EGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C18 | sing | 1.35Å | 1.34Å | |
| O6 | C19 | sing | 1.45Å | 1.45Å | |
| C18 | O5 | doub | 1.22Å | 1.22Å | |
| C18 | C17 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | doub | 1.33Å | 1.32Å | |
| C16 | C10 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | doub | 1.31Å | 1.32Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | N3 | sing | 1.48Å | 1.45Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| O4 | C15 | doub | 1.21Å | 1.24Å | |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C15 | C12 | sing | 1.51Å | 1.52Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| N3 | C9 | sing | 1.36Å | 1.34Å | |
| N4 | C14 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.47Å | |
| O3 | C9 | doub | 1.21Å | 1.23Å | |
| C23 | O7 | sing | 1.43Å | 1.43Å | |
| O7 | C24 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | C24 | sing | 1.53Å | 1.54Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C30 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C6 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | O1 | doub | 1.21Å | 1.24Å | |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| N5 | C4 | doub | 1.31Å | 1.31Å | Aromatic |
| N5 | O8 | sing | 1.21Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.40Å | Aromatic |
| O8 | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| N1 | H40 | sing | 0.97Å | 1.00Å | |
| N2 | H41 | sing | 0.97Å | 1.00Å | |
| N3 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O6 | C19 | 115.7° | 116.8° |
| O6 | C18 | O5 | 123.1° | 120.0° |
| O6 | C18 | C17 | 111.1° | 120.0° |
| O6 | C19 | C20 | 109.7° | 109.2° |
| O6 | C19 | H16 | 109.4° | 109.5° |
| O6 | C19 | H17 | 109.4° | 109.5° |
| O5 | C18 | C17 | 125.8° | 120.0° |
| C18 | C17 | C16 | 123.4° | 120.0° |
| C18 | C17 | H14 | 118.3° | 120.0° |
| C19 | C20 | C21 | 124.6° | 120.1° |
| C20 | C19 | H16 | 109.4° | 109.5° |
| C20 | C19 | H17 | 109.4° | 109.5° |
| C19 | C20 | H18 | 117.7° | 119.9° |
| C17 | C16 | C10 | 128.1° | 120.0° |
| C17 | C16 | H12 | 116.0° | 120.0° |
| C16 | C17 | H14 | 118.3° | 120.0° |
| C16 | C10 | C11 | 109.9° | 109.7° |
| C16 | C10 | N3 | 111.0° | 108.8° |
| C16 | C10 | H4 | 107.8° | 109.6° |
| C10 | C16 | H12 | 115.9° | 120.0° |
| C20 | C21 | C22 | 126.0° | 120.0° |
| C21 | C20 | H18 | 117.7° | 120.0° |
| C20 | C21 | H19 | 117.0° | 120.0° |
| C10 | C11 | C12 | 114.2° | 109.5° |
| C11 | C10 | N3 | 111.3° | 109.6° |
| C11 | C10 | H4 | 107.8° | 109.6° |
| C10 | C11 | H5 | 108.3° | 109.5° |
| C10 | C11 | H6 | 108.3° | 109.5° |
| C11 | C12 | C13 | 117.7° | 110.5° |
| C11 | C12 | C15 | 113.9° | 110.4° |
| C12 | C11 | H5 | 108.3° | 109.5° |
| C12 | C11 | H6 | 108.3° | 109.4° |
| C11 | C12 | H7 | 107.2° | 110.4° |
| C10 | N3 | C9 | 122.2° | 115.9° |
| N3 | C10 | H4 | 108.8° | 109.6° |
| C10 | N3 | H42 | 118.9° | 122.0° |
| C21 | C22 | C23 | 113.7° | 109.5° |
| C22 | C21 | H19 | 117.0° | 120.0° |
| C21 | C22 | H20 | 108.4° | 109.4° |
| C21 | C22 | H21 | 108.4° | 109.4° |
| O4 | C15 | C12 | 125.7° | 125.0° |
| O4 | C15 | N4 | 125.8° | 125.0° |
| C12 | C13 | C14 | 103.5° | 101.7° |
| C13 | C12 | C15 | 102.6° | 104.3° |
| C13 | C12 | H7 | 107.4° | 110.5° |
| C12 | C13 | H8 | 111.0° | 111.0° |
| C12 | C13 | H9 | 110.9° | 111.0° |
| C13 | C14 | N4 | 102.3° | 105.5° |
| C14 | C13 | H8 | 110.9° | 111.0° |
| C14 | C13 | H9 | 111.0° | 110.9° |
| C13 | C14 | H10 | 111.2° | 110.2° |
| C13 | C14 | H11 | 111.2° | 110.3° |
| C12 | C15 | N4 | 108.4° | 110.0° |
| C15 | C12 | H7 | 107.4° | 110.5° |
| C15 | N4 | C14 | 113.2° | 111.3° |
| C15 | N4 | H43 | 123.4° | 124.4° |
| N3 | C9 | O3 | 122.8° | 120.5° |
| N3 | C9 | C8 | 116.5° | 118.9° |
| C9 | N3 | H42 | 118.9° | 122.1° |
| N4 | C14 | H10 | 111.2° | 110.3° |
| N4 | C14 | H11 | 111.2° | 110.4° |
| C14 | N4 | H43 | 123.4° | 124.3° |
| C22 | C23 | O7 | 122.7° | 109.5° |
| C23 | C22 | H20 | 108.4° | 109.5° |
| C23 | C22 | H21 | 108.4° | 109.5° |
| C22 | C23 | H22 | 106.1° | 109.5° |
| C22 | C23 | H23 | 106.1° | 109.5° |
| O3 | C9 | C8 | 120.6° | 120.6° |
| C23 | O7 | C24 | 114.7° | 114.0° |
| O7 | C23 | H22 | 106.1° | 109.4° |
| O7 | C23 | H23 | 106.1° | 109.5° |
| O7 | C24 | C8 | 111.7° | 109.5° |
| O7 | C24 | C25 | 112.2° | 109.4° |
| O7 | C24 | H24 | 108.1° | 109.4° |
| C9 | C8 | C24 | 115.2° | 109.4° |
| C9 | C8 | N2 | 111.7° | 109.5° |
| C9 | C8 | H39 | 107.2° | 109.5° |
| C24 | C8 | N2 | 107.2° | 109.5° |
| C8 | C24 | C25 | 110.9° | 109.5° |
| C8 | C24 | H24 | 106.7° | 109.5° |
| C24 | C8 | H39 | 107.1° | 109.4° |
| C8 | N2 | C7 | 123.6° | 120.0° |
| N2 | C8 | H39 | 108.1° | 109.5° |
| C8 | N2 | H41 | 118.2° | 120.0° |
| C24 | C25 | C30 | 120.6° | 120.0° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C25 | C24 | H24 | 107.0° | 109.5° |
| C25 | C30 | C29 | 120.6° | 120.0° |
| C30 | C25 | C26 | 118.7° | 120.0° |
| C25 | C30 | H30 | 119.7° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | H28 | 120.0° | 120.0° |
| C29 | C30 | H30 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C25 | C26 | H25 | 119.8° | 120.0° |
| O2 | C7 | N2 | 123.3° | 120.0° |
| O2 | C7 | C6 | 121.2° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.0° |
| C29 | C28 | H27 | 120.1° | 120.0° |
| C28 | C29 | H28 | 119.9° | 120.0° |
| N2 | C7 | C6 | 115.5° | 120.0° |
| C7 | N2 | H41 | 118.2° | 120.0° |
| C33 | C31 | C6 | 111.4° | 109.5° |
| C33 | C31 | C32 | 110.5° | 109.5° |
| C33 | C31 | H31 | 107.9° | 109.5° |
| C31 | C33 | H35 | 109.5° | 109.5° |
| C31 | C33 | H36 | 109.5° | 109.5° |
| C31 | C33 | H37 | 109.4° | 109.5° |
| C7 | C6 | C31 | 111.9° | 109.5° |
| C7 | C6 | N1 | 109.9° | 109.5° |
| C7 | C6 | H38 | 107.1° | 109.4° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C27 | C26 | H25 | 119.9° | 120.0° |
| C26 | C27 | H26 | 119.8° | 120.0° |
| C28 | C27 | H26 | 119.8° | 120.0° |
| C27 | C28 | H27 | 120.0° | 120.0° |
| C6 | C31 | C32 | 111.3° | 109.5° |
| C31 | C6 | N1 | 112.7° | 109.5° |
| C6 | C31 | H31 | 107.6° | 109.5° |
| C31 | C6 | H38 | 107.0° | 109.5° |
| C32 | C31 | H31 | 107.9° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H33 | 109.5° | 109.5° |
| C31 | C32 | H34 | 109.5° | 109.5° |
| C6 | N1 | C5 | 121.1° | 120.0° |
| N1 | C6 | H38 | 108.0° | 109.5° |
| C6 | N1 | H40 | 119.5° | 120.0° |
| N1 | C5 | O1 | 122.2° | 120.0° |
| N1 | C5 | C4 | 115.7° | 120.0° |
| C5 | N1 | H40 | 119.4° | 120.0° |
| O1 | C5 | C4 | 122.1° | 120.0° |
| C5 | C4 | N5 | 121.2° | 127.0° |
| C5 | C4 | C3 | 127.7° | 126.9° |
| C4 | N5 | O8 | 105.8° | 111.5° |
| N5 | C4 | C3 | 111.0° | 106.1° |
| N5 | O8 | C2 | 108.5° | 111.9° |
| C4 | C3 | C2 | 105.6° | 103.9° |
| C4 | C3 | H29 | 127.2° | 128.1° |
| O8 | C2 | C3 | 109.0° | 106.7° |
| O8 | C2 | C1 | 116.1° | 126.7° |
| C3 | C2 | C1 | 134.9° | 126.6° |
| C2 | C3 | H29 | 127.2° | 128.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 110.9° |
| H10 | C14 | H11 | 109.5° | 110.2° |
| H16 | C19 | H17 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H32 | C32 | H34 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H35 | C33 | H37 | 109.4° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C18 | O5 | C17 | 179.2° | 180.0° |
| C18 | O6 | C19 | C20 | 67.5° | 67.6° |
| O6 | C18 | C17 | C16 | 154.4° | 179.3° |
| O6 | C18 | C17 | H14 | 25.6° | 1.0° |
| C18 | O6 | C19 | H16 | 52.6° | 172.5° |
| C18 | O6 | C19 | H17 | 172.5° | 52.4° |
| C19 | O6 | C18 | O5 | 44.2° | 1.6° |
| C19 | O6 | C18 | C17 | 136.5° | 178.4° |
| O6 | C19 | C20 | H16 | 120.0° | 119.9° |
| O6 | C19 | C20 | H17 | 120.0° | 119.9° |
| O6 | C19 | C20 | C21 | 119.4° | 129.6° |
| O6 | C19 | H16 | H17 | 119.9° | 120.1° |
| O6 | C19 | C20 | H18 | 60.7° | 50.4° |
| O5 | C18 | C17 | C16 | 26.4° | 0.7° |
| O5 | C18 | C17 | H14 | 153.7° | 179.0° |
| C18 | C17 | C16 | H14 | 180.0° | 179.7° |
| C18 | C17 | C16 | C10 | 27.8° | 0.6° |
| C18 | C17 | C16 | H12 | 152.2° | 179.4° |
| C19 | C20 | C21 | H18 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 179.1° | 179.9° |
| C20 | C19 | H16 | H17 | 119.9° | 120.2° |
| C19 | C20 | C21 | H19 | 0.9° | 0.0° |
| C17 | C16 | C10 | H12 | 180.0° | 180.0° |
| C17 | C16 | C10 | C11 | 135.8° | 161.1° |
| C17 | C16 | C10 | N3 | 100.5° | 79.0° |
| C17 | C16 | C10 | H4 | 18.6° | 40.7° |
| C16 | C10 | C11 | N3 | 123.5° | 119.4° |
| C16 | C10 | C11 | H4 | 117.3° | 120.3° |
| C16 | C10 | C11 | C12 | 175.9° | 65.9° |
| C16 | C10 | N3 | H4 | 118.5° | 119.8° |
| C16 | C10 | N3 | C9 | 118.9° | 179.2° |
| C16 | C10 | C11 | H5 | 63.5° | 174.0° |
| C16 | C10 | C11 | H6 | 55.2° | 54.0° |
| C10 | C16 | C17 | H14 | 152.1° | 179.7° |
| C16 | C10 | N3 | H42 | 61.1° | 0.7° |
| C20 | C21 | C22 | H19 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 79.8° | 126.5° |
| C21 | C20 | C19 | H16 | 120.6° | 110.5° |
| C21 | C20 | C19 | H17 | 0.7° | 9.7° |
| C20 | C21 | C22 | H20 | 40.9° | 113.4° |
| C20 | C21 | C22 | H21 | 159.6° | 6.5° |
| C10 | C11 | C12 | H5 | 120.7° | 120.0° |
| C10 | C11 | C12 | H6 | 120.7° | 120.0° |
| C11 | C10 | N3 | H4 | 118.6° | 120.3° |
| C10 | C11 | C12 | C13 | 62.5° | 173.1° |
| C10 | C11 | C12 | C15 | 177.3° | 72.0° |
| C11 | C10 | N3 | C9 | 118.2° | 59.3° |
| C10 | C11 | H5 | H6 | 117.9° | 120.0° |
| C10 | C11 | C12 | H7 | 58.6° | 50.6° |
| C11 | C10 | C16 | H12 | 44.2° | 18.9° |
| C11 | C10 | N3 | H42 | 61.8° | 120.7° |
| C12 | C11 | C10 | N3 | 60.6° | 174.7° |
| C11 | C12 | C15 | O4 | 34.3° | 45.2° |
| C11 | C12 | C13 | C15 | 125.9° | 118.7° |
| C11 | C12 | C13 | H7 | 121.0° | 122.5° |
| C11 | C12 | C13 | C14 | 155.4° | 143.5° |
| C11 | C12 | C15 | H7 | 118.6° | 122.5° |
| C11 | C12 | C15 | N4 | 146.5° | 134.8° |
| C12 | C11 | C10 | H4 | 58.6° | 54.4° |
| C12 | C11 | H5 | H6 | 117.9° | 120.0° |
| C11 | C12 | C13 | H8 | 36.4° | 25.3° |
| C11 | C12 | C13 | H9 | 85.6° | 98.5° |
| C10 | N3 | C9 | H42 | 180.0° | 180.0° |
| C10 | N3 | C9 | O3 | 8.3° | 0.1° |
| C10 | N3 | C9 | C8 | 173.3° | 179.9° |
| N3 | C10 | C11 | H5 | 60.0° | 54.6° |
| N3 | C10 | C11 | H6 | 178.7° | 65.4° |
| N3 | C10 | C16 | H12 | 79.5° | 101.0° |
| C21 | C22 | C23 | H20 | 120.6° | 120.0° |
| C21 | C22 | C23 | H21 | 120.6° | 120.0° |
| C21 | C22 | C23 | O7 | 71.7° | 63.4° |
| C22 | C21 | C20 | H18 | 0.9° | 0.1° |
| C21 | C22 | H20 | H21 | 118.1° | 119.9° |
| C21 | C22 | C23 | H22 | 166.4° | 56.6° |
| C21 | C22 | C23 | H23 | 50.1° | 176.6° |
| O4 | C15 | C12 | C13 | 162.7° | 163.8° |
| O4 | C15 | C12 | N4 | 179.2° | 180.0° |
| O4 | C15 | N4 | C14 | 177.8° | 179.5° |
| O4 | C15 | C12 | H7 | 84.3° | 77.4° |
| O4 | C15 | N4 | H43 | 2.2° | 0.3° |
| C12 | C13 | C14 | H8 | 119.0° | 118.2° |
| C12 | C13 | C14 | H9 | 119.0° | 118.1° |
| C13 | C12 | C15 | H7 | 113.0° | 118.8° |
| C13 | C12 | C15 | N4 | 18.1° | 16.1° |
| C12 | C13 | C14 | N4 | 30.2° | 25.5° |
| C13 | C12 | C11 | H5 | 176.8° | 66.9° |
| C13 | C12 | C11 | H6 | 58.2° | 53.1° |
| C12 | C13 | H8 | H9 | 122.8° | 123.8° |
| C12 | C13 | C14 | H10 | 149.0° | 144.5° |
| C12 | C13 | C14 | H11 | 88.7° | 93.7° |
| C14 | C13 | C12 | C15 | 29.5° | 24.8° |
| C13 | C14 | N4 | C15 | 20.4° | 17.1° |
| C13 | C14 | N4 | H10 | 118.8° | 119.0° |
| C13 | C14 | N4 | H11 | 118.8° | 119.1° |
| C14 | C13 | C12 | H7 | 83.6° | 94.0° |
| C14 | C13 | H8 | H9 | 122.8° | 123.8° |
| C13 | C14 | H10 | H11 | 123.3° | 121.9° |
| C13 | C14 | N4 | H43 | 159.6° | 163.1° |
| C12 | C15 | N4 | C14 | 1.5° | 0.6° |
| C15 | C12 | C11 | H5 | 56.6° | 48.0° |
| C15 | C12 | C11 | H6 | 62.0° | 168.0° |
| C15 | C12 | C13 | H8 | 89.6° | 93.4° |
| C15 | C12 | C13 | H9 | 148.5° | 142.8° |
| C12 | C15 | N4 | H43 | 178.5° | 179.6° |
| C15 | N4 | C14 | H43 | 180.0° | 179.8° |
| N4 | C15 | C12 | H7 | 94.9° | 102.6° |
| C15 | N4 | C14 | H10 | 139.2° | 136.1° |
| C15 | N4 | C14 | H11 | 98.4° | 101.9° |
| N3 | C9 | O3 | C8 | 178.4° | 180.0° |
| N3 | C9 | C8 | C24 | 113.7° | 108.8° |
| N3 | C9 | C8 | N2 | 123.7° | 131.2° |
| C9 | N3 | C10 | H4 | 0.4° | 61.0° |
| N3 | C9 | C8 | H39 | 5.4° | 11.1° |
| N4 | C14 | C13 | H8 | 88.9° | 92.7° |
| N4 | C14 | C13 | H9 | 149.2° | 143.5° |
| N4 | C14 | H10 | H11 | 123.3° | 122.1° |
| C22 | C23 | O7 | H22 | 121.8° | 120.0° |
| C22 | C23 | O7 | H23 | 121.8° | 120.0° |
| C22 | C23 | O7 | C24 | 105.8° | 172.9° |
| C23 | C22 | C21 | H19 | 100.2° | 53.4° |
| C23 | C22 | H20 | H21 | 118.1° | 120.1° |
| C22 | C23 | H22 | H23 | 114.0° | 120.0° |
| O3 | C9 | C8 | C24 | 67.8° | 71.2° |
| O3 | C9 | C8 | N2 | 54.8° | 48.8° |
| O3 | C9 | C8 | H39 | 173.1° | 168.9° |
| O3 | C9 | N3 | H42 | 171.7° | 179.9° |
| C23 | O7 | C24 | C8 | 148.6° | 175.0° |
| C23 | O7 | C24 | C25 | 86.2° | 55.0° |
| O7 | C23 | C22 | H20 | 48.9° | 176.6° |
| O7 | C23 | C22 | H21 | 167.6° | 56.5° |
| O7 | C23 | H22 | H23 | 114.1° | 120.0° |
| C23 | O7 | C24 | H24 | 31.5° | 64.9° |
| O7 | C24 | C8 | C9 | 21.0° | 64.8° |
| O7 | C24 | C8 | C25 | 126.0° | 120.0° |
| O7 | C24 | C8 | H24 | 117.9° | 120.0° |
| O7 | C24 | C8 | N2 | 145.9° | 175.2° |
| O7 | C24 | C25 | H24 | 118.4° | 119.9° |
| O7 | C24 | C25 | C30 | 89.5° | 39.8° |
| O7 | C24 | C25 | C26 | 91.8° | 140.0° |
| C24 | O7 | C23 | H22 | 16.0° | 67.0° |
| C24 | O7 | C23 | H23 | 132.4° | 52.9° |
| O7 | C24 | C8 | H39 | 98.2° | 55.2° |
| C9 | C8 | C24 | N2 | 125.0° | 120.0° |
| C9 | C8 | C24 | H39 | 119.2° | 120.0° |
| C9 | C8 | N2 | H39 | 117.8° | 120.1° |
| C9 | C8 | C24 | C25 | 147.0° | 175.2° |
| C9 | C8 | N2 | C7 | 48.8° | 83.7° |
| C9 | C8 | C24 | H24 | 96.9° | 55.2° |
| C9 | C8 | N2 | H41 | 131.2° | 96.3° |
| C8 | C9 | N3 | H42 | 6.7° | 0.1° |
| C24 | C8 | N2 | H39 | 115.2° | 120.0° |
| C8 | C24 | C25 | H24 | 115.9° | 120.0° |
| C8 | C24 | C25 | C30 | 36.1° | 80.3° |
| C8 | C24 | C25 | C26 | 142.6° | 100.0° |
| C24 | C8 | N2 | C7 | 175.8° | 156.4° |
| C24 | C8 | N2 | H41 | 4.2° | 23.7° |
| N2 | C8 | C24 | C25 | 88.1° | 55.2° |
| C8 | N2 | C7 | O2 | 13.7° | 4.9° |
| C8 | N2 | C7 | H41 | 180.0° | 179.9° |
| C8 | N2 | C7 | C6 | 166.9° | 175.1° |
| N2 | C8 | C24 | H24 | 28.0° | 64.8° |
| C24 | C25 | C30 | C26 | 178.7° | 179.7° |
| C24 | C25 | C30 | C29 | 179.3° | 179.7° |
| C24 | C25 | C26 | C27 | 179.3° | 179.9° |
| C24 | C25 | C26 | H25 | 0.7° | 0.0° |
| C24 | C25 | C30 | H30 | 0.7° | 0.0° |
| C25 | C24 | C8 | H39 | 27.8° | 64.8° |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.3° | 0.6° |
| C30 | C25 | C26 | C27 | 0.6° | 0.3° |
| C30 | C25 | C24 | H24 | 152.1° | 159.7° |
| C30 | C25 | C26 | H25 | 179.4° | 179.8° |
| C25 | C30 | C29 | H28 | 179.8° | 179.7° |
| C29 | C30 | C25 | C26 | 0.6° | 0.6° |
| C30 | C29 | C28 | H28 | 180.0° | 179.7° |
| C30 | C29 | C28 | C27 | 0.1° | 0.3° |
| C30 | C29 | C28 | H27 | 179.9° | 179.7° |
| C25 | C26 | C27 | H25 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C26 | C25 | C24 | H24 | 26.6° | 20.0° |
| C25 | C26 | C27 | H26 | 179.7° | 180.0° |
| C26 | C25 | C30 | H30 | 179.4° | 179.7° |
| O2 | C7 | N2 | C6 | 179.4° | 180.0° |
| O2 | C7 | C6 | C31 | 84.9° | 103.7° |
| O2 | C7 | C6 | N1 | 41.1° | 16.3° |
| O2 | C7 | C6 | H38 | 158.1° | 136.4° |
| O2 | C7 | N2 | H41 | 166.3° | 175.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H27 | 180.0° | 179.9° |
| C29 | C28 | C27 | H26 | 179.9° | 180.0° |
| C28 | C29 | C30 | H30 | 179.7° | 179.7° |
| N2 | C7 | C6 | C31 | 95.6° | 76.3° |
| N2 | C7 | C6 | N1 | 138.4° | 163.6° |
| N2 | C7 | C6 | H38 | 21.3° | 43.6° |
| C7 | N2 | C8 | H39 | 69.0° | 36.4° |
| C33 | C31 | C6 | C7 | 60.4° | 177.9° |
| C33 | C31 | C6 | C32 | 123.8° | 120.0° |
| C33 | C31 | C6 | H31 | 118.1° | 120.0° |
| C33 | C31 | C32 | H31 | 117.8° | 120.0° |
| C33 | C31 | C6 | N1 | 64.0° | 57.9° |
| C33 | C31 | C32 | H32 | 180.0° | 57.4° |
| C33 | C31 | C32 | H33 | 60.0° | 62.6° |
| C33 | C31 | C32 | H34 | 60.0° | 177.4° |
| C31 | C33 | H35 | H36 | 120.0° | 120.0° |
| C31 | C33 | H35 | H37 | 120.0° | 120.0° |
| C31 | C33 | H36 | H37 | 120.0° | 120.0° |
| C33 | C31 | C6 | H38 | 177.5° | 62.1° |
| C7 | C6 | C31 | N1 | 124.4° | 120.0° |
| C7 | C6 | C31 | H38 | 117.0° | 120.0° |
| C7 | C6 | C31 | C32 | 175.8° | 62.1° |
| C7 | C6 | N1 | H38 | 116.5° | 120.0° |
| C7 | C6 | N1 | C5 | 105.0° | 155.0° |
| C7 | C6 | C31 | H31 | 57.7° | 57.9° |
| C7 | C6 | N1 | H40 | 75.0° | 25.0° |
| C6 | C7 | N2 | H41 | 13.1° | 5.0° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | H27 | 179.9° | 180.0° |
| C28 | C27 | C26 | H25 | 179.7° | 180.0° |
| C27 | C28 | C29 | H28 | 179.9° | 180.0° |
| C6 | C31 | C32 | H31 | 117.9° | 120.0° |
| C31 | C6 | N1 | H38 | 118.0° | 120.0° |
| C31 | C6 | N1 | C5 | 129.5° | 85.0° |
| C6 | C31 | C32 | H32 | 55.7° | 62.6° |
| C6 | C31 | C32 | H33 | 64.3° | 177.4° |
| C6 | C31 | C32 | H34 | 175.7° | 57.4° |
| C6 | C31 | C33 | H35 | 180.0° | 60.0° |
| C6 | C31 | C33 | H36 | 60.0° | 180.0° |
| C6 | C31 | C33 | H37 | 60.0° | 60.0° |
| C31 | C6 | N1 | H40 | 50.5° | 95.0° |
| C32 | C31 | C6 | N1 | 59.8° | 177.9° |
| C31 | C32 | H32 | H33 | 120.0° | 120.0° |
| C31 | C32 | H32 | H34 | 120.0° | 120.0° |
| C31 | C32 | H33 | H34 | 120.0° | 120.0° |
| C32 | C31 | C33 | H35 | 55.8° | 180.0° |
| C32 | C31 | C33 | H36 | 64.3° | 60.0° |
| C32 | C31 | C33 | H37 | 175.7° | 60.0° |
| C32 | C31 | C6 | H38 | 58.7° | 57.9° |
| C6 | N1 | C5 | H40 | 180.0° | 180.0° |
| C6 | N1 | C5 | O1 | 7.4° | 0.0° |
| C6 | N1 | C5 | C4 | 172.4° | 180.0° |
| N1 | C6 | C31 | H31 | 177.9° | 62.1° |
| N1 | C5 | O1 | C4 | 179.8° | 180.0° |
| N1 | C5 | C4 | N5 | 2.3° | 0.0° |
| N1 | C5 | C4 | C3 | 178.3° | 180.0° |
| C5 | N1 | C6 | H38 | 11.5° | 35.0° |
| O1 | C5 | C4 | N5 | 177.9° | 180.0° |
| O1 | C5 | C4 | C3 | 1.5° | 0.0° |
| O1 | C5 | N1 | H40 | 172.6° | 180.0° |
| C5 | C4 | N5 | C3 | 179.5° | 180.0° |
| C5 | C4 | N5 | O8 | 179.7° | 179.7° |
| C5 | C4 | C3 | C2 | 179.4° | 180.0° |
| C5 | C4 | C3 | H29 | 0.6° | 0.0° |
| C4 | C5 | N1 | H40 | 7.6° | 0.0° |
| C4 | N5 | O8 | C2 | 0.3° | 0.5° |
| N5 | C4 | C3 | C2 | 0.0° | 0.0° |
| N5 | C4 | C3 | H29 | 180.0° | 180.0° |
| O8 | N5 | C4 | C3 | 0.2° | 0.3° |
| N5 | O8 | C2 | C3 | 0.3° | 0.5° |
| N5 | O8 | C2 | C1 | 179.5° | 179.8° |
| C4 | C3 | C2 | O8 | 0.2° | 0.3° |
| C4 | C3 | C2 | H29 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.6° | 180.0° |
| O8 | C2 | C3 | C1 | 179.8° | 179.7° |
| O8 | C2 | C1 | H1 | 0.0° | 90.4° |
| O8 | C2 | C1 | H2 | 120.0° | 29.6° |
| O8 | C2 | C1 | H3 | 120.0° | 149.6° |
| O8 | C2 | C3 | H29 | 179.8° | 179.7° |
| C3 | C2 | C1 | H1 | 179.8° | 90.0° |
| C3 | C2 | C1 | H2 | 59.8° | 150.0° |
| C3 | C2 | C1 | H3 | 60.2° | 30.0° |
| 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 | H29 | 0.4° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C10 | C11 | H5 | 179.2° | 65.7° |
| H4 | C10 | C11 | H6 | 62.1° | 174.3° |
| H4 | C10 | C16 | H12 | 161.4° | 139.3° |
| H4 | C10 | N3 | H42 | 179.6° | 119.0° |
| H5 | C11 | C12 | H7 | 62.1° | 170.6° |
| H6 | C11 | C12 | H7 | 179.3° | 69.4° |
| H7 | C12 | C13 | H8 | 157.4° | 147.8° |
| H7 | C12 | C13 | H9 | 35.5° | 24.0° |
| H8 | C13 | C14 | H10 | 30.0° | 26.3° |
| H8 | C13 | C14 | H11 | 152.3° | 148.2° |
| H9 | C13 | C14 | H10 | 92.0° | 97.5° |
| H9 | C13 | C14 | H11 | 30.4° | 24.4° |
| H10 | C14 | N4 | H43 | 40.8° | 44.1° |
| H11 | C14 | N4 | H43 | 81.6° | 77.9° |
| H12 | C16 | C17 | H14 | 27.9° | 0.3° |
| H16 | C19 | C20 | H18 | 59.4° | 69.6° |
| H17 | C19 | C20 | H18 | 179.3° | 170.3° |
| H18 | C20 | C21 | H19 | 179.2° | 180.0° |
| H19 | C21 | C22 | H20 | 139.1° | 66.7° |
| H19 | C21 | C22 | H21 | 20.4° | 173.4° |
| H20 | C22 | C23 | H22 | 72.9° | 63.4° |
| H20 | C22 | C23 | H23 | 170.7° | 56.6° |
| H21 | C22 | C23 | H22 | 45.8° | 176.5° |
| H21 | C22 | C23 | H23 | 70.5° | 63.5° |
| H24 | C24 | C8 | H39 | 143.9° | 175.2° |
| H25 | C26 | C27 | H26 | 0.3° | 0.0° |
| H26 | C27 | C28 | H27 | 0.1° | 0.0° |
| H27 | C28 | C29 | H28 | 0.1° | 0.0° |
| H28 | C29 | C30 | H30 | 0.3° | 0.0° |
| H31 | C31 | C32 | H32 | 62.2° | 177.4° |
| H31 | C31 | C32 | H33 | 177.8° | 57.4° |
| H31 | C31 | C32 | H34 | 57.8° | 62.6° |
| H31 | C31 | C33 | H35 | 62.0° | 60.0° |
| H31 | C31 | C33 | H36 | 177.9° | 60.0° |
| H31 | C31 | C33 | H37 | 57.9° | 180.0° |
| H31 | C31 | C6 | H38 | 59.4° | 177.9° |
| H32 | C32 | H33 | H34 | 120.0° | 119.9° |
| H35 | C33 | H36 | H37 | 120.0° | 120.0° |
| H38 | C6 | N1 | H40 | 168.5° | 145.0° |
| H39 | C8 | N2 | H41 | 111.0° | 143.7° |
