A1AH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.38Å | 1.37Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | |
| C8 | C9 | sing | 1.40Å | 1.43Å | |
| C9 | N2 | sing | 1.35Å | 1.40Å | |
| N2 | C10 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | C12 | doub | 1.35Å | 1.38Å | |
| N2 | C13 | sing | 1.46Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C16 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C17 | sing | 1.34Å | 1.35Å | |
| C17 | O1 | doub | 1.22Å | 1.22Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| N5 | C22 | sing | 1.38Å | 1.34Å | |
| C22 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C23 | sing | 1.34Å | 1.33Å | Aromatic |
| C23 | C24 | doub | 1.34Å | 1.37Å | Aromatic |
| C24 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | C25 | sing | 1.34Å | 1.36Å | Aromatic |
| C25 | N8 | doub | 1.31Å | 1.35Å | Aromatic |
| N8 | C26 | sing | 1.33Å | 1.35Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.55Å | 1.55Å | |
| C7 | C12 | sing | 1.41Å | 1.39Å | |
| N3 | C17 | sing | 1.34Å | 1.37Å | |
| C16 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C27 | sing | 1.41Å | 1.43Å | Aromatic |
| N7 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C31 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 116.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 107.7° | 109.5° |
| C1 | C2 | H5 | 107.7° | 109.4° |
| C2 | C3 | C4 | 110.2° | 111.0° |
| C2 | C3 | C28 | 106.5° | 110.9° |
| C2 | C3 | C6 | 114.8° | 111.0° |
| C3 | C2 | H4 | 107.7° | 109.5° |
| C3 | C2 | H5 | 107.7° | 109.5° |
| C3 | C4 | C5 | 103.7° | 103.0° |
| C4 | C3 | C28 | 114.6° | 111.0° |
| C4 | C3 | C6 | 99.3° | 101.6° |
| C3 | C4 | H7 | 110.9° | 110.7° |
| C3 | C4 | H6 | 110.9° | 110.7° |
| C4 | C5 | N1 | 101.6° | 107.2° |
| C5 | C4 | H7 | 110.9° | 110.7° |
| C5 | C4 | H6 | 110.9° | 110.7° |
| C4 | C5 | H8 | 111.4° | 109.9° |
| C4 | C5 | H9 | 111.4° | 109.9° |
| C5 | N1 | C6 | 112.0° | 108.7° |
| C5 | N1 | C7 | 123.7° | 125.7° |
| N1 | C5 | H8 | 111.4° | 109.9° |
| N1 | C5 | H9 | 111.4° | 109.9° |
| C6 | N1 | C7 | 124.3° | 125.6° |
| N1 | C6 | C3 | 103.4° | 104.8° |
| N1 | C6 | H11 | 110.9° | 110.4° |
| N1 | C6 | H10 | 111.0° | 110.4° |
| N1 | C7 | C8 | 120.5° | 120.5° |
| N1 | C7 | C12 | 119.6° | 120.5° |
| C7 | C8 | C9 | 120.5° | 119.1° |
| C8 | C7 | C12 | 119.9° | 119.0° |
| C7 | C8 | H12 | 119.8° | 120.5° |
| C8 | C9 | N2 | 117.6° | 120.2° |
| C8 | C9 | O2 | 124.1° | 119.9° |
| C9 | C8 | H12 | 119.7° | 120.4° |
| C9 | N2 | C10 | 121.1° | 121.1° |
| C9 | N2 | C13 | 118.4° | 119.5° |
| N2 | C9 | O2 | 118.3° | 119.9° |
| N2 | C10 | C11 | 117.7° | 119.5° |
| N2 | C10 | C12 | 120.4° | 120.9° |
| C10 | N2 | C13 | 120.5° | 119.4° |
| C11 | C10 | C12 | 121.8° | 119.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C12 | C7 | 120.5° | 119.8° |
| C10 | C12 | H16 | 119.7° | 120.1° |
| N2 | C13 | C14 | 113.0° | 109.5° |
| N2 | C13 | H17 | 108.5° | 109.5° |
| N2 | C13 | H18 | 108.6° | 109.5° |
| C13 | C14 | N3 | 114.2° | 109.5° |
| C14 | C13 | H17 | 108.6° | 109.4° |
| C14 | C13 | H18 | 108.6° | 109.4° |
| C13 | C14 | H19 | 108.3° | 109.5° |
| C13 | C14 | H20 | 108.3° | 109.5° |
| C14 | N3 | C15 | 123.2° | 125.4° |
| C14 | N3 | C17 | 124.0° | 125.4° |
| N3 | C14 | H19 | 108.3° | 109.5° |
| N3 | C14 | H20 | 108.3° | 109.5° |
| N3 | C15 | C16 | 102.7° | 103.7° |
| C15 | N3 | C17 | 112.6° | 109.1° |
| N3 | C15 | H22 | 111.1° | 110.6° |
| N3 | C15 | H21 | 111.1° | 110.7° |
| C15 | C16 | N4 | 102.6° | 104.3° |
| C15 | C16 | C18 | 112.9° | 110.2° |
| C15 | C16 | C21 | 112.3° | 110.2° |
| C16 | C15 | H22 | 111.2° | 110.6° |
| C16 | C15 | H21 | 111.1° | 110.6° |
| C16 | N4 | C17 | 113.1° | 109.0° |
| N4 | C16 | C18 | 110.8° | 110.6° |
| N4 | C16 | C21 | 110.9° | 110.6° |
| C16 | N4 | H23 | 123.5° | 125.5° |
| N4 | C17 | O1 | 127.1° | 123.1° |
| N4 | C17 | N3 | 107.6° | 113.9° |
| C17 | N4 | H23 | 123.4° | 125.5° |
| O1 | C17 | N3 | 125.3° | 123.0° |
| C16 | C18 | C19 | 110.6° | 109.5° |
| C18 | C16 | C21 | 107.4° | 110.8° |
| C16 | C18 | H25 | 109.2° | 109.5° |
| C16 | C18 | H24 | 109.2° | 109.5° |
| C18 | C19 | N5 | 113.3° | 108.7° |
| C19 | C18 | H25 | 109.2° | 109.5° |
| C19 | C18 | H24 | 109.2° | 109.4° |
| C18 | C19 | H26 | 108.5° | 109.6° |
| C18 | C19 | H27 | 108.5° | 109.6° |
| C19 | N5 | C20 | 115.4° | 118.8° |
| C19 | N5 | C22 | 118.9° | 120.6° |
| N5 | C19 | H26 | 108.5° | 109.6° |
| N5 | C19 | H27 | 108.5° | 109.6° |
| N5 | C20 | C21 | 113.8° | 108.7° |
| C20 | N5 | C22 | 125.1° | 120.6° |
| N5 | C20 | H28 | 108.4° | 109.6° |
| N5 | C20 | H29 | 108.4° | 109.8° |
| C20 | C21 | C16 | 111.4° | 109.4° |
| C21 | C20 | H28 | 108.4° | 109.5° |
| C21 | C20 | H29 | 108.4° | 109.5° |
| C20 | C21 | H31 | 109.0° | 109.5° |
| C20 | C21 | H30 | 109.0° | 109.5° |
| N5 | C22 | N6 | 117.7° | 120.3° |
| N5 | C22 | C27 | 121.2° | 120.3° |
| C22 | N6 | C23 | 118.4° | 121.3° |
| N6 | C22 | C27 | 120.9° | 119.4° |
| N6 | C23 | C24 | 123.7° | 121.7° |
| N6 | C23 | H32 | 118.1° | 119.2° |
| C23 | C24 | N7 | 119.9° | 119.8° |
| C24 | C23 | H32 | 118.2° | 119.1° |
| C23 | C24 | H33 | 120.0° | 120.1° |
| C24 | N7 | C25 | 135.3° | 134.2° |
| C24 | N7 | C27 | 117.2° | 118.7° |
| N7 | C24 | H33 | 120.0° | 120.1° |
| N7 | C25 | N8 | 110.6° | 109.3° |
| C25 | N7 | C27 | 107.5° | 107.1° |
| N7 | C25 | H34 | 124.7° | 125.4° |
| C25 | N8 | C26 | 106.1° | 109.9° |
| N8 | C25 | H34 | 124.7° | 125.3° |
| N8 | C26 | C27 | 111.0° | 107.5° |
| N8 | C26 | H35 | 124.5° | 126.3° |
| C26 | C27 | C22 | 135.4° | 134.7° |
| C26 | C27 | N7 | 104.8° | 106.3° |
| C27 | C26 | H35 | 124.5° | 126.3° |
| C3 | C28 | C29 | 119.3° | 120.0° |
| C28 | C3 | C6 | 111.6° | 111.0° |
| C3 | C28 | C33 | 123.1° | 120.0° |
| C28 | C29 | C30 | 121.1° | 120.0° |
| C29 | C28 | C33 | 117.6° | 120.0° |
| C28 | C29 | H36 | 119.5° | 120.0° |
| C29 | C30 | C31 | 120.2° | 120.0° |
| C30 | C29 | H36 | 119.5° | 120.0° |
| C29 | C30 | H37 | 119.9° | 120.0° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C31 | C30 | H37 | 119.9° | 120.0° |
| C30 | C31 | H38 | 120.0° | 120.0° |
| C31 | C32 | C33 | 120.2° | 120.0° |
| C32 | C31 | H38 | 120.1° | 120.0° |
| C31 | C32 | H39 | 119.9° | 120.1° |
| C32 | C33 | C28 | 121.0° | 120.0° |
| C33 | C32 | H39 | 119.9° | 120.0° |
| C32 | C33 | H40 | 119.5° | 120.0° |
| C3 | C6 | H11 | 111.0° | 110.4° |
| C3 | C6 | H10 | 111.0° | 110.4° |
| C7 | C12 | H16 | 119.8° | 120.1° |
| C16 | C21 | H31 | 109.0° | 109.4° |
| C16 | C21 | H30 | 109.0° | 109.5° |
| C22 | C27 | N7 | 119.9° | 119.0° |
| C28 | C33 | H40 | 119.5° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H15 | C11 | H13 | 109.5° | 109.5° |
| H15 | C11 | H14 | 109.4° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H22 | C15 | H21 | 109.5° | 110.5° |
| H25 | C18 | H24 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.7° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.6° |
| H31 | C21 | H30 | 109.5° | 109.5° |
| H7 | C4 | H6 | 109.4° | 110.7° |
| H8 | C5 | H9 | 109.4° | 110.0° |
| H11 | C6 | H10 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 121.0° | 120.0° |
| C1 | C2 | C3 | H5 | 121.0° | 120.0° |
| C1 | C2 | C3 | C4 | 64.7° | 176.1° |
| C1 | C2 | C3 | C28 | 170.5° | 52.2° |
| C1 | C2 | C3 | C6 | 46.4° | 71.6° |
| 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 | H4 | H5 | 116.9° | 120.0° |
| C2 | C3 | C4 | C28 | 120.1° | 123.8° |
| C2 | C3 | C4 | C6 | 120.9° | 118.1° |
| C2 | C3 | C4 | C5 | 165.4° | 82.6° |
| C2 | C3 | C6 | N1 | 151.4° | 81.1° |
| C2 | C3 | C28 | C6 | 126.0° | 123.9° |
| C2 | C3 | C28 | C29 | 70.1° | 66.4° |
| C2 | C3 | C28 | C33 | 108.7° | 113.9° |
| C3 | C2 | C1 | H1 | 180.0° | 64.6° |
| C3 | C2 | C1 | H2 | 60.0° | 55.4° |
| C3 | C2 | C1 | H3 | 60.0° | 175.4° |
| C3 | C2 | H4 | H5 | 116.8° | 120.1° |
| C2 | C3 | C4 | H7 | 46.3° | 35.8° |
| C2 | C3 | C4 | H6 | 75.5° | 159.0° |
| C2 | C3 | C6 | H11 | 32.4° | 160.1° |
| C2 | C3 | C6 | H10 | 89.5° | 37.8° |
| C3 | C4 | C5 | H7 | 119.1° | 118.4° |
| C3 | C4 | C5 | H6 | 119.1° | 118.4° |
| C3 | C4 | C5 | N1 | 37.6° | 22.2° |
| C4 | C3 | C6 | N1 | 34.0° | 37.0° |
| C4 | C3 | C28 | C6 | 111.9° | 112.2° |
| C4 | C3 | C28 | C29 | 167.8° | 57.5° |
| C4 | C3 | C28 | C33 | 13.4° | 122.2° |
| C4 | C3 | C2 | H4 | 56.4° | 63.9° |
| C4 | C3 | C2 | H5 | 174.3° | 56.1° |
| C3 | C4 | H7 | H6 | 122.7° | 123.2° |
| C3 | C4 | C5 | H8 | 156.3° | 97.2° |
| C3 | C4 | C5 | H9 | 81.1° | 141.6° |
| C4 | C3 | C6 | H11 | 85.0° | 81.8° |
| C4 | C3 | C6 | H10 | 153.0° | 155.9° |
| C4 | C5 | N1 | H8 | 118.8° | 119.4° |
| C4 | C5 | N1 | H9 | 118.8° | 119.4° |
| C4 | C5 | N1 | C6 | 15.6° | 1.1° |
| C4 | C5 | N1 | C7 | 164.2° | 178.9° |
| C5 | C4 | C3 | C28 | 74.5° | 153.6° |
| C5 | C4 | C3 | C6 | 44.5° | 35.5° |
| C5 | C4 | H7 | H6 | 122.7° | 123.2° |
| C4 | C5 | H8 | H9 | 123.7° | 121.1° |
| C5 | N1 | C6 | C7 | 179.8° | 180.0° |
| C5 | N1 | C7 | C8 | 173.7° | 180.0° |
| C5 | N1 | C6 | C3 | 12.1° | 24.1° |
| C5 | N1 | C7 | C12 | 5.9° | 0.0° |
| N1 | C5 | C4 | H7 | 81.5° | 140.6° |
| N1 | C5 | C4 | H6 | 156.7° | 96.2° |
| N1 | C5 | H8 | H9 | 123.6° | 121.2° |
| C5 | N1 | C6 | H11 | 106.9° | 94.7° |
| C5 | N1 | C6 | H10 | 131.1° | 143.0° |
| C6 | N1 | C7 | C8 | 6.2° | 0.0° |
| N1 | C6 | C3 | C28 | 87.3° | 155.1° |
| N1 | C6 | C3 | H11 | 119.0° | 118.8° |
| N1 | C6 | C3 | H10 | 119.0° | 118.9° |
| C6 | N1 | C7 | C12 | 174.3° | 180.0° |
| C6 | N1 | C5 | H8 | 134.4° | 120.5° |
| C6 | N1 | C5 | H9 | 103.1° | 118.3° |
| N1 | C6 | H11 | H10 | 122.8° | 122.4° |
| N1 | C7 | C8 | C12 | 179.5° | 180.0° |
| N1 | C7 | C8 | C9 | 180.0° | 180.0° |
| N1 | C7 | C12 | C10 | 179.7° | 180.0° |
| C7 | N1 | C6 | C3 | 168.1° | 155.9° |
| N1 | C7 | C12 | H16 | 0.4° | 0.1° |
| C7 | N1 | C5 | H8 | 45.4° | 59.5° |
| C7 | N1 | C5 | H9 | 77.1° | 61.7° |
| C7 | N1 | C6 | H11 | 72.9° | 85.3° |
| C7 | N1 | C6 | H10 | 49.0° | 37.0° |
| N1 | C7 | C8 | H12 | 0.0° | 0.1° |
| C7 | C8 | C9 | H12 | 180.0° | 179.9° |
| C7 | C8 | C9 | N2 | 0.5° | 0.3° |
| C8 | C7 | C12 | C10 | 0.1° | 0.1° |
| C7 | C8 | C9 | O2 | 179.8° | 179.9° |
| C8 | C7 | C12 | H16 | 179.9° | 180.0° |
| C8 | C9 | N2 | O2 | 179.7° | 179.8° |
| C8 | C9 | N2 | C10 | 0.2° | 0.5° |
| C8 | C9 | N2 | C13 | 179.9° | 180.0° |
| C9 | C8 | C7 | C12 | 0.5° | 0.0° |
| C9 | N2 | C10 | C13 | 179.9° | 179.5° |
| C9 | N2 | C10 | C11 | 179.6° | 179.8° |
| C9 | N2 | C10 | C12 | 0.2° | 0.5° |
| C9 | N2 | C13 | C14 | 101.8° | 90.0° |
| C9 | N2 | C13 | H17 | 137.7° | 30.0° |
| C9 | N2 | C13 | H18 | 18.7° | 150.0° |
| N2 | C9 | C8 | H12 | 179.5° | 179.8° |
| N2 | C10 | C11 | C12 | 179.4° | 179.7° |
| C10 | N2 | C13 | C14 | 78.3° | 90.5° |
| C10 | N2 | C9 | O2 | 179.9° | 179.7° |
| N2 | C10 | C12 | C7 | 0.2° | 0.3° |
| N2 | C10 | C11 | H15 | 180.0° | 179.7° |
| N2 | C10 | C11 | H13 | 60.0° | 60.2° |
| N2 | C10 | C11 | H14 | 60.0° | 59.7° |
| N2 | C10 | C12 | H16 | 179.8° | 179.8° |
| C10 | N2 | C13 | H17 | 42.3° | 149.5° |
| C10 | N2 | C13 | H18 | 161.2° | 29.5° |
| C11 | C10 | N2 | C13 | 0.3° | 0.3° |
| C11 | C10 | C12 | C7 | 179.6° | 180.0° |
| C10 | C11 | H15 | H13 | 120.0° | 120.1° |
| C10 | C11 | H15 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C11 | C10 | C12 | H16 | 0.3° | 0.1° |
| C12 | C10 | N2 | C13 | 179.7° | 180.0° |
| C10 | C12 | C7 | H16 | 180.0° | 179.9° |
| C12 | C10 | C11 | H15 | 0.6° | 0.0° |
| C12 | C10 | C11 | H13 | 119.4° | 120.1° |
| C12 | C10 | C11 | H14 | 120.6° | 120.0° |
| N2 | C13 | C14 | H17 | 120.5° | 120.0° |
| N2 | C13 | C14 | H18 | 120.5° | 120.0° |
| N2 | C13 | C14 | N3 | 84.5° | 180.0° |
| C13 | N2 | C9 | O2 | 0.2° | 0.2° |
| N2 | C13 | H17 | H18 | 118.4° | 120.1° |
| N2 | C13 | C14 | H19 | 36.2° | 59.9° |
| N2 | C13 | C14 | H20 | 154.8° | 60.0° |
| C13 | C14 | N3 | H19 | 120.7° | 120.0° |
| C13 | C14 | N3 | H20 | 120.7° | 120.0° |
| C13 | C14 | N3 | C15 | 42.9° | 90.0° |
| C13 | C14 | N3 | C17 | 141.7° | 90.1° |
| C14 | C13 | H17 | H18 | 118.4° | 119.9° |
| C13 | C14 | H19 | H20 | 117.8° | 120.0° |
| C14 | N3 | C15 | C17 | 175.9° | 179.9° |
| C14 | N3 | C15 | C16 | 171.7° | 179.9° |
| C14 | N3 | C17 | N4 | 174.1° | 179.9° |
| C14 | N3 | C17 | O1 | 6.6° | 0.1° |
| N3 | C14 | C13 | H17 | 155.0° | 60.0° |
| N3 | C14 | C13 | H18 | 36.0° | 60.0° |
| N3 | C14 | H19 | H20 | 117.8° | 120.0° |
| C14 | N3 | C15 | H22 | 69.4° | 61.4° |
| C14 | N3 | C15 | H21 | 52.8° | 61.4° |
| N3 | C15 | C16 | H22 | 118.9° | 118.6° |
| N3 | C15 | C16 | H21 | 118.9° | 118.7° |
| N3 | C15 | C16 | N4 | 9.5° | 0.0° |
| C15 | N3 | C17 | N4 | 10.1° | 0.0° |
| C15 | N3 | C17 | O1 | 169.3° | 180.0° |
| N3 | C15 | C16 | C18 | 128.8° | 118.7° |
| N3 | C15 | C16 | C21 | 109.6° | 118.7° |
| C15 | N3 | C14 | H19 | 163.6° | 30.0° |
| C15 | N3 | C14 | H20 | 77.8° | 150.0° |
| N3 | C15 | H22 | H21 | 123.1° | 122.9° |
| C15 | C16 | N4 | C18 | 120.7° | 118.4° |
| C15 | C16 | N4 | C21 | 120.1° | 118.5° |
| C15 | C16 | N4 | C17 | 4.5° | 0.0° |
| C15 | C16 | C18 | C21 | 124.3° | 122.2° |
| C15 | C16 | C18 | C19 | 175.9° | 177.8° |
| C15 | C16 | C21 | C20 | 176.9° | 177.8° |
| C16 | C15 | N3 | C17 | 12.4° | 0.0° |
| C16 | C15 | H22 | H21 | 123.1° | 122.8° |
| C15 | C16 | C18 | H25 | 55.7° | 57.7° |
| C15 | C16 | C18 | H24 | 64.0° | 62.3° |
| C15 | C16 | C21 | H31 | 56.7° | 62.2° |
| C15 | C16 | C21 | H30 | 62.8° | 57.8° |
| C15 | C16 | N4 | H23 | 175.5° | 179.9° |
| C16 | N4 | C17 | H23 | 180.0° | 179.9° |
| C16 | N4 | C17 | O1 | 176.3° | 180.0° |
| N4 | C16 | C18 | C21 | 121.3° | 123.0° |
| N4 | C16 | C18 | C19 | 61.5° | 63.1° |
| N4 | C16 | C21 | C20 | 62.8° | 63.1° |
| C16 | N4 | C17 | N3 | 3.0° | 0.0° |
| N4 | C16 | C15 | H22 | 109.4° | 118.6° |
| N4 | C16 | C15 | H21 | 128.4° | 118.7° |
| N4 | C16 | C18 | H25 | 58.7° | 57.0° |
| N4 | C16 | C18 | H24 | 178.4° | 177.0° |
| N4 | C16 | C21 | H31 | 57.4° | 177.0° |
| N4 | C16 | C21 | H30 | 176.8° | 57.0° |
| N4 | C17 | O1 | N3 | 179.2° | 180.0° |
| C17 | N4 | C16 | C18 | 125.2° | 118.4° |
| C17 | N4 | C16 | C21 | 115.6° | 118.5° |
| O1 | C17 | N4 | H23 | 3.7° | 0.1° |
| C16 | C18 | C19 | H25 | 120.2° | 120.1° |
| C16 | C18 | C19 | H24 | 120.2° | 120.0° |
| C16 | C18 | C19 | N5 | 54.5° | 53.8° |
| C18 | C16 | C21 | C20 | 58.4° | 60.0° |
| C18 | C16 | C15 | H22 | 9.9° | 122.7° |
| C18 | C16 | C15 | H21 | 112.3° | 0.0° |
| C16 | C18 | H25 | H24 | 119.5° | 120.0° |
| C16 | C18 | C19 | H26 | 66.0° | 65.9° |
| C16 | C18 | C19 | H27 | 175.1° | 173.6° |
| C18 | C16 | C21 | H31 | 178.7° | 60.0° |
| C18 | C16 | C21 | H30 | 61.9° | 180.0° |
| C18 | C16 | N4 | H23 | 54.8° | 61.5° |
| C18 | C19 | N5 | H26 | 120.5° | 119.7° |
| C18 | C19 | N5 | H27 | 120.6° | 119.8° |
| C18 | C19 | N5 | C20 | 46.5° | 54.1° |
| C18 | C19 | N5 | C22 | 141.9° | 126.0° |
| C19 | C18 | C16 | C21 | 59.9° | 60.0° |
| C19 | C18 | H25 | H24 | 119.5° | 120.0° |
| C18 | C19 | H26 | H27 | 118.3° | 120.4° |
| C19 | N5 | C20 | C22 | 171.0° | 179.9° |
| C19 | N5 | C20 | C21 | 44.9° | 54.1° |
| C19 | N5 | C22 | N6 | 28.7° | 151.5° |
| C19 | N5 | C22 | C27 | 145.8° | 28.2° |
| N5 | C19 | C18 | H25 | 174.7° | 173.9° |
| N5 | C19 | C18 | H24 | 65.6° | 66.2° |
| N5 | C19 | H26 | H27 | 118.3° | 120.4° |
| C19 | N5 | C20 | H28 | 75.8° | 173.9° |
| C19 | N5 | C20 | H29 | 165.5° | 65.7° |
| N5 | C20 | C21 | H28 | 120.6° | 119.8° |
| N5 | C20 | C21 | H29 | 120.6° | 120.0° |
| C20 | N5 | C22 | N6 | 160.6° | 28.4° |
| N5 | C20 | C21 | C16 | 51.5° | 53.8° |
| C20 | N5 | C22 | C27 | 24.9° | 151.9° |
| C20 | N5 | C19 | H26 | 74.1° | 65.6° |
| C20 | N5 | C19 | H27 | 167.0° | 173.9° |
| N5 | C20 | H28 | H29 | 118.0° | 120.5° |
| N5 | C20 | C21 | H31 | 171.8° | 66.1° |
| N5 | C20 | C21 | H30 | 68.8° | 173.8° |
| C21 | C20 | N5 | C22 | 144.1° | 125.9° |
| C20 | C21 | C16 | H31 | 120.3° | 120.0° |
| C20 | C21 | C16 | H30 | 120.3° | 120.0° |
| C21 | C20 | H28 | H29 | 118.1° | 120.2° |
| C20 | C21 | H31 | H30 | 119.2° | 120.0° |
| N5 | C22 | N6 | C27 | 174.5° | 179.8° |
| N5 | C22 | N6 | C23 | 177.2° | 179.7° |
| N5 | C22 | C27 | C26 | 4.1° | 0.2° |
| N5 | C22 | C27 | N7 | 176.6° | 179.7° |
| C22 | N5 | C19 | H26 | 97.5° | 114.3° |
| C22 | N5 | C19 | H27 | 21.3° | 6.2° |
| C22 | N5 | C20 | H28 | 95.3° | 6.2° |
| C22 | N5 | C20 | H29 | 23.5° | 114.2° |
| C22 | N6 | C23 | C24 | 1.9° | 0.0° |
| N6 | C22 | C27 | C26 | 178.4° | 180.0° |
| N6 | C22 | C27 | N7 | 2.3° | 0.0° |
| C22 | N6 | C23 | H32 | 178.1° | 180.0° |
| N6 | C23 | C24 | H32 | 180.0° | 179.9° |
| N6 | C23 | C24 | N7 | 0.6° | 0.0° |
| C23 | N6 | C22 | C27 | 2.7° | 0.0° |
| N6 | C23 | C24 | H33 | 179.4° | 179.9° |
| C23 | C24 | N7 | H33 | 180.0° | 180.0° |
| C23 | C24 | N7 | C25 | 179.4° | 180.0° |
| C23 | C24 | N7 | C27 | 0.2° | 0.0° |
| C24 | N7 | C25 | C27 | 179.6° | 180.0° |
| C24 | N7 | C25 | N8 | 179.8° | 180.0° |
| C24 | N7 | C27 | C26 | 179.5° | 180.0° |
| C24 | N7 | C27 | C22 | 1.0° | 0.0° |
| N7 | C24 | C23 | H32 | 179.4° | 180.0° |
| C24 | N7 | C25 | H34 | 0.2° | 0.0° |
| N7 | C25 | N8 | H34 | 180.0° | 179.9° |
| N7 | C25 | N8 | C26 | 0.0° | 0.0° |
| C25 | N7 | C27 | C26 | 0.8° | 0.0° |
| C25 | N7 | C27 | C22 | 178.7° | 180.0° |
| C25 | N7 | C24 | H33 | 0.6° | 0.0° |
| C25 | N8 | C26 | C27 | 0.5° | 0.0° |
| N8 | C25 | N7 | C27 | 0.5° | 0.0° |
| C25 | N8 | C26 | H35 | 179.5° | 180.0° |
| N8 | C26 | C27 | H35 | 180.0° | 180.0° |
| N8 | C26 | C27 | C22 | 178.6° | 180.0° |
| N8 | C26 | C27 | N7 | 0.8° | 0.0° |
| C26 | N8 | C25 | H34 | 179.9° | 180.0° |
| C26 | C27 | C22 | N7 | 179.2° | 180.0° |
| O2 | C9 | C8 | H12 | 0.2° | 0.0° |
| C3 | C28 | C29 | C33 | 178.9° | 179.7° |
| C3 | C28 | C29 | C30 | 179.5° | 179.8° |
| C3 | C28 | C33 | C32 | 179.7° | 179.8° |
| C28 | C3 | C2 | H4 | 68.5° | 172.2° |
| C28 | C3 | C2 | H5 | 49.5° | 67.7° |
| C3 | C28 | C29 | H36 | 0.5° | 0.3° |
| C3 | C28 | C33 | H40 | 0.3° | 0.3° |
| C28 | C3 | C4 | H7 | 166.4° | 88.0° |
| C28 | C3 | C4 | H6 | 44.6° | 35.2° |
| C28 | C3 | C6 | H11 | 153.7° | 36.3° |
| C28 | C3 | C6 | H10 | 31.8° | 86.0° |
| C28 | C29 | C30 | H36 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C29 | C28 | C33 | C32 | 0.9° | 0.0° |
| C29 | C28 | C3 | C6 | 55.9° | 169.7° |
| C28 | C29 | C30 | H37 | 179.9° | 179.9° |
| C29 | C28 | C33 | H40 | 179.1° | 180.0° |
| C29 | C30 | C31 | H37 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.5° | 0.1° |
| C30 | C29 | C28 | C33 | 0.6° | 0.0° |
| C29 | C30 | C31 | H38 | 179.5° | 179.9° |
| C30 | C31 | C32 | H38 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.1° |
| C31 | C30 | C29 | H36 | 180.0° | 180.0° |
| C30 | C31 | C32 | H39 | 179.8° | 180.0° |
| C31 | C32 | C33 | H39 | 180.0° | 179.9° |
| C31 | C32 | C33 | C28 | 0.5° | 0.1° |
| C32 | C31 | C30 | H37 | 179.5° | 180.0° |
| C31 | C32 | C33 | H40 | 179.5° | 180.0° |
| C32 | C33 | C28 | H40 | 180.0° | 180.0° |
| C33 | C32 | C31 | H38 | 179.8° | 179.9° |
| C6 | C3 | C28 | C33 | 125.3° | 10.0° |
| C6 | C3 | C2 | H4 | 167.4° | 48.3° |
| C6 | C3 | C2 | H5 | 74.6° | 168.4° |
| C6 | C3 | C4 | H7 | 74.6° | 153.9° |
| C6 | C3 | C4 | H6 | 163.6° | 82.9° |
| C3 | C6 | H11 | H10 | 122.8° | 122.3° |
| C12 | C7 | C8 | H12 | 179.5° | 180.0° |
| C17 | N3 | C14 | H19 | 21.0° | 149.9° |
| C17 | N3 | C14 | H20 | 97.6° | 29.9° |
| C17 | N3 | C15 | H22 | 106.5° | 118.5° |
| C17 | N3 | C15 | H21 | 131.3° | 118.7° |
| N3 | C17 | N4 | H23 | 177.0° | 179.9° |
| C21 | C16 | C15 | H22 | 131.5° | 0.1° |
| C21 | C16 | C15 | H21 | 9.3° | 122.6° |
| C21 | C16 | C18 | H25 | 180.0° | 180.0° |
| C21 | C16 | C18 | H24 | 60.3° | 60.0° |
| C16 | C21 | C20 | H28 | 69.1° | 173.6° |
| C16 | C21 | C20 | H29 | 172.1° | 66.2° |
| C16 | C21 | H31 | H30 | 119.1° | 120.0° |
| C21 | C16 | N4 | H23 | 64.4° | 61.6° |
| C22 | C27 | C26 | H35 | 1.5° | 0.0° |
| C27 | N7 | C24 | H33 | 179.8° | 179.9° |
| C27 | N7 | C25 | H34 | 179.5° | 180.0° |
| N7 | C27 | C26 | H35 | 179.2° | 180.0° |
| C33 | C28 | C29 | H36 | 179.4° | 180.0° |
| C28 | C33 | C32 | H39 | 179.5° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.0° | 55.4° |
| H1 | C1 | C2 | H5 | 59.0° | 175.4° |
| H2 | C1 | C2 | H4 | 61.0° | 175.4° |
| H2 | C1 | C2 | H5 | 179.0° | 64.6° |
| H3 | C1 | C2 | H4 | 179.0° | 64.6° |
| H3 | C1 | C2 | H5 | 61.0° | 55.4° |
| H15 | C11 | H13 | H14 | 120.0° | 119.9° |
| H17 | C13 | C14 | H19 | 84.3° | 60.1° |
| H17 | C13 | C14 | H20 | 34.3° | 180.0° |
| H18 | C13 | C14 | H19 | 156.7° | 180.0° |
| H18 | C13 | C14 | H20 | 84.7° | 60.0° |
| H25 | C18 | C19 | H26 | 54.2° | 54.1° |
| H25 | C18 | C19 | H27 | 64.7° | 66.3° |
| H24 | C18 | C19 | H26 | 173.8° | 174.1° |
| H24 | C18 | C19 | H27 | 55.0° | 53.6° |
| H28 | C20 | C21 | H31 | 51.1° | 53.7° |
| H28 | C20 | C21 | H30 | 170.6° | 66.4° |
| H29 | C20 | C21 | H31 | 67.6° | 173.9° |
| H29 | C20 | C21 | H30 | 51.8° | 53.9° |
| H32 | C23 | C24 | H33 | 0.6° | 0.0° |
| H36 | C29 | C30 | H37 | 0.0° | 0.1° |
| H37 | C30 | C31 | H38 | 0.5° | 0.0° |
| H38 | C31 | C32 | H39 | 0.2° | 0.0° |
| H39 | C32 | C33 | H40 | 0.5° | 0.1° |
| H7 | C4 | C5 | H8 | 37.2° | 21.2° |
| H7 | C4 | C5 | H9 | 159.8° | 100.0° |
| H6 | C4 | C5 | H8 | 84.6° | 144.4° |
| H6 | C4 | C5 | H9 | 38.0° | 23.2° |
