A1EYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.44Å | |
| C1 | C9 | sing | 1.51Å | 1.50Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C8 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C7 | sing | 1.51Å | 1.45Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C6 | N2 | sing | 1.47Å | 1.56Å | |
| N2 | C7 | sing | 1.34Å | 1.46Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | N3 | sing | 1.47Å | 1.49Å | |
| C9 | C16 | sing | 1.55Å | 1.50Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.35Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C15 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.56Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.56Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | O6 | doub | 1.21Å | 1.18Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | N4 | sing | 1.47Å | 1.43Å | |
| C19 | C20 | sing | 1.51Å | 1.55Å | |
| C20 | C21 | doub | 1.38Å | 1.49Å | Aromatic |
| C20 | C26 | sing | 1.38Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.49Å | Aromatic |
| C23 | O4 | sing | 1.36Å | 1.46Å | |
| C23 | C25 | sing | 1.39Å | 1.33Å | Aromatic |
| O4 | C24 | sing | 1.43Å | 1.39Å | |
| C25 | C26 | doub | 1.38Å | 1.53Å | Aromatic |
| N4 | C27 | sing | 1.35Å | 1.48Å | |
| C27 | C28 | sing | 1.48Å | 1.54Å | |
| C27 | O5 | doub | 1.21Å | 1.23Å | |
| C28 | N5 | doub | 1.32Å | 1.20Å | Aromatic |
| C28 | C36 | sing | 1.40Å | 1.25Å | Aromatic |
| N5 | C29 | sing | 1.33Å | 1.29Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.52Å | Aromatic |
| C29 | C34 | sing | 1.42Å | 1.60Å | Aromatic |
| C30 | C31 | sing | 1.36Å | 1.43Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.30Å | Aromatic |
| C32 | C33 | sing | 1.36Å | 1.27Å | Aromatic |
| C33 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.41Å | 1.52Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.08Å | 1.08Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| C35 | H42 | sing | 1.08Å | 1.08Å | |
| C36 | H43 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N4 | H37 | sing | 0.97Å | 1.00Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 117.2° | 120.0° |
| O1 | C1 | C9 | 123.5° | 120.0° |
| N1 | C1 | C9 | 119.3° | 120.0° |
| C1 | N1 | C2 | 123.4° | 120.0° |
| C1 | N1 | H7 | 118.3° | 120.0° |
| C1 | C9 | N3 | 107.3° | 109.9° |
| C1 | C9 | C16 | 111.3° | 109.9° |
| C1 | C9 | H5 | 110.3° | 110.1° |
| N1 | C2 | C3 | 111.0° | 109.4° |
| N1 | C2 | C8 | 104.7° | 109.5° |
| N1 | C2 | H3 | 111.8° | 109.4° |
| C2 | N1 | H7 | 118.3° | 120.0° |
| C3 | C2 | C8 | 107.4° | 109.5° |
| C2 | C3 | C4 | 112.4° | 109.5° |
| C3 | C2 | H3 | 111.1° | 109.5° |
| C2 | C3 | H8 | 108.7° | 109.5° |
| C2 | C3 | H9 | 108.7° | 109.5° |
| C2 | C8 | O3 | 108.2° | 109.5° |
| C8 | C2 | H3 | 110.6° | 109.5° |
| C2 | C8 | H15 | 109.8° | 109.5° |
| C2 | C8 | H16 | 109.8° | 109.5° |
| C3 | C4 | C5 | 112.4° | 110.5° |
| C3 | C4 | C7 | 109.0° | 110.5° |
| C4 | C3 | H8 | 108.7° | 109.5° |
| C4 | C3 | H9 | 108.8° | 109.4° |
| C3 | C4 | H4 | 108.7° | 110.4° |
| C5 | C4 | C7 | 107.2° | 104.2° |
| C4 | C5 | C6 | 103.6° | 101.8° |
| C5 | C4 | H4 | 109.2° | 110.5° |
| C4 | C5 | H10 | 110.9° | 110.9° |
| C4 | C5 | H11 | 110.9° | 111.0° |
| C4 | C7 | N2 | 109.9° | 110.2° |
| C4 | C7 | O2 | 126.8° | 124.9° |
| C7 | C4 | H4 | 110.3° | 110.6° |
| C5 | C6 | N2 | 104.2° | 105.5° |
| C6 | C5 | H10 | 110.9° | 111.0° |
| C6 | C5 | H11 | 110.9° | 111.0° |
| C5 | C6 | H12 | 110.8° | 110.3° |
| C5 | C6 | H13 | 110.8° | 110.2° |
| C6 | N2 | C7 | 106.9° | 111.3° |
| N2 | C6 | H12 | 110.8° | 110.3° |
| N2 | C6 | H13 | 110.8° | 110.2° |
| C6 | N2 | H14 | 126.6° | 124.3° |
| N2 | C7 | O2 | 123.4° | 124.9° |
| C7 | N2 | H14 | 126.5° | 124.4° |
| O3 | C8 | H15 | 109.8° | 109.5° |
| O3 | C8 | H16 | 109.8° | 109.5° |
| C8 | O3 | H17 | 109.5° | 114.1° |
| N3 | C9 | C16 | 107.4° | 107.1° |
| C9 | N3 | C10 | 107.9° | 108.0° |
| C9 | N3 | C17 | 123.7° | 126.0° |
| N3 | C9 | H5 | 110.3° | 109.9° |
| C9 | C16 | C15 | 101.0° | 102.6° |
| C9 | C16 | H26 | 111.5° | 110.7° |
| C9 | C16 | H27 | 111.5° | 110.8° |
| C16 | C9 | H5 | 110.2° | 109.9° |
| C10 | N3 | C17 | 128.4° | 126.0° |
| N3 | C10 | C11 | 111.0° | 113.1° |
| N3 | C10 | C15 | 102.6° | 105.6° |
| N3 | C10 | H1 | 110.3° | 108.4° |
| N3 | C17 | C18 | 118.2° | 120.0° |
| N3 | C17 | O6 | 119.1° | 120.0° |
| C11 | C10 | C15 | 113.4° | 113.2° |
| C10 | C11 | C12 | 111.8° | 110.7° |
| C11 | C10 | H1 | 109.7° | 108.6° |
| C10 | C11 | H18 | 108.9° | 109.1° |
| C10 | C11 | H19 | 108.9° | 109.1° |
| C10 | C15 | C14 | 112.8° | 111.2° |
| C10 | C15 | C16 | 104.4° | 100.6° |
| C15 | C10 | H1 | 109.7° | 107.7° |
| C10 | C15 | H2 | 109.0° | 112.6° |
| C11 | C12 | C13 | 107.5° | 108.3° |
| C12 | C11 | H18 | 108.9° | 109.0° |
| C12 | C11 | H19 | 108.9° | 109.9° |
| C11 | C12 | H20 | 109.9° | 109.9° |
| C11 | C12 | H21 | 110.0° | 109.5° |
| C12 | C13 | C14 | 109.9° | 108.7° |
| C13 | C12 | H20 | 110.0° | 109.6° |
| C13 | C12 | H21 | 110.0° | 109.7° |
| C12 | C13 | H23 | 109.4° | 109.6° |
| C12 | C13 | H22 | 109.4° | 109.7° |
| C13 | C14 | C15 | 115.0° | 110.7° |
| C14 | C13 | H23 | 109.4° | 109.7° |
| C14 | C13 | H22 | 109.4° | 109.6° |
| C13 | C14 | H24 | 108.1° | 109.3° |
| C13 | C14 | H25 | 108.1° | 109.2° |
| C14 | C15 | C16 | 112.7° | 106.6° |
| C15 | C14 | H24 | 108.0° | 109.2° |
| C15 | C14 | H25 | 108.0° | 109.2° |
| C14 | C15 | H2 | 108.7° | 112.4° |
| C16 | C15 | H2 | 109.1° | 112.8° |
| C15 | C16 | H26 | 111.6° | 110.7° |
| C15 | C16 | H27 | 111.6° | 111.0° |
| C18 | C17 | O6 | 122.7° | 120.0° |
| C17 | C18 | C19 | 103.5° | 109.5° |
| C17 | C18 | N4 | 109.1° | 109.4° |
| C17 | C18 | H6 | 110.2° | 109.5° |
| C19 | C18 | N4 | 112.3° | 109.5° |
| C18 | C19 | C20 | 108.7° | 109.5° |
| C19 | C18 | H6 | 110.0° | 109.5° |
| C18 | C19 | H29 | 109.7° | 109.5° |
| C18 | C19 | H28 | 109.7° | 109.5° |
| C18 | N4 | C27 | 120.5° | 120.0° |
| N4 | C18 | H6 | 111.6° | 109.5° |
| C18 | N4 | H37 | 119.8° | 120.0° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | C26 | 118.6° | 119.9° |
| C20 | C19 | H29 | 109.6° | 109.5° |
| C20 | C19 | H28 | 109.7° | 109.5° |
| C21 | C20 | C26 | 122.0° | 120.1° |
| C20 | C21 | C22 | 119.3° | 120.1° |
| C20 | C21 | H30 | 120.4° | 120.0° |
| C20 | C26 | C25 | 118.5° | 120.1° |
| C20 | C26 | H36 | 120.8° | 119.9° |
| C21 | C22 | C23 | 119.3° | 119.9° |
| C22 | C21 | H30 | 120.3° | 120.0° |
| C21 | C22 | H31 | 120.3° | 120.0° |
| C22 | C23 | O4 | 122.6° | 120.0° |
| C22 | C23 | C25 | 121.1° | 119.9° |
| C23 | C22 | H31 | 120.3° | 120.0° |
| O4 | C23 | C25 | 116.2° | 120.1° |
| C23 | O4 | C24 | 114.5° | 117.0° |
| C23 | C25 | C26 | 119.7° | 119.9° |
| C23 | C25 | H35 | 120.2° | 120.0° |
| O4 | C24 | H32 | 109.5° | 109.4° |
| O4 | C24 | H34 | 109.5° | 109.5° |
| O4 | C24 | H33 | 109.5° | 109.5° |
| C26 | C25 | H35 | 120.2° | 120.0° |
| C25 | C26 | H36 | 120.7° | 120.0° |
| N4 | C27 | C28 | 117.8° | 120.0° |
| N4 | C27 | O5 | 118.2° | 120.0° |
| C27 | N4 | H37 | 119.7° | 120.0° |
| C28 | C27 | O5 | 122.9° | 120.0° |
| C27 | C28 | N5 | 109.8° | 119.2° |
| C27 | C28 | C36 | 117.2° | 119.3° |
| N5 | C28 | C36 | 132.9° | 121.5° |
| C28 | N5 | C29 | 127.1° | 121.3° |
| C28 | C36 | C35 | 115.5° | 119.8° |
| C28 | C36 | H43 | 122.2° | 120.1° |
| N5 | C29 | C30 | 142.3° | 121.0° |
| N5 | C29 | C34 | 112.7° | 120.0° |
| C30 | C29 | C34 | 105.0° | 119.0° |
| C29 | C30 | C31 | 123.7° | 119.7° |
| C29 | C30 | H38 | 118.2° | 120.1° |
| C29 | C34 | C33 | 122.8° | 119.6° |
| C29 | C34 | C35 | 113.0° | 119.1° |
| C30 | C31 | C32 | 121.8° | 121.1° |
| C31 | C30 | H38 | 118.2° | 120.2° |
| C30 | C31 | H39 | 119.1° | 119.4° |
| C31 | C32 | C33 | 124.4° | 121.0° |
| C32 | C31 | H39 | 119.1° | 119.5° |
| C31 | C32 | H40 | 117.8° | 119.5° |
| C32 | C33 | C34 | 122.3° | 119.6° |
| C33 | C32 | H40 | 117.8° | 119.5° |
| C32 | C33 | H41 | 118.8° | 120.2° |
| C33 | C34 | C35 | 124.1° | 121.3° |
| C34 | C33 | H41 | 118.9° | 120.2° |
| C34 | C35 | C36 | 118.6° | 118.3° |
| C34 | C35 | H42 | 120.7° | 120.9° |
| C36 | C35 | H42 | 120.7° | 120.9° |
| C35 | C36 | H43 | 122.3° | 120.1° |
| H18 | C11 | H19 | 109.5° | 109.0° |
| H20 | C12 | H21 | 109.5° | 109.8° |
| H23 | C13 | H22 | 109.4° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.2° |
| H26 | C16 | H27 | 109.5° | 110.7° |
| H29 | C19 | H28 | 109.5° | 109.5° |
| H32 | C24 | H34 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.4° |
| H34 | C24 | H33 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.4° | 110.9° |
| H12 | C6 | H13 | 109.5° | 110.3° |
| H15 | C8 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C9 | 178.7° | 179.9° |
| O1 | C1 | N1 | C2 | 3.2° | 5.0° |
| O1 | C1 | C9 | N3 | 44.9° | 9.2° |
| O1 | C1 | C9 | C16 | 72.3° | 108.5° |
| O1 | C1 | C9 | H5 | 165.1° | 130.3° |
| O1 | C1 | N1 | H7 | 176.8° | 175.0° |
| C1 | N1 | C2 | H7 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 113.9° | 157.6° |
| C1 | N1 | C2 | C8 | 130.6° | 82.4° |
| N1 | C1 | C9 | N3 | 133.7° | 170.8° |
| N1 | C1 | C9 | C16 | 109.1° | 71.6° |
| C1 | N1 | C2 | H3 | 10.8° | 37.7° |
| N1 | C1 | C9 | H5 | 13.6° | 49.6° |
| C9 | C1 | N1 | C2 | 178.1° | 174.9° |
| C1 | C9 | N3 | C16 | 119.8° | 119.4° |
| C1 | C9 | N3 | H5 | 120.1° | 121.3° |
| C1 | C9 | C16 | H5 | 122.7° | 121.3° |
| C1 | C9 | N3 | C10 | 124.2° | 120.8° |
| C1 | C9 | N3 | C17 | 57.0° | 59.4° |
| C1 | C9 | C16 | C15 | 144.4° | 96.6° |
| C1 | C9 | C16 | H26 | 25.8° | 21.6° |
| C1 | C9 | C16 | H27 | 97.0° | 144.9° |
| C9 | C1 | N1 | H7 | 1.9° | 5.1° |
| N1 | C2 | C3 | C8 | 113.9° | 120.0° |
| N1 | C2 | C3 | H3 | 125.1° | 119.9° |
| N1 | C2 | C8 | H3 | 120.6° | 120.0° |
| N1 | C2 | C3 | C4 | 62.6° | 173.8° |
| N1 | C2 | C8 | O3 | 71.2° | 65.0° |
| N1 | C2 | C3 | H8 | 57.8° | 53.7° |
| N1 | C2 | C3 | H9 | 176.9° | 66.3° |
| N1 | C2 | C8 | H15 | 169.0° | 55.0° |
| N1 | C2 | C8 | H16 | 48.6° | 175.0° |
| C3 | C2 | C8 | H3 | 121.4° | 120.1° |
| C2 | C3 | C4 | H8 | 120.4° | 120.0° |
| C2 | C3 | C4 | H9 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 60.0° | 173.4° |
| C2 | C3 | C4 | C7 | 178.7° | 71.9° |
| C3 | C2 | C8 | O3 | 170.8° | 55.0° |
| C2 | C3 | H8 | H9 | 118.6° | 120.0° |
| C2 | C3 | C4 | H4 | 61.0° | 50.8° |
| C3 | C2 | C8 | H15 | 51.0° | 175.0° |
| C3 | C2 | C8 | H16 | 69.4° | 65.1° |
| C3 | C2 | N1 | H7 | 66.1° | 22.4° |
| C8 | C2 | C3 | C4 | 176.5° | 66.3° |
| C2 | C8 | O3 | H15 | 119.8° | 120.0° |
| C2 | C8 | O3 | H16 | 119.8° | 120.0° |
| C8 | C2 | C3 | H8 | 56.0° | 173.7° |
| C8 | C2 | C3 | H9 | 63.1° | 53.7° |
| C2 | C8 | H15 | H16 | 120.6° | 120.0° |
| C8 | C2 | N1 | H7 | 49.4° | 97.6° |
| C2 | C8 | O3 | H17 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 119.7° | 118.7° |
| C3 | C4 | C5 | H4 | 120.7° | 122.6° |
| C3 | C4 | C7 | H4 | 119.3° | 122.6° |
| C3 | C4 | C5 | C6 | 148.0° | 143.5° |
| C3 | C4 | C7 | N2 | 140.3° | 134.9° |
| C3 | C4 | C7 | O2 | 39.7° | 45.1° |
| C4 | C3 | C2 | H3 | 62.5° | 53.8° |
| C4 | C3 | H8 | H9 | 118.7° | 120.0° |
| C3 | C4 | C5 | H10 | 28.9° | 98.4° |
| C3 | C4 | C5 | H11 | 92.9° | 25.3° |
| C5 | C4 | C7 | H4 | 118.8° | 118.7° |
| C4 | C5 | C6 | H10 | 119.1° | 118.1° |
| C4 | C5 | C6 | H11 | 119.1° | 118.2° |
| C4 | C5 | C6 | N2 | 26.8° | 25.4° |
| C5 | C4 | C7 | N2 | 18.4° | 16.3° |
| C5 | C4 | C7 | O2 | 161.6° | 163.8° |
| C5 | C4 | C3 | H8 | 179.6° | 66.6° |
| C5 | C4 | C3 | H9 | 60.4° | 53.4° |
| C4 | C5 | H10 | H11 | 122.7° | 123.8° |
| C4 | C5 | C6 | H12 | 145.9° | 93.6° |
| C4 | C5 | C6 | H13 | 92.3° | 144.4° |
| C7 | C4 | C5 | C6 | 28.3° | 24.8° |
| C4 | C7 | N2 | C6 | 0.9° | 0.4° |
| C4 | C7 | N2 | O2 | 180.0° | 180.0° |
| C7 | C4 | C3 | H8 | 60.9° | 48.1° |
| C7 | C4 | C3 | H9 | 58.2° | 168.1° |
| C7 | C4 | C5 | H10 | 90.8° | 142.9° |
| C7 | C4 | C5 | H11 | 147.4° | 93.4° |
| C4 | C7 | N2 | H14 | 179.1° | 179.6° |
| C5 | C6 | N2 | H12 | 119.2° | 119.0° |
| C5 | C6 | N2 | H13 | 119.1° | 118.9° |
| C5 | C6 | N2 | C7 | 16.7° | 17.0° |
| C6 | C5 | C4 | H4 | 91.3° | 94.0° |
| C6 | C5 | H10 | H11 | 122.7° | 123.9° |
| C5 | C6 | H12 | H13 | 122.5° | 122.0° |
| C5 | C6 | N2 | H14 | 163.3° | 162.9° |
| C6 | N2 | C7 | H14 | 180.0° | 180.0° |
| C6 | N2 | C7 | O2 | 179.2° | 179.6° |
| N2 | C6 | C5 | H10 | 92.3° | 143.5° |
| N2 | C6 | C5 | H11 | 145.9° | 92.7° |
| N2 | C6 | H12 | H13 | 122.5° | 122.0° |
| N2 | C7 | C4 | H4 | 100.4° | 102.5° |
| C7 | N2 | C6 | H12 | 135.8° | 102.0° |
| C7 | N2 | C6 | H13 | 102.4° | 136.0° |
| O2 | C7 | C4 | H4 | 79.6° | 77.5° |
| O2 | C7 | N2 | H14 | 0.8° | 0.5° |
| O3 | C8 | C2 | H3 | 49.4° | 175.0° |
| O3 | C8 | H15 | H16 | 120.6° | 120.0° |
| N3 | C9 | C16 | H5 | 120.2° | 119.3° |
| C9 | N3 | C10 | C17 | 178.7° | 179.8° |
| C9 | N3 | C10 | C11 | 101.0° | 150.0° |
| C9 | N3 | C10 | C15 | 20.4° | 25.8° |
| N3 | C9 | C16 | C15 | 27.3° | 22.8° |
| C9 | N3 | C17 | C18 | 178.5° | 4.1° |
| C9 | N3 | C17 | O6 | 2.5° | 175.9° |
| C9 | N3 | C10 | H1 | 137.1° | 89.5° |
| N3 | C9 | C16 | H26 | 91.4° | 141.0° |
| N3 | C9 | C16 | H27 | 145.9° | 95.7° |
| C16 | C9 | N3 | C10 | 4.4° | 1.4° |
| C16 | C9 | N3 | C17 | 176.8° | 178.8° |
| C9 | C16 | C15 | C10 | 40.0° | 36.7° |
| C9 | C16 | C15 | C14 | 162.8° | 79.4° |
| C9 | C16 | C15 | H26 | 118.6° | 118.2° |
| C9 | C16 | C15 | H27 | 118.6° | 118.4° |
| C9 | C16 | C15 | H2 | 76.4° | 156.8° |
| C9 | C16 | H26 | H27 | 123.9° | 123.3° |
| N3 | C10 | C11 | C15 | 114.9° | 120.0° |
| N3 | C10 | C11 | H1 | 122.2° | 120.4° |
| N3 | C10 | C15 | H1 | 117.2° | 115.7° |
| N3 | C10 | C11 | C12 | 168.1° | 67.0° |
| N3 | C10 | C15 | C14 | 160.6° | 73.7° |
| N3 | C10 | C15 | C16 | 37.9° | 38.9° |
| C10 | N3 | C17 | C18 | 3.0° | 175.7° |
| C10 | N3 | C17 | O6 | 176.0° | 4.4° |
| N3 | C10 | C11 | H18 | 71.6° | 173.1° |
| N3 | C10 | C11 | H19 | 47.7° | 54.0° |
| N3 | C10 | C15 | H2 | 78.6° | 159.1° |
| C10 | N3 | C9 | H5 | 115.7° | 117.9° |
| C17 | N3 | C10 | C11 | 80.3° | 30.2° |
| C17 | N3 | C10 | C15 | 158.3° | 154.5° |
| N3 | C17 | C18 | O6 | 179.0° | 180.0° |
| N3 | C17 | C18 | C19 | 109.2° | 67.9° |
| N3 | C17 | C18 | N4 | 131.2° | 172.1° |
| C17 | N3 | C10 | H1 | 41.6° | 90.3° |
| N3 | C17 | C18 | H6 | 8.4° | 52.1° |
| C17 | N3 | C9 | H5 | 63.1° | 61.9° |
| C11 | C10 | C15 | H1 | 123.0° | 120.1° |
| C10 | C11 | C12 | H18 | 120.3° | 120.0° |
| C10 | C11 | C12 | H19 | 120.3° | 120.6° |
| C10 | C11 | C12 | C13 | 64.0° | 59.2° |
| C11 | C10 | C15 | C14 | 40.8° | 50.5° |
| C11 | C10 | C15 | C16 | 81.9° | 163.1° |
| C10 | C11 | H18 | H19 | 118.9° | 119.1° |
| C10 | C11 | C12 | H20 | 55.6° | 60.6° |
| C10 | C11 | C12 | H21 | 176.3° | 178.8° |
| C11 | C10 | C15 | H2 | 161.6° | 76.7° |
| C15 | C10 | C11 | C12 | 53.2° | 53.0° |
| C10 | C15 | C14 | C13 | 41.4° | 54.5° |
| C10 | C15 | C14 | C16 | 118.0° | 108.7° |
| C10 | C15 | C14 | H2 | 121.0° | 127.3° |
| C10 | C15 | C16 | H2 | 116.4° | 120.1° |
| C15 | C10 | C11 | H18 | 173.5° | 66.9° |
| C15 | C10 | C11 | H19 | 67.2° | 174.1° |
| C10 | C15 | C14 | H24 | 79.5° | 65.9° |
| C10 | C15 | C14 | H25 | 162.2° | 174.8° |
| C10 | C15 | C16 | H26 | 78.6° | 154.9° |
| C10 | C15 | C16 | H27 | 158.6° | 81.7° |
| C11 | C12 | C13 | H20 | 119.7° | 119.9° |
| C11 | C12 | C13 | H21 | 119.7° | 119.5° |
| C11 | C12 | C13 | C14 | 62.6° | 63.5° |
| C12 | C11 | C10 | H1 | 69.8° | 172.6° |
| C12 | C11 | H18 | H19 | 119.0° | 120.0° |
| C11 | C12 | H20 | H21 | 120.9° | 120.5° |
| C11 | C12 | C13 | H23 | 177.3° | 56.4° |
| C11 | C12 | C13 | H22 | 57.5° | 176.7° |
| C12 | C13 | C14 | H23 | 120.1° | 119.8° |
| C12 | C13 | C14 | H22 | 120.1° | 119.9° |
| C12 | C13 | C14 | C15 | 53.4° | 62.0° |
| C13 | C12 | C11 | H18 | 175.6° | 60.8° |
| C13 | C12 | C11 | H19 | 56.3° | 179.8° |
| C13 | C12 | H20 | H21 | 120.9° | 120.6° |
| C12 | C13 | H23 | H22 | 119.8° | 120.4° |
| C12 | C13 | C14 | H24 | 67.4° | 58.3° |
| C12 | C13 | C14 | H25 | 174.2° | 177.7° |
| C13 | C14 | C15 | H24 | 120.8° | 120.4° |
| C13 | C14 | C15 | H25 | 120.8° | 120.3° |
| C13 | C14 | C15 | C16 | 76.6° | 163.2° |
| C14 | C13 | C12 | H20 | 57.0° | 56.5° |
| C14 | C13 | C12 | H21 | 177.7° | 177.1° |
| C14 | C13 | H23 | H22 | 119.8° | 120.4° |
| C13 | C14 | H24 | H25 | 117.5° | 119.4° |
| C13 | C14 | C15 | H2 | 162.4° | 72.8° |
| C14 | C15 | C16 | H2 | 120.8° | 123.8° |
| C14 | C15 | C10 | H1 | 82.2° | 170.6° |
| C15 | C14 | C13 | H23 | 173.5° | 57.8° |
| C15 | C14 | C13 | H22 | 66.7° | 178.1° |
| C15 | C14 | H24 | H25 | 117.4° | 119.4° |
| C14 | C15 | C16 | H26 | 44.2° | 38.9° |
| C14 | C15 | C16 | H27 | 78.6° | 162.2° |
| C16 | C15 | C10 | H1 | 155.1° | 76.8° |
| C16 | C15 | C14 | H24 | 162.6° | 42.8° |
| C16 | C15 | C14 | H25 | 44.2° | 76.5° |
| C15 | C16 | H26 | H27 | 124.0° | 123.5° |
| C15 | C16 | C9 | H5 | 92.9° | 142.1° |
| C17 | C18 | C19 | N4 | 117.4° | 120.0° |
| C17 | C18 | C19 | H6 | 117.7° | 120.0° |
| C17 | C18 | N4 | H6 | 122.0° | 120.0° |
| C17 | C18 | C19 | C20 | 176.0° | 173.8° |
| C17 | C18 | N4 | C27 | 119.0° | 155.0° |
| C17 | C18 | C19 | H29 | 64.2° | 53.8° |
| C17 | C18 | C19 | H28 | 56.1° | 66.2° |
| C17 | C18 | N4 | H37 | 61.0° | 25.0° |
| O6 | C17 | C18 | C19 | 71.8° | 112.1° |
| O6 | C17 | C18 | N4 | 47.8° | 7.9° |
| O6 | C17 | C18 | H6 | 170.6° | 127.9° |
| C19 | C18 | N4 | H6 | 124.0° | 120.0° |
| C18 | C19 | C20 | H29 | 119.9° | 120.0° |
| C18 | C19 | C20 | H28 | 119.9° | 120.0° |
| C18 | C19 | C20 | C21 | 98.7° | 96.5° |
| C18 | C19 | C20 | C26 | 85.5° | 83.8° |
| C19 | C18 | N4 | C27 | 127.0° | 85.0° |
| C18 | C19 | H29 | H28 | 120.3° | 120.0° |
| C19 | C18 | N4 | H37 | 53.0° | 95.0° |
| N4 | C18 | C19 | C20 | 66.6° | 66.2° |
| C18 | N4 | C27 | H37 | 180.0° | 180.0° |
| C18 | N4 | C27 | C28 | 179.4° | 180.0° |
| C18 | N4 | C27 | O5 | 11.2° | 0.3° |
| N4 | C18 | C19 | H29 | 53.3° | 173.8° |
| N4 | C18 | C19 | H28 | 173.5° | 53.8° |
| C19 | C20 | C21 | C26 | 175.7° | 179.7° |
| C19 | C20 | C21 | C22 | 179.2° | 180.0° |
| C19 | C20 | C26 | C25 | 178.6° | 179.8° |
| C20 | C19 | C18 | H6 | 58.3° | 53.8° |
| C20 | C19 | H29 | H28 | 120.4° | 120.0° |
| C19 | C20 | C21 | H30 | 0.7° | 0.0° |
| C19 | C20 | C26 | H36 | 1.4° | 0.0° |
| C20 | C21 | C22 | H30 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.6° | 0.0° |
| C21 | C20 | C26 | C25 | 2.9° | 0.5° |
| C21 | C20 | C19 | H29 | 21.2° | 143.5° |
| C21 | C20 | C19 | H28 | 141.4° | 23.5° |
| C20 | C21 | C22 | H31 | 178.4° | 180.0° |
| C21 | C20 | C26 | H36 | 177.1° | 179.7° |
| C26 | C20 | C21 | C22 | 3.6° | 0.3° |
| C20 | C26 | C25 | C23 | 0.5° | 0.5° |
| C20 | C26 | C25 | H36 | 180.0° | 179.8° |
| C26 | C20 | C19 | H29 | 154.6° | 36.2° |
| C26 | C20 | C19 | H28 | 34.4° | 156.2° |
| C26 | C20 | C21 | H30 | 176.4° | 179.7° |
| C20 | C26 | C25 | H35 | 179.5° | 179.7° |
| C21 | C22 | C23 | H31 | 180.0° | 180.0° |
| C21 | C22 | C23 | O4 | 180.0° | 180.0° |
| C21 | C22 | C23 | C25 | 0.8° | 0.0° |
| C22 | C23 | O4 | C25 | 179.2° | 179.9° |
| C22 | C23 | O4 | C24 | 6.3° | 180.0° |
| C22 | C23 | C25 | C26 | 1.4° | 0.2° |
| C23 | C22 | C21 | H30 | 178.4° | 180.0° |
| C22 | C23 | C25 | H35 | 178.6° | 180.0° |
| O4 | C23 | C25 | C26 | 179.4° | 179.7° |
| O4 | C23 | C22 | H31 | 0.0° | 0.0° |
| C23 | O4 | C24 | H32 | 180.0° | 180.0° |
| C23 | O4 | C24 | H34 | 60.0° | 59.9° |
| C23 | O4 | C24 | H33 | 60.0° | 60.0° |
| O4 | C23 | C25 | H35 | 0.6° | 0.1° |
| C25 | C23 | O4 | C24 | 172.9° | 0.1° |
| C23 | C25 | C26 | H35 | 180.0° | 179.8° |
| C25 | C23 | C22 | H31 | 179.2° | 180.0° |
| C23 | C25 | C26 | H36 | 179.5° | 179.7° |
| O4 | C24 | H32 | H34 | 120.0° | 120.0° |
| O4 | C24 | H32 | H33 | 120.0° | 120.0° |
| O4 | C24 | H34 | H33 | 120.0° | 120.0° |
| N4 | C27 | C28 | O5 | 167.7° | 179.7° |
| N4 | C27 | C28 | N5 | 11.2° | 0.3° |
| N4 | C27 | C28 | C36 | 167.5° | 179.8° |
| C27 | N4 | C18 | H6 | 3.0° | 35.0° |
| C27 | C28 | N5 | C36 | 178.4° | 179.9° |
| C27 | C28 | N5 | C29 | 178.1° | 180.0° |
| C27 | C28 | C36 | C35 | 178.4° | 180.0° |
| C27 | C28 | C36 | H43 | 1.6° | 0.0° |
| C28 | C27 | N4 | H37 | 0.6° | 0.0° |
| O5 | C27 | C28 | N5 | 178.8° | 180.0° |
| O5 | C27 | C28 | C36 | 0.1° | 0.0° |
| O5 | C27 | N4 | H37 | 168.8° | 179.7° |
| C28 | N5 | C29 | C30 | 179.6° | 180.0° |
| C28 | N5 | C29 | C34 | 2.6° | 0.0° |
| N5 | C28 | C36 | C35 | 0.1° | 0.0° |
| N5 | C28 | C36 | H43 | 179.9° | 180.0° |
| C36 | C28 | N5 | C29 | 3.4° | 0.0° |
| C28 | C36 | C35 | C34 | 3.2° | 0.1° |
| C28 | C36 | C35 | H43 | 180.0° | 180.0° |
| C28 | C36 | C35 | H42 | 176.8° | 180.0° |
| N5 | C29 | C30 | C34 | 178.0° | 180.0° |
| N5 | C29 | C30 | C31 | 176.9° | 180.0° |
| N5 | C29 | C34 | C33 | 177.8° | 180.0° |
| N5 | C29 | C34 | C35 | 0.7° | 0.0° |
| N5 | C29 | C30 | H38 | 3.1° | 0.1° |
| C29 | C30 | C31 | H38 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 1.0° | 0.1° |
| C30 | C29 | C34 | C33 | 0.8° | 0.0° |
| C30 | C29 | C34 | C35 | 178.0° | 179.9° |
| C29 | C30 | C31 | H39 | 179.0° | 179.9° |
| C34 | C29 | C30 | C31 | 1.1° | 0.0° |
| C29 | C34 | C33 | C32 | 0.4° | 0.0° |
| C29 | C34 | C33 | C35 | 176.8° | 179.9° |
| C29 | C34 | C35 | C36 | 3.4° | 0.0° |
| C34 | C29 | C30 | H38 | 178.9° | 179.9° |
| C29 | C34 | C33 | H41 | 179.6° | 179.9° |
| C29 | C34 | C35 | H42 | 176.7° | 180.0° |
| C30 | C31 | C32 | H39 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.4° | 0.1° |
| C30 | C31 | C32 | H40 | 179.7° | 180.0° |
| C31 | C32 | C33 | H40 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H38 | 179.0° | 180.0° |
| C31 | C32 | C33 | H41 | 179.9° | 180.0° |
| C32 | C33 | C34 | H41 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 177.2° | 179.9° |
| C33 | C32 | C31 | H39 | 179.7° | 179.9° |
| C33 | C34 | C35 | C36 | 179.5° | 180.0° |
| C34 | C33 | C32 | H40 | 179.9° | 180.0° |
| C33 | C34 | C35 | H42 | 0.5° | 0.1° |
| C34 | C35 | C36 | H42 | 180.0° | 179.9° |
| C35 | C34 | C33 | H41 | 2.8° | 0.0° |
| C34 | C35 | C36 | H43 | 176.8° | 180.0° |
| H1 | C10 | C11 | H18 | 50.6° | 52.7° |
| H1 | C10 | C11 | H19 | 169.9° | 66.4° |
| H1 | C10 | C15 | H2 | 38.6° | 43.4° |
| H18 | C11 | C12 | H20 | 64.7° | 179.4° |
| H18 | C11 | C12 | H21 | 55.9° | 58.8° |
| H19 | C11 | C12 | H20 | 176.0° | 60.0° |
| H19 | C11 | C12 | H21 | 63.4° | 60.7° |
| H20 | C12 | C13 | H23 | 63.0° | 176.3° |
| H20 | C12 | C13 | H22 | 177.1° | 63.4° |
| H21 | C12 | C13 | H23 | 57.6° | 63.1° |
| H21 | C12 | C13 | H22 | 62.2° | 57.2° |
| H23 | C13 | C14 | H24 | 52.7° | 178.1° |
| H23 | C13 | C14 | H25 | 65.7° | 62.5° |
| H22 | C13 | C14 | H24 | 172.5° | 61.6° |
| H22 | C13 | C14 | H25 | 54.1° | 57.8° |
| H24 | C14 | C15 | H2 | 41.6° | 166.8° |
| H25 | C14 | C15 | H2 | 76.8° | 47.5° |
| H2 | C15 | C16 | H26 | 165.0° | 84.9° |
| H2 | C15 | C16 | H27 | 42.2° | 38.4° |
| H26 | C16 | C9 | H5 | 148.5° | 99.6° |
| H27 | C16 | C9 | H5 | 25.8° | 23.6° |
| H6 | C18 | C19 | H29 | 178.1° | 66.2° |
| H6 | C18 | C19 | H28 | 61.7° | 173.8° |
| H6 | C18 | N4 | H37 | 177.0° | 145.0° |
| H3 | C2 | C3 | H8 | 177.1° | 66.2° |
| H3 | C2 | C3 | H9 | 58.0° | 173.8° |
| H3 | C2 | C8 | H15 | 70.4° | 65.0° |
| H3 | C2 | C8 | H16 | 169.2° | 55.0° |
| H3 | C2 | N1 | H7 | 169.2° | 142.4° |
| H30 | C21 | C22 | H31 | 1.6° | 0.0° |
| H32 | C24 | H34 | H33 | 120.0° | 120.0° |
| H35 | C25 | C26 | H36 | 0.5° | 0.0° |
| H8 | C3 | C4 | H4 | 59.4° | 170.8° |
| H9 | C3 | C4 | H4 | 178.5° | 69.2° |
| H38 | C30 | C31 | H39 | 0.9° | 0.0° |
| H39 | C31 | C32 | H40 | 0.3° | 0.0° |
| H40 | C32 | C33 | H41 | 0.1° | 0.1° |
| H42 | C35 | C36 | H43 | 3.2° | 0.0° |
| H4 | C4 | C5 | H10 | 149.7° | 24.1° |
| H4 | C4 | C5 | H11 | 27.8° | 147.9° |
| H10 | C5 | C6 | H12 | 26.9° | 24.5° |
| H10 | C5 | C6 | H13 | 148.6° | 97.6° |
| H11 | C5 | C6 | H12 | 95.0° | 148.3° |
| H11 | C5 | C6 | H13 | 26.7° | 26.2° |
| H12 | C6 | N2 | H14 | 44.2° | 78.0° |
| H13 | C6 | N2 | H14 | 77.5° | 44.0° |
| H15 | C8 | O3 | H17 | 60.2° | 60.0° |
| H16 | C8 | O3 | H17 | 60.3° | 60.0° |
