° |
| C30 | C31 | O3 | H34 | 119.4° | 118.5° |
| C30 | C31 | O3 | H33 | 119.4° | 118.5° |
| C30 | C31 | O3 | C32 | 11.2° | 0.0° |
| C31 | C30 | N4 | C32 | 12.9° | 0.0° |
| C31 | C30 | N4 | C33 | 128.8° | 130.9° |
| C31 | C30 | C33 | N3 | 121.2° | 142.4° |
| C31 | C30 | N4 | H35 | 167.2° | 180.0° |
| C31 | C30 | C29 | H32 | 123.2° | 103.1° |
| C31 | C30 | C29 | H31 | 4.4° | 27.5° |
| C30 | C31 | H34 | H33 | 121.6° | 123.0° |
| C31 | C30 | C33 | H37 | 122.6° | 27.4° |
| C31 | C30 | C33 | H36 | 4.9° | 103.2° |
| C31 | O3 | C32 | O4 | 179.7° | 180.0° |
| C31 | O3 | C32 | N4 | 3.2° | 0.0° |
| O3 | C31 | C30 | N4 | 13.8° | 0.0° |
| O3 | C31 | C30 | C33 | 146.4° | 131.4° |
| O3 | C31 | H34 | H33 | 121.6° | 123.0° |
| O3 | C32 | O4 | N4 | 176.6° | 180.0° |
| O3 | C32 | N4 | C30 | 6.8° | 0.0° |
| O3 | C32 | N4 | H35 | 173.2° | 180.0° |
| C32 | O3 | C31 | H34 | 130.6° | 118.5° |
| C32 | O3 | C31 | H33 | 108.3° | 118.5° |
| O4 | C32 | N4 | C30 | 170.0° | 180.0° |
| O4 | C32 | N4 | H35 | 10.0° | 0.1° |
| C32 | N4 | C30 | H35 | 180.0° | 180.0° |
| C32 | N4 | C30 | C33 | 141.7° | 130.9° |
| N4 | C30 | C33 | N3 | 117.4° | 92.2° |
| N4 | C30 | C29 | H32 | 6.4° | 22.3° |
| N4 | C30 | C29 | H31 | 121.2° | 152.9° |
| N4 | C30 | C31 | H34 | 133.2° | 118.5° |
| N4 | C30 | C31 | H33 | 105.7° | 118.5° |
| N4 | C30 | C33 | H37 | 1.2° | 152.9° |
| N4 | C30 | C33 | H36 | 126.4° | 22.3° |
| C30 | C33 | N3 | H37 | 116.2° | 114.7° |
| C30 | C33 | N3 | H36 | 116.2° | 114.6° |
| C33 | C30 | N4 | H35 | 38.3° | 49.0° |
| C33 | C30 | C29 | H32 | 118.5° | 140.1° |
| C33 | C30 | C29 | H31 | 113.9° | 89.2° |
| C33 | C30 | C31 | H34 | 94.2° | 12.9° |
| C33 | C30 | C31 | H33 | 26.9° | 110.0° |
| C30 | C33 | H37 | H36 | 130.1° | 131.0° |
| C33 | N3 | C29 | H32 | 118.6° | 141.1° |
| C33 | N3 | C29 | H31 | 113.8° | 88.4° |
| N3 | C33 | H37 | H36 | 130.1° | 130.9° |
| C9 | N5 | C6 | B | 179.9° | 179.8° |
| C9 | N5 | B | N | 176.7° | 179.4° |
| C9 | N5 | B | F | 64.5° | 57.4° |
| C9 | N5 | B | F1 | 56.3° | 58.6° |
| N5 | C9 | C8 | H6 | 179.7° | 180.0° |
| N5 | C9 | C10 | H7 | 58.2° | 25.0° |
| N5 | C9 | C10 | H8 | 60.5° | 145.1° |
| C6 | N5 | B | N | 3.5° | 0.5° |
| C6 | N5 | B | F | 115.4° | 122.4° |
| C6 | N5 | B | F1 | 123.8° | 121.6° |
| N5 | C6 | C7 | H5 | 179.5° | 179.8° |
| N5 | C6 | C5 | H4 | 179.8° | 179.5° |
| N5 | B | N | F | 118.9° | 121.9° |
| N5 | B | N | F1 | 120.2° | 122.0° |
| N5 | B | F | F1 | 121.3° | 116.2° |
| N | B | F | F1 | 121.5° | 116.2° |
| B | N | C3 | C34 | 2.0° | 0.7° |
| C34 | C3 | C2 | H3 | 0.2° | 0.0° |
| C3 | C34 | H40 | H39 | 120.0° | 120.0° |
| C3 | C34 | H40 | H38 | 120.0° | 120.0° |
| C3 | C34 | H39 | H38 | 120.0° | 120.0° |
| H11 | N1 | C13 | H12 | 131.3° | 120.2° |
| H11 | N1 | C13 | H13 | 109.4° | 119.7° |
| H5 | C7 | C8 | H6 | 0.1° | 0.0° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H7 | C10 | C11 | H10 | 177.0° | 180.0° |
| H7 | C10 | C11 | H9 | 63.6° | 60.0° |
| H8 | C10 | C11 | H10 | 58.3° | 60.0° |
| H8 | C10 | C11 | H9 | 177.7° | 180.0° |
| H12 | C13 | C14 | H14 | 71.6° | 175.0° |
| H12 | C13 | C14 | H15 | 49.2° | 65.1° |
| H13 | C13 | C14 | H14 | 169.2° | 65.0° |
| H13 | C13 | C14 | H15 | 70.1° | 55.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H20 | C21 | C22 | H22 | 172.7° | 163.9° |
| H21 | C21 | C22 | H22 | 68.0° | 76.1° |
| H22 | C22 | C23 | H23 | 159.4° | 155.5° |
| H22 | C22 | C23 | H24 | 30.8° | 24.4° |
| H22 | C22 | C25 | H26 | 159.4° | 24.6° |
| H22 | C22 | C25 | H25 | 30.8° | 155.6° |
| H40 | C34 | H39 | H38 | 120.0° | 120.0° |
