8EM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.41Å | 1.43Å | Aromatic |
| C35 | C36 | doub | 1.34Å | 1.32Å | Aromatic |
| C34 | C33 | doub | 1.35Å | 1.34Å | Aromatic |
| C36 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.49Å | |
| C33 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| C32 | N6 | sing | 1.47Å | 1.46Å | |
| O | C6 | doub | 1.22Å | 1.22Å | |
| N6 | C23 | sing | 1.40Å | 1.43Å | |
| N6 | C25 | sing | 1.35Å | 1.37Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C | sing | 1.47Å | 1.47Å | |
| C6 | N1 | sing | 1.35Å | 1.40Å | |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C1 | doub | 1.41Å | 1.40Å | Aromatic |
| O1 | C25 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| N1 | C7 | sing | 1.46Å | 1.48Å | |
| N1 | C2 | sing | 1.36Å | 1.40Å | |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C1 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.36Å | 1.39Å | |
| C25 | C26 | sing | 1.48Å | 1.50Å | |
| C2 | N | doub | 1.30Å | 1.29Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| N2 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.31Å | Aromatic |
| C11 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.51Å | |
| C14 | N5 | sing | 1.34Å | 1.34Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C16 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C36 | 106.8° | 106.9° |
| C35 | C34 | C33 | 106.8° | 106.8° |
| C34 | C35 | H24 | 126.6° | 126.5° |
| C35 | C34 | H25 | 126.6° | 126.6° |
| C35 | C36 | O2 | 110.5° | 108.4° |
| C35 | C36 | H23 | 124.8° | 125.8° |
| C36 | C35 | H24 | 126.6° | 126.6° |
| C34 | C33 | C32 | 133.5° | 125.8° |
| C34 | C33 | O2 | 109.7° | 108.4° |
| C33 | C34 | H25 | 126.6° | 126.6° |
| C36 | O2 | C33 | 106.3° | 109.5° |
| O2 | C36 | H23 | 124.7° | 125.8° |
| C32 | C33 | O2 | 116.8° | 125.8° |
| C33 | C32 | N6 | 110.7° | 109.4° |
| C33 | C32 | H21 | 109.2° | 109.5° |
| C33 | C32 | H22 | 109.1° | 109.5° |
| C32 | N6 | C23 | 117.6° | 120.0° |
| C32 | N6 | C25 | 117.8° | 120.0° |
| N6 | C32 | H21 | 109.1° | 109.5° |
| N6 | C32 | H22 | 109.1° | 109.5° |
| O | C6 | C | 124.1° | 121.3° |
| O | C6 | N1 | 120.6° | 121.3° |
| C23 | N6 | C25 | 124.1° | 120.0° |
| N6 | C23 | C24 | 120.4° | 119.8° |
| N6 | C23 | C22 | 120.3° | 119.9° |
| N6 | C25 | O1 | 120.9° | 120.0° |
| N6 | C25 | C26 | 121.4° | 120.0° |
| C23 | C24 | C | 119.9° | 119.3° |
| C24 | C23 | C22 | 119.3° | 120.4° |
| C23 | C24 | H15 | 120.0° | 120.3° |
| C24 | C | C6 | 119.9° | 121.9° |
| C24 | C | C1 | 120.6° | 120.0° |
| C | C24 | H15 | 120.1° | 120.4° |
| C | C6 | N1 | 115.4° | 117.4° |
| C6 | C | C1 | 119.4° | 118.1° |
| C6 | N1 | C7 | 117.4° | 119.7° |
| C6 | N1 | C2 | 120.0° | 120.6° |
| C23 | C22 | C21 | 120.7° | 120.9° |
| C23 | C22 | H14 | 119.7° | 119.5° |
| C | C1 | C21 | 119.2° | 119.4° |
| C | C1 | N | 121.9° | 118.9° |
| O1 | C25 | C26 | 117.5° | 120.0° |
| C5 | C4 | C3 | 112.2° | 109.5° |
| C5 | C4 | H2 | 108.7° | 109.5° |
| C5 | C4 | H3 | 108.8° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H6 | 109.4° | 109.5° |
| C4 | C3 | C2 | 113.4° | 109.5° |
| C3 | C4 | H2 | 108.8° | 109.5° |
| C3 | C4 | H3 | 108.8° | 109.5° |
| C4 | C3 | H26 | 108.5° | 109.5° |
| C4 | C3 | H27 | 108.5° | 109.5° |
| C7 | N1 | C2 | 122.5° | 119.7° |
| N1 | C7 | C8 | 114.5° | 109.5° |
| N1 | C7 | H7 | 108.2° | 109.5° |
| N1 | C7 | H8 | 108.2° | 109.5° |
| N1 | C2 | N | 125.6° | 123.3° |
| N1 | C2 | C3 | 118.6° | 118.3° |
| C22 | C21 | C1 | 120.3° | 119.9° |
| C22 | C21 | H13 | 119.9° | 120.1° |
| C21 | C22 | H14 | 119.6° | 119.5° |
| C7 | C8 | C9 | 120.1° | 119.9° |
| C7 | C8 | C20 | 122.0° | 119.9° |
| C8 | C7 | H7 | 108.2° | 109.4° |
| C8 | C7 | H8 | 108.2° | 109.4° |
| C21 | C1 | N | 118.8° | 121.6° |
| C1 | C21 | H13 | 119.8° | 120.0° |
| C1 | N | C2 | 117.7° | 121.7° |
| C25 | C26 | C31 | 125.0° | 120.1° |
| C25 | C26 | C27 | 116.2° | 120.1° |
| N | C2 | C3 | 115.8° | 118.3° |
| C2 | C3 | H26 | 108.5° | 109.5° |
| C2 | C3 | H27 | 108.5° | 109.5° |
| C8 | C9 | C10 | 121.1° | 120.2° |
| C9 | C8 | C20 | 117.9° | 120.2° |
| C8 | C9 | H29 | 119.5° | 119.9° |
| C9 | C10 | C11 | 121.4° | 119.8° |
| C9 | C10 | H9 | 119.3° | 120.1° |
| C10 | C9 | H29 | 119.5° | 119.9° |
| C8 | C20 | C19 | 121.1° | 120.1° |
| C8 | C20 | H12 | 119.5° | 119.9° |
| C31 | C26 | C27 | 118.6° | 119.8° |
| C26 | C31 | C30 | 120.5° | 119.8° |
| C26 | C31 | H17 | 119.8° | 120.1° |
| C26 | C27 | C28 | 120.5° | 119.8° |
| C26 | C27 | H20 | 119.7° | 120.1° |
| C10 | C11 | C19 | 117.6° | 119.8° |
| C10 | C11 | C12 | 120.8° | 120.1° |
| C11 | C10 | H9 | 119.4° | 120.1° |
| C31 | C30 | C29 | 120.3° | 120.1° |
| C30 | C31 | H17 | 119.8° | 120.0° |
| C31 | C30 | H18 | 119.8° | 119.9° |
| C20 | C19 | C11 | 121.0° | 119.9° |
| C19 | C20 | H12 | 119.4° | 120.0° |
| C20 | C19 | H28 | 119.5° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.2° |
| C27 | C28 | H16 | 119.8° | 119.9° |
| C28 | C27 | H20 | 119.8° | 120.1° |
| N3 | N2 | C14 | 104.8° | 107.8° |
| N2 | N3 | N4 | 109.5° | 109.3° |
| N2 | N3 | H1 | 125.3° | 125.3° |
| N2 | C14 | C13 | 124.3° | 126.7° |
| N2 | C14 | N5 | 111.4° | 106.7° |
| N3 | N4 | N5 | 109.4° | 109.0° |
| N4 | N3 | H1 | 125.3° | 125.3° |
| C19 | C11 | C12 | 121.6° | 120.1° |
| C11 | C19 | H28 | 119.5° | 120.1° |
| C11 | C12 | C13 | 123.9° | 120.1° |
| C11 | C12 | C18 | 117.8° | 120.2° |
| C30 | C29 | C28 | 119.8° | 120.3° |
| C29 | C30 | H18 | 119.9° | 120.0° |
| C30 | C29 | H19 | 120.1° | 119.9° |
| C29 | C28 | H16 | 119.8° | 120.0° |
| C28 | C29 | H19 | 120.1° | 119.8° |
| C13 | C14 | N5 | 124.3° | 126.6° |
| C14 | C13 | C12 | 123.7° | 120.2° |
| C14 | C13 | C15 | 116.2° | 120.1° |
| C14 | N5 | N4 | 104.9° | 107.2° |
| C13 | C12 | C18 | 118.1° | 119.7° |
| C12 | C13 | C15 | 120.0° | 119.6° |
| C12 | C18 | C17 | 121.2° | 120.0° |
| C12 | C18 | H30 | 119.4° | 120.0° |
| C13 | C15 | C16 | 120.2° | 119.9° |
| C13 | C15 | H10 | 119.9° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.3° |
| C18 | C17 | H11 | 119.9° | 119.8° |
| C17 | C18 | H30 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.4° |
| C16 | C15 | H10 | 119.9° | 120.0° |
| C15 | C16 | H31 | 119.9° | 119.7° |
| C16 | C17 | H11 | 119.9° | 119.9° |
| C17 | C16 | H31 | 119.9° | 119.8° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H4 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H26 | C3 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C36 | H24 | 180.0° | 179.7° |
| C35 | C34 | C33 | H25 | 180.0° | 179.7° |
| C34 | C35 | C36 | O2 | 0.3° | 0.2° |
| C35 | C34 | C33 | C32 | 178.6° | 179.9° |
| C35 | C34 | C33 | O2 | 0.2° | 0.3° |
| C34 | C35 | C36 | H23 | 179.7° | 179.8° |
| C36 | C35 | C34 | C33 | 0.3° | 0.3° |
| C35 | C36 | O2 | H23 | 180.0° | 180.0° |
| C35 | C36 | O2 | C33 | 0.1° | 0.0° |
| C36 | C35 | C34 | H25 | 179.7° | 180.0° |
| C34 | C33 | O2 | C36 | 0.0° | 0.2° |
| C34 | C33 | C32 | O2 | 178.7° | 179.7° |
| C34 | C33 | C32 | N6 | 115.6° | 93.7° |
| C34 | C33 | C32 | H21 | 4.5° | 26.3° |
| C34 | C33 | C32 | H22 | 124.2° | 146.3° |
| C33 | C34 | C35 | H24 | 179.7° | 179.9° |
| C36 | O2 | C33 | C32 | 179.0° | 180.0° |
| O2 | C36 | C35 | H24 | 179.7° | 179.9° |
| C33 | C32 | N6 | H21 | 120.2° | 120.0° |
| C33 | C32 | N6 | H22 | 120.2° | 120.0° |
| C33 | C32 | N6 | C23 | 71.8° | 60.2° |
| C33 | C32 | N6 | C25 | 100.3° | 119.8° |
| C33 | C32 | H21 | H22 | 119.4° | 120.0° |
| C32 | C33 | C34 | H25 | 1.5° | 0.2° |
| O2 | C33 | C32 | N6 | 63.1° | 86.0° |
| O2 | C33 | C32 | H21 | 176.8° | 154.0° |
| O2 | C33 | C32 | H22 | 57.1° | 33.9° |
| C33 | O2 | C36 | H23 | 179.8° | 180.0° |
| O2 | C33 | C34 | H25 | 179.8° | 180.0° |
| C32 | N6 | C23 | C25 | 171.6° | 180.0° |
| C32 | N6 | C23 | C24 | 77.2° | 172.0° |
| C32 | N6 | C23 | C22 | 102.4° | 8.0° |
| C32 | N6 | C25 | O1 | 11.5° | 173.3° |
| C32 | N6 | C25 | C26 | 164.7° | 6.8° |
| N6 | C32 | H21 | H22 | 119.4° | 120.0° |
| O | C6 | C | C24 | 8.3° | 0.2° |
| O | C6 | C | N1 | 177.9° | 179.9° |
| O | C6 | C | C1 | 175.6° | 180.0° |
| O | C6 | N1 | C7 | 8.3° | 0.0° |
| O | C6 | N1 | C2 | 175.0° | 179.7° |
| N6 | C23 | C24 | C22 | 179.6° | 180.0° |
| N6 | C23 | C24 | C | 179.1° | 180.0° |
| C23 | N6 | C25 | O1 | 160.0° | 6.8° |
| N6 | C23 | C22 | C21 | 178.9° | 180.0° |
| C23 | N6 | C25 | C26 | 23.7° | 173.2° |
| N6 | C23 | C22 | H14 | 1.1° | 0.1° |
| N6 | C23 | C24 | H15 | 0.9° | 0.0° |
| C23 | N6 | C32 | H21 | 48.4° | 179.8° |
| C23 | N6 | C32 | H22 | 168.0° | 59.8° |
| C25 | N6 | C23 | C24 | 111.2° | 8.0° |
| C25 | N6 | C23 | C22 | 69.2° | 171.9° |
| N6 | C25 | O1 | C26 | 176.4° | 180.0° |
| N6 | C25 | C26 | C31 | 13.9° | 139.2° |
| N6 | C25 | C26 | C27 | 160.6° | 40.5° |
| C25 | N6 | C32 | H21 | 139.5° | 0.2° |
| C25 | N6 | C32 | H22 | 19.9° | 120.2° |
| C23 | C24 | C | H15 | 180.0° | 179.9° |
| C23 | C24 | C | C6 | 176.3° | 180.0° |
| C23 | C24 | C | C1 | 0.2° | 0.1° |
| C24 | C23 | C22 | C21 | 1.5° | 0.1° |
| C24 | C23 | C22 | H14 | 178.5° | 179.9° |
| C24 | C | C6 | C1 | 176.2° | 179.9° |
| C24 | C | C6 | N1 | 173.8° | 179.9° |
| C | C24 | C23 | C22 | 1.3° | 0.1° |
| C24 | C | C1 | C21 | 1.5° | 0.2° |
| C24 | C | C1 | N | 175.8° | 179.8° |
| C | C6 | N1 | C7 | 173.7° | 179.9° |
| C | C6 | N1 | C2 | 3.0° | 0.2° |
| C6 | C | C1 | C21 | 177.6° | 180.0° |
| C6 | C | C1 | N | 0.4° | 0.4° |
| C6 | C | C24 | H15 | 3.7° | 0.1° |
| N1 | C6 | C | C1 | 2.4° | 0.1° |
| C6 | N1 | C7 | C2 | 176.6° | 179.7° |
| C6 | N1 | C7 | C8 | 70.9° | 87.8° |
| C6 | N1 | C2 | N | 1.7° | 0.2° |
| C6 | N1 | C2 | C3 | 179.4° | 179.7° |
| C6 | N1 | C7 | H7 | 168.4° | 32.2° |
| C6 | N1 | C7 | H8 | 49.8° | 152.2° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | C1 | 0.2° | 0.1° |
| C23 | C22 | C21 | H13 | 179.8° | 180.0° |
| C22 | C23 | C24 | H15 | 178.7° | 180.0° |
| C | C1 | C21 | C22 | 1.3° | 0.1° |
| C | C1 | C21 | N | 177.4° | 179.6° |
| C | C1 | N | C2 | 1.1° | 0.4° |
| C | C1 | C21 | H13 | 178.7° | 179.9° |
| C1 | C | C24 | H15 | 179.8° | 180.0° |
| O1 | C25 | C26 | C31 | 162.5° | 40.8° |
| O1 | C25 | C26 | C27 | 23.0° | 139.5° |
| C5 | C4 | C3 | H2 | 120.4° | 120.0° |
| C5 | C4 | C3 | H3 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 158.3° | 180.0° |
| C5 | C4 | H2 | H3 | 118.7° | 120.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H6 | 120.0° | 120.0° |
| C4 | C5 | H5 | H6 | 120.0° | 120.0° |
| C5 | C4 | C3 | H26 | 37.7° | 60.0° |
| C5 | C4 | C3 | H27 | 81.1° | 60.0° |
| C4 | C3 | C2 | N1 | 96.4° | 177.7° |
| C4 | C3 | C2 | N | 84.5° | 2.3° |
| C4 | C3 | C2 | H26 | 120.6° | 120.0° |
| C4 | C3 | C2 | H27 | 120.6° | 120.0° |
| C3 | C4 | H2 | H3 | 118.7° | 120.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 60.0° | 60.0° |
| C3 | C4 | C5 | H6 | 60.0° | 60.0° |
| C4 | C3 | H26 | H27 | 118.2° | 120.0° |
| N1 | C7 | C8 | H7 | 120.7° | 120.0° |
| N1 | C7 | C8 | H8 | 120.7° | 120.0° |
| C7 | N1 | C2 | N | 174.9° | 179.9° |
| C7 | N1 | C2 | C3 | 4.1° | 0.0° |
| N1 | C7 | C8 | C9 | 156.2° | 96.6° |
| N1 | C7 | C8 | C20 | 22.8° | 83.6° |
| N1 | C7 | H7 | H8 | 117.8° | 120.1° |
| C2 | N1 | C7 | C8 | 105.7° | 92.5° |
| N1 | C2 | N | C1 | 0.5° | 0.1° |
| N1 | C2 | N | C3 | 179.0° | 180.0° |
| C2 | N1 | C7 | H7 | 15.0° | 147.5° |
| C2 | N1 | C7 | H8 | 133.6° | 27.5° |
| N1 | C2 | C3 | H26 | 143.0° | 57.7° |
| N1 | C2 | C3 | H27 | 24.2° | 62.3° |
| C22 | C21 | C1 | H13 | 180.0° | 179.9° |
| C22 | C21 | C1 | N | 176.1° | 179.8° |
| C7 | C8 | C9 | C20 | 179.1° | 179.8° |
| C7 | C8 | C9 | C10 | 177.9° | 179.7° |
| C7 | C8 | C20 | C19 | 178.2° | 180.0° |
| C8 | C7 | H7 | H8 | 117.7° | 119.9° |
| C7 | C8 | C20 | H12 | 1.8° | 0.1° |
| C7 | C8 | C9 | H29 | 2.1° | 0.1° |
| C21 | C1 | N | C2 | 176.1° | 180.0° |
| C1 | C21 | C22 | H14 | 179.8° | 179.9° |
| C1 | N | C2 | C3 | 178.4° | 180.0° |
| N | C1 | C21 | H13 | 3.9° | 0.3° |
| C25 | C26 | C31 | C27 | 174.4° | 179.7° |
| C25 | C26 | C31 | C30 | 174.7° | 179.8° |
| C25 | C26 | C27 | C28 | 174.6° | 179.8° |
| C25 | C26 | C31 | H17 | 5.3° | 0.3° |
| C25 | C26 | C27 | H20 | 5.5° | 0.3° |
| N | C2 | C3 | H26 | 36.1° | 122.2° |
| N | C2 | C3 | H27 | 154.9° | 117.8° |
| C2 | C3 | C4 | H2 | 81.3° | 60.0° |
| C2 | C3 | C4 | H3 | 37.9° | 60.0° |
| C2 | C3 | H26 | H27 | 118.2° | 120.0° |
| C8 | C9 | C10 | H29 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.4° | 0.5° |
| C9 | C8 | C20 | C19 | 0.8° | 0.2° |
| C9 | C8 | C7 | H7 | 83.0° | 143.4° |
| C9 | C8 | C7 | H8 | 35.5° | 23.4° |
| C8 | C9 | C10 | H9 | 179.6° | 179.8° |
| C9 | C8 | C20 | H12 | 179.2° | 179.8° |
| C10 | C9 | C8 | C20 | 1.2° | 0.5° |
| C9 | C10 | C11 | H9 | 180.0° | 179.7° |
| C9 | C10 | C11 | C19 | 0.7° | 0.2° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| C8 | C20 | C19 | H12 | 180.0° | 180.0° |
| C8 | C20 | C19 | C11 | 0.3° | 0.1° |
| C20 | C8 | C7 | H7 | 98.0° | 36.4° |
| C20 | C8 | C7 | H8 | 143.5° | 156.4° |
| C8 | C20 | C19 | H28 | 179.7° | 180.0° |
| C20 | C8 | C9 | H29 | 178.8° | 179.7° |
| C26 | C31 | C30 | H17 | 180.0° | 179.9° |
| C31 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | C31 | C30 | C29 | 0.7° | 0.1° |
| C26 | C31 | C30 | H18 | 179.3° | 180.0° |
| C31 | C26 | C27 | H20 | 179.6° | 180.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.1° |
| C26 | C27 | C28 | H20 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.5° | 0.1° |
| C26 | C27 | C28 | H16 | 179.4° | 179.9° |
| C27 | C26 | C31 | H17 | 179.7° | 179.9° |
| C10 | C11 | C19 | C20 | 1.0° | 0.1° |
| C10 | C11 | C19 | C12 | 179.4° | 179.8° |
| C10 | C11 | C12 | C13 | 120.3° | 130.1° |
| C10 | C11 | C12 | C18 | 54.2° | 50.0° |
| C10 | C11 | C19 | H28 | 179.0° | 180.0° |
| C11 | C10 | C9 | H29 | 179.6° | 179.7° |
| C31 | C30 | C29 | H18 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.5° | 0.1° |
| C31 | C30 | C29 | H19 | 179.5° | 180.0° |
| C20 | C19 | C11 | H28 | 180.0° | 180.0° |
| C20 | C19 | C11 | C12 | 179.6° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H16 | 180.0° | 180.0° |
| C27 | C28 | C29 | H19 | 179.9° | 180.0° |
| N2 | N3 | N4 | H1 | 180.0° | 179.7° |
| N3 | N2 | C14 | C13 | 179.1° | 179.8° |
| N3 | N2 | C14 | N5 | 0.0° | 0.2° |
| N2 | N3 | N4 | N5 | 0.0° | 0.2° |
| C14 | N2 | N3 | N4 | 0.0° | 0.0° |
| N2 | C14 | C13 | N5 | 179.0° | 179.5° |
| N2 | C14 | N5 | N4 | 0.1° | 0.4° |
| N2 | C14 | C13 | C12 | 57.0° | 179.3° |
| N2 | C14 | C13 | C15 | 125.9° | 0.5° |
| C14 | N2 | N3 | H1 | 180.0° | 179.7° |
| N3 | N4 | N5 | C14 | 0.1° | 0.4° |
| C19 | C11 | C12 | C13 | 60.4° | 49.7° |
| C19 | C11 | C12 | C18 | 125.1° | 130.2° |
| C19 | C11 | C10 | H9 | 179.2° | 179.9° |
| C11 | C19 | C20 | H12 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 11.0° | 0.2° |
| C11 | C12 | C13 | C18 | 174.5° | 180.0° |
| C11 | C12 | C13 | C15 | 172.0° | 180.0° |
| C11 | C12 | C18 | C17 | 173.2° | 180.0° |
| C12 | C11 | C10 | H9 | 0.1° | 0.3° |
| C12 | C11 | C19 | H28 | 0.4° | 0.2° |
| C11 | C12 | C18 | H30 | 6.8° | 0.0° |
| C30 | C29 | C28 | H19 | 180.0° | 179.9° |
| C30 | C29 | C28 | H16 | 179.9° | 179.9° |
| C29 | C30 | C31 | H17 | 179.3° | 179.9° |
| C28 | C29 | C30 | H18 | 179.5° | 180.0° |
| C29 | C28 | C27 | H20 | 179.4° | 180.0° |
| C13 | C14 | N5 | N4 | 179.1° | 180.0° |
| C14 | C13 | C12 | C15 | 177.0° | 179.8° |
| C14 | C13 | C12 | C18 | 174.5° | 179.7° |
| C14 | C13 | C15 | C16 | 175.4° | 179.7° |
| C14 | C13 | C15 | H10 | 4.6° | 0.3° |
| N5 | C14 | C13 | C12 | 124.0° | 0.2° |
| N5 | C14 | C13 | C15 | 53.1° | 180.0° |
| N5 | N4 | N3 | H1 | 179.9° | 179.9° |
| C13 | C12 | C18 | C17 | 1.6° | 0.1° |
| C12 | C13 | C15 | C16 | 1.8° | 0.1° |
| C12 | C13 | C15 | H10 | 178.2° | 179.9° |
| C13 | C12 | C18 | H30 | 178.4° | 180.0° |
| C18 | C12 | C13 | C15 | 2.5° | 0.1° |
| C12 | C18 | C17 | H30 | 180.0° | 179.9° |
| C12 | C18 | C17 | C16 | 0.2° | 0.1° |
| C12 | C18 | C17 | H11 | 179.9° | 180.0° |
| C13 | C15 | C16 | H10 | 180.0° | 180.0° |
| C13 | C15 | C16 | C17 | 0.3° | 0.0° |
| C13 | C15 | C16 | H31 | 179.7° | 180.0° |
| C18 | C17 | C16 | C15 | 0.6° | 0.0° |
| C18 | C17 | C16 | H11 | 180.0° | 179.9° |
| C18 | C17 | C16 | H31 | 179.5° | 180.0° |
| C15 | C16 | C17 | H31 | 180.0° | 180.0° |
| C15 | C16 | C17 | H11 | 179.4° | 180.0° |
| C17 | C16 | C15 | H10 | 179.7° | 179.9° |
| C16 | C17 | C18 | H30 | 179.8° | 180.0° |
| H2 | C4 | C5 | H4 | 59.6° | 60.0° |
| H2 | C4 | C5 | H5 | 60.4° | 60.0° |
| H2 | C4 | C5 | H6 | 179.6° | NaN° |
| H2 | C4 | C3 | H26 | 158.1° | 180.0° |
| H2 | C4 | C3 | H27 | 39.3° | 60.0° |
| H3 | C4 | C5 | H4 | 59.6° | 60.0° |
| H3 | C4 | C5 | H5 | 179.6° | 180.0° |
| H3 | C4 | C5 | H6 | 60.4° | 60.0° |
| H3 | C4 | C3 | H26 | 82.7° | 60.0° |
| H3 | C4 | C3 | H27 | 158.5° | 180.0° |
| H4 | C5 | H5 | H6 | 120.0° | 120.0° |
| H9 | C10 | C9 | H29 | 0.4° | 0.0° |
| H10 | C15 | C16 | H31 | 0.3° | 0.0° |
| H11 | C17 | C18 | H30 | 0.1° | 0.1° |
| H11 | C17 | C16 | H31 | 0.5° | 0.1° |
| H12 | C20 | C19 | H28 | 0.3° | 0.0° |
| H13 | C21 | C22 | H14 | 0.2° | 0.1° |
| H16 | C28 | C29 | H19 | 0.2° | 0.0° |
| H16 | C28 | C27 | H20 | 0.6° | 0.0° |
| H17 | C31 | C30 | H18 | 0.7° | 0.1° |
| H18 | C30 | C29 | H19 | 0.5° | 0.1° |
| H23 | C36 | C35 | H24 | 0.3° | 0.1° |
| H24 | C35 | C34 | H25 | 0.3° | 0.3° |
