ERM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.55Å | 1.56Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C26 | C17 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.55Å | 1.51Å | |
| O2 | C17 | sing | 1.43Å | 1.43Å | |
| O2 | C25 | sing | 1.42Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N5 | sing | 1.48Å | 1.45Å | |
| C21 | N5 | sing | 1.47Å | 1.46Å | |
| C17 | N3 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C25 | O5 | sing | 1.43Å | 1.39Å | |
| C25 | N4 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.35Å | 1.35Å | |
| N5 | C20 | sing | 1.35Å | 1.33Å | |
| C5 | N2 | sing | 1.47Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C15 | N2 | sing | 1.47Å | 1.49Å | |
| C18 | N4 | sing | 1.34Å | 1.34Å | |
| C18 | O3 | doub | 1.21Å | 1.21Å | |
| C16 | C6 | sing | 1.51Å | 1.56Å | |
| C16 | O1 | doub | 1.21Å | 1.21Å | |
| N4 | C19 | sing | 1.47Å | 1.45Å | |
| N2 | C4 | sing | 1.46Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C20 | O4 | doub | 1.21Å | 1.24Å | |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C27 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | doub | 1.32Å | 1.33Å | |
| C4 | C3 | sing | 1.53Å | 1.57Å | |
| C4 | C8 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.48Å | 1.52Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | C14 | sing | 1.46Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H33 | sing | 1.09Å | 1.10Å | |
| O5 | H34 | sing | 0.97Å | 0.95Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 102.3° | 101.7° |
| C23 | C22 | C21 | 105.9° | 101.9° |
| C23 | C22 | H13 | 110.3° | 110.9° |
| C23 | C22 | H14 | 110.4° | 111.0° |
| C22 | C23 | H15 | 111.2° | 111.0° |
| C22 | C23 | H16 | 111.3° | 111.0° |
| C23 | C24 | C25 | 118.5° | 112.0° |
| C23 | C24 | N5 | 108.1° | 106.4° |
| C24 | C23 | H15 | 111.2° | 111.0° |
| C24 | C23 | H16 | 111.2° | 110.9° |
| C23 | C24 | H17 | 106.1° | 110.4° |
| C26 | C17 | O2 | 112.9° | 110.1° |
| C26 | C17 | N3 | 103.2° | 110.0° |
| C26 | C17 | C18 | 111.6° | 110.0° |
| C17 | C26 | H18 | 109.5° | 109.5° |
| C17 | C26 | H19 | 109.5° | 109.5° |
| C17 | C26 | H20 | 109.4° | 109.5° |
| C22 | C21 | N5 | 107.5° | 106.1° |
| C22 | C21 | H11 | 110.0° | 110.1° |
| C22 | C21 | H12 | 110.0° | 110.2° |
| C21 | C22 | H13 | 110.4° | 110.9° |
| C21 | C22 | H14 | 110.4° | 111.0° |
| C17 | O2 | C25 | 114.8° | 106.6° |
| O2 | C17 | N3 | 112.5° | 109.9° |
| O2 | C17 | C18 | 103.6° | 106.9° |
| O2 | C25 | C24 | 112.9° | 112.3° |
| O2 | C25 | O5 | 110.0° | 109.8° |
| O2 | C25 | N4 | 98.6° | 108.3° |
| C25 | C24 | N5 | 110.0° | 106.2° |
| C24 | C25 | O5 | 111.6° | 109.8° |
| C24 | C25 | N4 | 112.5° | 106.7° |
| C25 | C24 | H17 | 106.2° | 110.4° |
| C24 | N5 | C21 | 104.7° | 108.9° |
| C24 | N5 | C20 | 127.8° | 123.5° |
| N5 | C24 | H17 | 107.2° | 111.2° |
| C21 | N5 | C20 | 127.4° | 127.5° |
| N5 | C21 | H11 | 110.0° | 110.1° |
| N5 | C21 | H12 | 110.0° | 110.1° |
| N3 | C17 | C18 | 113.3° | 109.9° |
| C17 | N3 | C16 | 125.9° | 120.0° |
| C17 | N3 | H26 | 117.1° | 120.0° |
| C17 | C18 | N4 | 104.9° | 108.1° |
| C17 | C18 | O3 | 126.1° | 126.0° |
| O5 | C25 | N4 | 110.6° | 109.8° |
| C25 | O5 | H34 | 109.5° | 114.0° |
| C25 | N4 | C18 | 117.4° | 108.3° |
| C25 | N4 | C19 | 120.0° | 124.9° |
| N3 | C16 | C6 | 117.0° | 120.0° |
| N3 | C16 | O1 | 123.3° | 120.0° |
| C16 | N3 | H26 | 117.1° | 120.0° |
| N5 | C20 | O4 | 118.9° | 120.0° |
| N5 | C20 | C19 | 121.3° | 120.0° |
| N2 | C5 | C6 | 113.4° | 108.4° |
| C5 | N2 | C15 | 103.3° | 111.0° |
| C5 | N2 | C4 | 117.0° | 113.0° |
| N2 | C5 | H32 | 108.5° | 109.7° |
| N2 | C5 | H33 | 108.5° | 109.7° |
| C5 | C6 | C16 | 110.1° | 109.7° |
| C5 | C6 | C7 | 114.7° | 108.4° |
| C6 | C5 | H32 | 108.5° | 109.7° |
| C6 | C5 | H33 | 108.5° | 109.7° |
| C5 | C6 | H35 | 106.2° | 109.7° |
| C15 | N2 | C4 | 113.4° | 111.0° |
| N2 | C15 | H6 | 109.5° | 109.5° |
| N2 | C15 | H7 | 109.4° | 109.5° |
| N2 | C15 | H8 | 109.5° | 109.5° |
| N4 | C18 | O3 | 129.0° | 126.0° |
| C18 | N4 | C19 | 122.5° | 126.6° |
| C6 | C16 | O1 | 119.7° | 120.0° |
| C16 | C6 | C7 | 112.9° | 109.7° |
| C16 | C6 | H35 | 105.8° | 109.7° |
| N4 | C19 | C20 | 109.7° | 110.3° |
| N4 | C19 | C27 | 113.7° | 109.3° |
| N4 | C19 | H9 | 108.8° | 109.3° |
| N2 | C4 | C3 | 110.0° | 109.6° |
| N2 | C4 | C8 | 113.5° | 112.9° |
| N2 | C4 | H31 | 106.6° | 106.9° |
| C6 | C7 | C8 | 123.3° | 121.6° |
| C7 | C6 | H35 | 106.4° | 109.7° |
| C6 | C7 | H36 | 118.4° | 119.1° |
| O4 | C20 | C19 | 119.8° | 120.0° |
| C20 | C19 | C27 | 108.8° | 109.3° |
| C20 | C19 | H9 | 107.6° | 109.2° |
| C19 | C27 | C28 | 116.6° | 109.5° |
| C27 | C19 | H9 | 108.0° | 109.3° |
| C19 | C27 | H21 | 107.7° | 109.5° |
| C19 | C27 | H22 | 107.7° | 109.5° |
| C7 | C8 | C4 | 122.9° | 123.1° |
| C7 | C8 | C9 | 120.2° | 118.9° |
| C8 | C7 | H36 | 118.4° | 119.2° |
| C3 | C4 | C8 | 113.7° | 113.5° |
| C4 | C3 | C2 | 111.7° | 109.4° |
| C4 | C3 | H24 | 108.9° | 109.5° |
| C4 | C3 | H25 | 108.9° | 109.5° |
| C3 | C4 | H31 | 106.0° | 107.0° |
| C4 | C8 | C9 | 116.1° | 118.0° |
| C8 | C4 | H31 | 106.4° | 106.6° |
| C3 | C2 | C1 | 134.7° | 135.1° |
| C3 | C2 | C14 | 120.9° | 119.7° |
| C2 | C3 | H24 | 108.9° | 109.4° |
| C2 | C3 | H25 | 108.9° | 109.5° |
| C8 | C9 | C14 | 115.6° | 114.2° |
| C8 | C9 | C10 | 128.5° | 130.2° |
| C27 | C28 | C29 | 118.6° | 120.0° |
| C27 | C28 | C33 | 121.3° | 120.0° |
| C28 | C27 | H21 | 107.7° | 109.5° |
| C28 | C27 | H22 | 107.7° | 109.4° |
| C1 | C2 | C14 | 104.3° | 105.1° |
| C2 | C1 | N1 | 110.7° | 110.3° |
| C2 | C1 | H1 | 124.6° | 124.8° |
| C2 | C14 | C9 | 126.5° | 125.6° |
| C2 | C14 | C13 | 111.4° | 108.8° |
| C29 | C28 | C33 | 119.9° | 120.0° |
| C28 | C29 | C30 | 120.7° | 120.0° |
| C28 | C29 | H23 | 119.6° | 120.0° |
| C28 | C33 | C32 | 118.8° | 120.0° |
| C28 | C33 | H30 | 120.6° | 120.1° |
| C14 | C9 | C10 | 115.9° | 115.6° |
| C9 | C14 | C13 | 122.0° | 125.6° |
| C9 | C10 | C11 | 122.3° | 119.7° |
| C9 | C10 | H3 | 118.9° | 120.2° |
| C29 | C30 | C31 | 119.3° | 120.0° |
| C30 | C29 | H23 | 119.6° | 119.9° |
| C29 | C30 | H27 | 120.4° | 120.0° |
| C33 | C32 | C31 | 121.4° | 120.0° |
| C33 | C32 | H29 | 119.3° | 120.0° |
| C32 | C33 | H30 | 120.6° | 120.0° |
| C1 | N1 | C13 | 110.5° | 110.4° |
| N1 | C1 | H1 | 124.6° | 124.8° |
| C1 | N1 | H2 | 124.8° | 124.8° |
| C14 | C13 | N1 | 103.0° | 105.3° |
| C14 | C13 | C12 | 121.9° | 117.3° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | H27 | 120.3° | 120.0° |
| C30 | C31 | H28 | 120.1° | 120.0° |
| C10 | C11 | C12 | 119.6° | 124.3° |
| C11 | C10 | H3 | 118.9° | 120.1° |
| C10 | C11 | H4 | 120.2° | 117.8° |
| C32 | C31 | H28 | 120.1° | 120.0° |
| C31 | C32 | H29 | 119.3° | 120.0° |
| N1 | C13 | C12 | 135.1° | 137.3° |
| C13 | N1 | H2 | 124.7° | 124.8° |
| C13 | C12 | C11 | 118.3° | 117.4° |
| C13 | C12 | H5 | 120.9° | 121.3° |
| C12 | C11 | H4 | 120.2° | 117.9° |
| C11 | C12 | H5 | 120.9° | 121.3° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 110.0° |
| H13 | C22 | H14 | 109.5° | 110.8° |
| H15 | C23 | H16 | 109.5° | 110.9° |
| H18 | C26 | H19 | 109.4° | 109.5° |
| H18 | C26 | H20 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C3 | H25 | 109.5° | 109.5° |
| H32 | C5 | H33 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H15 | 118.8° | 118.1° |
| C22 | C23 | C24 | H16 | 118.8° | 118.0° |
| C23 | C22 | C21 | H13 | 119.4° | 118.1° |
| C23 | C22 | C21 | H14 | 119.4° | 118.2° |
| C22 | C23 | C24 | C25 | 149.2° | 147.6° |
| C22 | C23 | C24 | N5 | 23.2° | 31.9° |
| C23 | C22 | C21 | N5 | 17.2° | 31.5° |
| C23 | C22 | C21 | H11 | 136.9° | 87.7° |
| C23 | C22 | C21 | H12 | 102.5° | 150.7° |
| C23 | C22 | H13 | H14 | 121.7° | 123.7° |
| C22 | C23 | H15 | H16 | 123.4° | 123.9° |
| C22 | C23 | C24 | H17 | 91.6° | 88.9° |
| C24 | C23 | C22 | C21 | 3.3° | 38.0° |
| C23 | C24 | C25 | O2 | 85.8° | 68.2° |
| C23 | C24 | C25 | N5 | 125.1° | 115.8° |
| C23 | C24 | C25 | H17 | 119.2° | 123.5° |
| C23 | C24 | N5 | H17 | 114.0° | 120.3° |
| C23 | C24 | N5 | C21 | 34.7° | 12.8° |
| C23 | C24 | C25 | O5 | 38.7° | 54.3° |
| C23 | C24 | C25 | N4 | 163.7° | 173.3° |
| C23 | C24 | N5 | C20 | 148.3° | 164.0° |
| C24 | C23 | C22 | H13 | 122.8° | 80.2° |
| C24 | C23 | C22 | H14 | 116.1° | 156.2° |
| C24 | C23 | H15 | H16 | 123.3° | 123.8° |
| C26 | C17 | O2 | N3 | 116.3° | 121.3° |
| C26 | C17 | O2 | C18 | 120.9° | 119.4° |
| C26 | C17 | O2 | C25 | 129.2° | 124.5° |
| C26 | C17 | N3 | C18 | 120.9° | 121.3° |
| C26 | C17 | N3 | C16 | 175.2° | 61.2° |
| C26 | C17 | C18 | N4 | 126.3° | 115.9° |
| C26 | C17 | C18 | O3 | 52.0° | 64.1° |
| C17 | C26 | H18 | H19 | 120.0° | 120.0° |
| C17 | C26 | H18 | H20 | 120.0° | 120.0° |
| C17 | C26 | H19 | H20 | 120.0° | 120.0° |
| C26 | C17 | N3 | H26 | 4.7° | 118.8° |
| C22 | C21 | N5 | C24 | 32.0° | 12.1° |
| C22 | C21 | N5 | H11 | 119.7° | 119.2° |
| C22 | C21 | N5 | H12 | 119.7° | 119.3° |
| C22 | C21 | N5 | C20 | 150.9° | 171.3° |
| C22 | C21 | H11 | H12 | 120.9° | 121.7° |
| C21 | C22 | H13 | H14 | 121.7° | 123.7° |
| C21 | C22 | C23 | H15 | 122.1° | 156.1° |
| C21 | C22 | C23 | H16 | 115.5° | 80.0° |
| C17 | O2 | C25 | C24 | 127.0° | 129.0° |
| O2 | C17 | N3 | C18 | 117.1° | 117.4° |
| C17 | O2 | C25 | O5 | 107.6° | 108.5° |
| C17 | O2 | C25 | N4 | 8.1° | 11.4° |
| O2 | C17 | N3 | C16 | 53.2° | 177.4° |
| O2 | C17 | C18 | N4 | 4.4° | 3.6° |
| O2 | C17 | C18 | O3 | 173.8° | 176.4° |
| O2 | C17 | C26 | H18 | 180.0° | 178.1° |
| O2 | C17 | C26 | H19 | 60.0° | 58.0° |
| O2 | C17 | C26 | H20 | 60.0° | 61.9° |
| O2 | C17 | N3 | H26 | 126.7° | 2.6° |
| O2 | C25 | C24 | O5 | 124.5° | 122.4° |
| O2 | C25 | C24 | N4 | 110.5° | 118.6° |
| O2 | C25 | C24 | N5 | 149.1° | 176.1° |
| C25 | O2 | C17 | N3 | 114.4° | 114.2° |
| C25 | O2 | C17 | C18 | 8.3° | 5.1° |
| O2 | C25 | O5 | N4 | 107.9° | 119.0° |
| O2 | C25 | N4 | C18 | 5.1° | 14.0° |
| O2 | C25 | N4 | C19 | 171.9° | 162.9° |
| O2 | C25 | C24 | H17 | 33.4° | 55.4° |
| O2 | C25 | O5 | H34 | 46.2° | 59.3° |
| C25 | C24 | N5 | H17 | 115.1° | 120.2° |
| C25 | C24 | N5 | C21 | 165.5° | 132.3° |
| C24 | C25 | O5 | N4 | 126.0° | 117.1° |
| C25 | C24 | N5 | C20 | 17.4° | 44.4° |
| C24 | C25 | N4 | C18 | 124.3° | 135.2° |
| C24 | C25 | N4 | C19 | 52.7° | 41.7° |
| C25 | C24 | C23 | H15 | 92.0° | 94.3° |
| C25 | C24 | C23 | H16 | 30.4° | 29.5° |
| C24 | C25 | O5 | H34 | 172.3° | 176.8° |
| C24 | N5 | C21 | C20 | 177.1° | 176.6° |
| N5 | C24 | C25 | O5 | 86.4° | 61.5° |
| N5 | C24 | C25 | N4 | 38.6° | 57.5° |
| C24 | N5 | C20 | O4 | 178.9° | 175.3° |
| C24 | N5 | C20 | C19 | 3.7° | 4.7° |
| C24 | N5 | C21 | H11 | 151.7° | 107.1° |
| C24 | N5 | C21 | H12 | 87.7° | 131.3° |
| N5 | C24 | C23 | H15 | 142.0° | 150.1° |
| N5 | C24 | C23 | H16 | 95.7° | 86.1° |
| C21 | N5 | C20 | O4 | 2.5° | 8.6° |
| C21 | N5 | C20 | C19 | 179.8° | 171.5° |
| N5 | C21 | H11 | H12 | 120.9° | 121.6° |
| N5 | C21 | C22 | H13 | 102.2° | 86.6° |
| N5 | C21 | C22 | H14 | 136.7° | 149.7° |
| C21 | N5 | C24 | H17 | 79.4° | 107.5° |
| C17 | N3 | C16 | H26 | 180.0° | 180.0° |
| N3 | C17 | C18 | N4 | 117.7° | 122.9° |
| N3 | C17 | C18 | O3 | 64.1° | 57.1° |
| C17 | N3 | C16 | C6 | 177.0° | 180.0° |
| C17 | N3 | C16 | O1 | 2.2° | 0.0° |
| N3 | C17 | C26 | H18 | 58.3° | 60.7° |
| N3 | C17 | C26 | H19 | 178.3° | 179.3° |
| N3 | C17 | C26 | H20 | 61.7° | 59.3° |
| C17 | C18 | N4 | C25 | 0.5° | 10.5° |
| C18 | C17 | N3 | C16 | 63.9° | 60.0° |
| C17 | C18 | N4 | O3 | 178.1° | 180.0° |
| C17 | C18 | N4 | C19 | 176.5° | 166.3° |
| C18 | C17 | C26 | H18 | 63.7° | 60.6° |
| C18 | C17 | C26 | H19 | 56.3° | 59.5° |
| C18 | C17 | C26 | H20 | 176.3° | 179.4° |
| C18 | C17 | N3 | H26 | 116.1° | 120.0° |
| O5 | C25 | N4 | C18 | 110.2° | 105.8° |
| O5 | C25 | N4 | C19 | 72.8° | 77.3° |
| O5 | C25 | C24 | H17 | 157.9° | 177.8° |
| C25 | N4 | C18 | C19 | 176.9° | 176.9° |
| C25 | N4 | C18 | O3 | 178.6° | 169.5° |
| C25 | N4 | C19 | C20 | 36.7° | 3.2° |
| C25 | N4 | C19 | C27 | 85.5° | 117.1° |
| C25 | N4 | C19 | H9 | 154.2° | 123.3° |
| N4 | C25 | C24 | H17 | 77.2° | 63.2° |
| N4 | C25 | O5 | H34 | 61.7° | 59.7° |
| N3 | C16 | C6 | C5 | 117.0° | 180.0° |
| N3 | C16 | C6 | O1 | 179.3° | 180.0° |
| N3 | C16 | C6 | C7 | 113.3° | 61.1° |
| N3 | C16 | C6 | H35 | 2.6° | 59.5° |
| N5 | C20 | C19 | N4 | 11.3° | 17.6° |
| N5 | C20 | O4 | C19 | 177.4° | 180.0° |
| N5 | C20 | C19 | C27 | 113.7° | 137.9° |
| N5 | C20 | C19 | H9 | 129.5° | 102.5° |
| C20 | N5 | C21 | H11 | 31.2° | 69.5° |
| C20 | N5 | C21 | H12 | 89.4° | 52.1° |
| C20 | N5 | C24 | H17 | 97.7° | 75.8° |
| N2 | C5 | C6 | H32 | 120.6° | 119.8° |
| N2 | C5 | C6 | H33 | 120.6° | 119.7° |
| C5 | N2 | C15 | C4 | 127.6° | 126.5° |
| N2 | C5 | C6 | C16 | 165.6° | 175.9° |
| N2 | C5 | C6 | C7 | 37.0° | 56.2° |
| C5 | N2 | C4 | C3 | 155.5° | 165.3° |
| C5 | N2 | C4 | C8 | 26.8° | 37.7° |
| C5 | N2 | C15 | H6 | 180.0° | 173.4° |
| C5 | N2 | C15 | H7 | 60.0° | 53.4° |
| C5 | N2 | C15 | H8 | 60.0° | 66.5° |
| C5 | N2 | C4 | H31 | 90.0° | 79.2° |
| N2 | C5 | H32 | H33 | 118.2° | 120.5° |
| N2 | C5 | C6 | H35 | 80.2° | 63.6° |
| C6 | C5 | N2 | C15 | 171.3° | 169.7° |
| C5 | C6 | C16 | C7 | 129.6° | 118.9° |
| C5 | C6 | C16 | H35 | 114.4° | 120.5° |
| C5 | C6 | C16 | O1 | 62.2° | 0.0° |
| C6 | C5 | N2 | C4 | 46.1° | 64.8° |
| C5 | C6 | C7 | H35 | 117.1° | 119.8° |
| C5 | C6 | C7 | C8 | 10.1° | 25.6° |
| C6 | C5 | H32 | H33 | 118.2° | 120.5° |
| C5 | C6 | C7 | H36 | 169.9° | 154.4° |
| C15 | N2 | C4 | C3 | 84.4° | 69.3° |
| C15 | N2 | C4 | C8 | 146.9° | 163.2° |
| N2 | C15 | H6 | H7 | 120.0° | 120.0° |
| N2 | C15 | H6 | H8 | 120.0° | 120.1° |
| N2 | C15 | H7 | H8 | 120.0° | 120.0° |
| C15 | N2 | C4 | H31 | 30.1° | 46.3° |
| C15 | N2 | C5 | H32 | 50.8° | 70.5° |
| C15 | N2 | C5 | H33 | 68.1° | 50.0° |
| C18 | N4 | C19 | C20 | 140.2° | 173.2° |
| C18 | N4 | C19 | C27 | 97.7° | 66.6° |
| C18 | N4 | C19 | H9 | 22.6° | 53.1° |
| O3 | C18 | N4 | C19 | 1.7° | 13.7° |
| C16 | C6 | C7 | H35 | 115.6° | 120.5° |
| C16 | C6 | C7 | C8 | 137.4° | 145.3° |
| C6 | C16 | N3 | H26 | 3.0° | 0.0° |
| C16 | C6 | C5 | H32 | 45.1° | 56.1° |
| C16 | C6 | C5 | H33 | 73.8° | 64.4° |
| C16 | C6 | C7 | H36 | 42.6° | 34.7° |
| O1 | C16 | C6 | C7 | 67.4° | 118.9° |
| O1 | C16 | N3 | H26 | 177.8° | 180.0° |
| O1 | C16 | C6 | H35 | 176.7° | 120.5° |
| N4 | C19 | C20 | O4 | 171.3° | 162.4° |
| N4 | C19 | C20 | C27 | 125.0° | 120.2° |
| N4 | C19 | C20 | H9 | 118.2° | 120.2° |
| N4 | C19 | C27 | H9 | 120.8° | 119.7° |
| N4 | C19 | C27 | C28 | 71.5° | 57.1° |
| N4 | C19 | C27 | H21 | 49.5° | 177.2° |
| N4 | C19 | C27 | H22 | 167.4° | 62.8° |
| N2 | C4 | C8 | C7 | 1.5° | 4.7° |
| N2 | C4 | C3 | C8 | 128.6° | 127.2° |
| N2 | C4 | C3 | H31 | 114.8° | 115.6° |
| N2 | C4 | C8 | H31 | 116.9° | 117.1° |
| N2 | C4 | C3 | C2 | 170.5° | 175.0° |
| N2 | C4 | C8 | C9 | 170.8° | 174.9° |
| C4 | N2 | C15 | H6 | 52.5° | 60.0° |
| C4 | N2 | C15 | H7 | 172.4° | 180.0° |
| C4 | N2 | C15 | H8 | 67.6° | 60.0° |
| N2 | C4 | C3 | H24 | 50.2° | 65.1° |
| N2 | C4 | C3 | H25 | 69.2° | 55.0° |
| C4 | N2 | C5 | H32 | 74.5° | 54.9° |
| C4 | N2 | C5 | H33 | 166.6° | 175.4° |
| C6 | C7 | C8 | H36 | 180.0° | 180.0° |
| C6 | C7 | C8 | C4 | 9.8° | 0.2° |
| C6 | C7 | C8 | C9 | 178.7° | 179.8° |
| C7 | C6 | C5 | H32 | 83.6° | 63.6° |
| C7 | C6 | C5 | H33 | 157.5° | 175.9° |
| O4 | C20 | C19 | C27 | 63.7° | 42.2° |
| O4 | C20 | C19 | H9 | 53.1° | 77.4° |
| C20 | C19 | C27 | H9 | 116.6° | 119.5° |
| C20 | C19 | C27 | C28 | 165.8° | 63.7° |
| C20 | C19 | C27 | H21 | 73.2° | 56.3° |
| C20 | C19 | C27 | H22 | 44.8° | 176.4° |
| C19 | C27 | C28 | H21 | 121.0° | 120.0° |
| C19 | C27 | C28 | H22 | 121.1° | 120.0° |
| C19 | C27 | C28 | C29 | 126.5° | 84.7° |
| C19 | C27 | C28 | C33 | 56.8° | 95.6° |
| C19 | C27 | H21 | H22 | 116.8° | 120.0° |
| C7 | C8 | C4 | C3 | 125.3° | 130.1° |
| C7 | C8 | C4 | C9 | 169.3° | 179.6° |
| C7 | C8 | C9 | C14 | 145.4° | 156.4° |
| C7 | C8 | C9 | C10 | 32.0° | 24.5° |
| C7 | C8 | C4 | H31 | 118.3° | 112.4° |
| C8 | C7 | C6 | H35 | 107.0° | 94.2° |
| C3 | C4 | C8 | H31 | 116.3° | 117.5° |
| C4 | C3 | C2 | H24 | 120.3° | 120.0° |
| C4 | C3 | C2 | H25 | 120.3° | 120.0° |
| C3 | C4 | C8 | C9 | 44.0° | 49.5° |
| C4 | C3 | C2 | C1 | 161.5° | 155.6° |
| C4 | C3 | C2 | C14 | 22.5° | 25.6° |
| C4 | C3 | H24 | H25 | 119.0° | 120.1° |
| C8 | C4 | C3 | C2 | 41.8° | 47.8° |
| C4 | C8 | C9 | C14 | 24.2° | 23.2° |
| C4 | C8 | C9 | C10 | 158.4° | 155.9° |
| C8 | C4 | C3 | H24 | 78.5° | 167.7° |
| C8 | C4 | C3 | H25 | 162.2° | 72.2° |
| C4 | C8 | C7 | H36 | 170.2° | 179.9° |
| C3 | C2 | C1 | C14 | 176.5° | 178.9° |
| C3 | C2 | C14 | C9 | 3.3° | 1.4° |
| C3 | C2 | C1 | N1 | 177.3° | 179.0° |
| C3 | C2 | C14 | C13 | 178.0° | 179.1° |
| C3 | C2 | C1 | H1 | 2.7° | 1.3° |
| C2 | C3 | H24 | H25 | 119.0° | 120.0° |
| C2 | C3 | C4 | H31 | 74.7° | 69.4° |
| C8 | C9 | C14 | C2 | 3.4° | 1.1° |
| C8 | C9 | C14 | C10 | 177.7° | 179.2° |
| C8 | C9 | C14 | C13 | 178.0° | 178.5° |
| C8 | C9 | C10 | C11 | 178.0° | 179.5° |
| C8 | C9 | C10 | H3 | 2.0° | 2.3° |
| C9 | C8 | C4 | H31 | 72.3° | 68.0° |
| C9 | C8 | C7 | H36 | 1.3° | 0.3° |
| C27 | C28 | C29 | C33 | 176.8° | 179.8° |
| C27 | C28 | C29 | C30 | 179.7° | 180.0° |
| C27 | C28 | C33 | C32 | 177.3° | 179.8° |
| C28 | C27 | C19 | H9 | 49.2° | 176.8° |
| C28 | C27 | H21 | H22 | 116.8° | 119.9° |
| C27 | C28 | C29 | H23 | 0.3° | 0.0° |
| C27 | C28 | C33 | H30 | 2.7° | 0.0° |
| C1 | C2 | C14 | C9 | 179.7° | 179.5° |
| C2 | C1 | N1 | H1 | 180.0° | 179.8° |
| C1 | C2 | C14 | C13 | 0.9° | 0.1° |
| C2 | C1 | N1 | C13 | 0.4° | 0.1° |
| C2 | C1 | N1 | H2 | 179.6° | 179.8° |
| C1 | C2 | C3 | H24 | 78.2° | 35.6° |
| C1 | C2 | C3 | H25 | 41.2° | 84.4° |
| C2 | C14 | C9 | C13 | 178.6° | 179.5° |
| C2 | C14 | C9 | C10 | 178.9° | 179.7° |
| C14 | C2 | C1 | N1 | 0.8° | 0.0° |
| C2 | C14 | C13 | N1 | 0.7° | 0.1° |
| C2 | C14 | C13 | C12 | 178.9° | 179.8° |
| C14 | C2 | C1 | H1 | 179.2° | 179.8° |
| C14 | C2 | C3 | H24 | 97.8° | 145.6° |
| C14 | C2 | C3 | H25 | 142.8° | 94.4° |
| C28 | C29 | C30 | H23 | 180.0° | 180.0° |
| C29 | C28 | C33 | C32 | 0.6° | 0.5° |
| C28 | C29 | C30 | C31 | 2.7° | 0.0° |
| C29 | C28 | C27 | H21 | 5.4° | 35.4° |
| C29 | C28 | C27 | H22 | 112.5° | 155.3° |
| C28 | C29 | C30 | H27 | 177.3° | 180.0° |
| C29 | C28 | C33 | H30 | 179.4° | 179.7° |
| C33 | C28 | C29 | C30 | 2.9° | 0.2° |
| C28 | C33 | C32 | H30 | 180.0° | 179.8° |
| C28 | C33 | C32 | C31 | 1.7° | 0.5° |
| C33 | C28 | C27 | H21 | 177.8° | 144.4° |
| C33 | C28 | C27 | H22 | 64.3° | 24.4° |
| C33 | C28 | C29 | H23 | 177.1° | 179.7° |
| C28 | C33 | C32 | H29 | 178.3° | 179.7° |
| C14 | C9 | C10 | C11 | 0.6° | 0.5° |
| C9 | C14 | C13 | N1 | 179.5° | 179.4° |
| C9 | C14 | C13 | C12 | 0.1° | 0.6° |
| C14 | C9 | C10 | H3 | 179.4° | 178.6° |
| C10 | C9 | C14 | C13 | 0.3° | 0.7° |
| C9 | C10 | C11 | H3 | 180.0° | 178.2° |
| C9 | C10 | C11 | C12 | 0.7° | 1.9° |
| C9 | C10 | C11 | H4 | 179.3° | 178.1° |
| C29 | C30 | C31 | H27 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | H28 | 179.7° | 180.0° |
| C33 | C32 | C31 | C30 | 1.9° | 0.2° |
| C33 | C32 | C31 | H29 | 180.0° | 179.8° |
| C33 | C32 | C31 | H28 | 178.1° | 179.8° |
| C1 | N1 | C13 | C14 | 0.1° | 0.2° |
| C1 | N1 | C13 | H2 | 180.0° | 180.0° |
| C1 | N1 | C13 | C12 | 179.3° | 179.8° |
| C14 | C13 | N1 | C12 | 179.4° | 179.9° |
| C14 | C13 | C12 | C11 | 0.1° | 0.7° |
| C14 | C13 | N1 | H2 | 179.9° | 179.8° |
| C14 | C13 | C12 | H5 | 179.9° | 178.8° |
| C30 | C31 | C32 | H28 | 180.0° | 180.0° |
| C31 | C30 | C29 | H23 | 177.3° | 180.0° |
| C30 | C31 | C32 | H29 | 178.1° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 2.0° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | H5 | 179.5° | 179.9° |
| C32 | C31 | C30 | H27 | 179.7° | 180.0° |
| C31 | C32 | C33 | H30 | 178.3° | 179.7° |
| N1 | C13 | C12 | C11 | 179.2° | 179.2° |
| C13 | N1 | C1 | H1 | 179.5° | 179.9° |
| N1 | C13 | C12 | H5 | 0.8° | 1.1° |
| C13 | C12 | C11 | H5 | 180.0° | 178.1° |
| C12 | C13 | N1 | H2 | 0.7° | 0.3° |
| C13 | C12 | C11 | H4 | 179.6° | 178.0° |
| C12 | C11 | C10 | H3 | 179.3° | 180.0° |
| H1 | C1 | N1 | H2 | 0.5° | 0.0° |
| H3 | C10 | C11 | H4 | 0.7° | 0.1° |
| H4 | C11 | C12 | H5 | 0.4° | 0.1° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | C27 | H21 | 170.3° | 63.2° |
| H9 | C19 | C27 | H22 | 71.8° | 56.9° |
| H11 | C21 | C22 | H13 | 17.5° | 154.2° |
| H11 | C21 | C22 | H14 | 103.7° | 30.5° |
| H12 | C21 | C22 | H13 | 138.1° | 32.6° |
| H12 | C21 | C22 | H14 | 17.0° | 91.1° |
| H13 | C22 | C23 | H15 | 118.4° | 37.9° |
| H13 | C22 | C23 | H16 | 3.9° | 161.8° |
| H14 | C22 | C23 | H15 | 2.7° | 85.7° |
| H14 | C22 | C23 | H16 | 125.1° | 38.2° |
| H15 | C23 | C24 | H17 | 27.3° | 29.3° |
| H16 | C23 | C24 | H17 | 149.6° | 153.1° |
| H18 | C26 | H19 | H20 | 120.0° | 120.0° |
| H23 | C29 | C30 | H27 | 2.7° | 0.1° |
| H24 | C3 | C4 | H31 | 165.0° | 50.5° |
| H25 | C3 | C4 | H31 | 45.6° | 170.6° |
| H27 | C30 | C31 | H28 | 0.3° | 0.0° |
| H28 | C31 | C32 | H29 | 1.9° | 0.0° |
| H29 | C32 | C33 | H30 | 1.7° | 0.1° |
| H32 | C5 | C6 | H35 | 159.2° | 176.6° |
| H33 | C5 | C6 | H35 | 40.3° | 56.1° |
| H35 | C6 | C7 | H36 | 73.0° | 85.9° |
