E6E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C24 | doub | 1.21Å | 1.21Å | |
| C27 | C26 | sing | 1.50Å | 1.49Å | |
| C27 | C28 | doub | 1.30Å | 1.31Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.50Å | 1.49Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | N2 | sing | 1.35Å | 1.37Å | |
| C15 | N3 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | N2 | sing | 1.47Å | 1.48Å | |
| C13 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C22 | N3 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| N3 | C16 | sing | 1.39Å | 1.36Å | |
| N2 | N1 | sing | 1.40Å | 1.34Å | |
| C29 | C30 | sing | 1.53Å | 1.47Å | |
| C30 | C12 | sing | 1.50Å | 1.50Å | |
| C16 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C21 | C18 | doub | 1.40Å | 1.37Å | Aromatic |
| S1 | C20 | sing | 1.76Å | 1.72Å | Aromatic |
| C17 | N5 | doub | 1.31Å | 1.33Å | Aromatic |
| N1 | C12 | doub | 1.30Å | 1.28Å | |
| C12 | C11 | sing | 1.47Å | 1.49Å | |
| C18 | N5 | sing | 1.35Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.34Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | O2 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| C33 | O4 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C34 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C24 | C25 | 121.8° | 120.5° |
| O3 | C24 | N2 | 121.0° | 120.4° |
| C26 | C27 | C28 | 123.1° | 124.1° |
| C27 | C26 | C25 | 112.6° | 109.6° |
| C27 | C26 | H24 | 108.7° | 109.4° |
| C27 | C26 | H25 | 108.7° | 109.4° |
| C26 | C27 | H26 | 118.4° | 118.0° |
| C27 | C28 | C29 | 121.9° | 124.1° |
| C28 | C27 | H26 | 118.4° | 117.9° |
| C27 | C28 | H27 | 119.0° | 117.9° |
| C26 | C25 | C24 | 112.4° | 110.4° |
| C26 | C25 | C30 | 116.1° | 108.0° |
| C26 | C25 | H23 | 108.8° | 110.4° |
| C25 | C26 | H24 | 108.7° | 109.5° |
| C25 | C26 | H25 | 108.7° | 109.5° |
| C28 | C29 | C30 | 108.7° | 109.6° |
| C29 | C28 | H27 | 119.0° | 118.0° |
| C28 | C29 | H28 | 109.6° | 109.4° |
| C28 | C29 | H29 | 109.6° | 109.4° |
| C25 | C24 | N2 | 117.1° | 119.1° |
| C24 | C25 | C30 | 101.3° | 108.7° |
| C24 | C25 | H23 | 109.2° | 109.7° |
| C24 | N2 | C13 | 121.3° | 119.9° |
| C24 | N2 | N1 | 122.5° | 120.3° |
| N3 | C15 | C14 | 112.0° | 109.5° |
| C15 | N3 | C22 | 113.9° | 111.2° |
| C15 | N3 | C16 | 123.8° | 111.0° |
| N3 | C15 | H14 | 108.8° | 109.5° |
| N3 | C15 | H15 | 108.9° | 109.4° |
| C15 | C14 | C13 | 110.1° | 109.3° |
| C15 | C14 | H12 | 109.3° | 109.5° |
| C15 | C14 | H13 | 109.3° | 109.5° |
| C14 | C15 | H14 | 108.8° | 109.5° |
| C14 | C15 | H15 | 108.8° | 109.5° |
| C14 | C13 | N2 | 112.7° | 109.5° |
| C14 | C13 | C23 | 110.4° | 109.2° |
| C14 | C13 | H11 | 107.3° | 109.5° |
| C13 | C14 | H12 | 109.3° | 109.6° |
| C13 | C14 | H13 | 109.3° | 109.5° |
| N2 | C13 | C23 | 111.2° | 109.5° |
| C13 | N2 | N1 | 116.2° | 119.8° |
| N2 | C13 | H11 | 107.7° | 109.5° |
| C13 | C23 | C22 | 110.6° | 109.3° |
| C23 | C13 | H11 | 107.3° | 109.6° |
| C13 | C23 | H21 | 109.2° | 109.5° |
| C13 | C23 | H22 | 109.2° | 109.5° |
| C25 | C30 | C29 | 116.5° | 108.2° |
| C25 | C30 | C12 | 105.7° | 109.1° |
| C30 | C25 | H23 | 108.7° | 109.5° |
| C25 | C30 | H30 | 99.7° | 109.6° |
| N3 | C22 | C23 | 110.9° | 109.5° |
| C22 | N3 | C16 | 122.0° | 111.0° |
| N3 | C22 | H19 | 109.1° | 109.5° |
| N3 | C22 | H20 | 109.1° | 109.4° |
| C23 | C22 | H19 | 109.1° | 109.5° |
| C23 | C22 | H20 | 109.1° | 109.4° |
| C22 | C23 | H21 | 109.2° | 109.5° |
| C22 | C23 | H22 | 109.2° | 109.4° |
| N3 | C16 | N4 | 118.3° | 120.6° |
| N3 | C16 | C21 | 123.3° | 120.6° |
| N2 | N1 | C12 | 116.9° | 120.8° |
| C29 | C30 | C12 | 129.0° | 110.7° |
| C30 | C29 | H28 | 109.7° | 109.7° |
| C30 | C29 | H29 | 109.7° | 109.3° |
| C29 | C30 | H30 | 100.1° | 109.4° |
| C30 | C12 | N1 | 118.1° | 120.1° |
| C30 | C12 | C11 | 124.1° | 120.0° |
| C12 | C30 | H30 | 99.8° | 109.8° |
| N4 | C16 | C21 | 118.4° | 118.9° |
| C16 | N4 | C17 | 118.2° | 120.7° |
| C16 | C21 | S1 | 128.4° | 131.6° |
| C16 | C21 | C18 | 119.7° | 118.9° |
| N4 | C17 | N5 | 126.7° | 122.6° |
| N4 | C17 | H16 | 116.6° | 118.7° |
| S1 | C21 | C18 | 111.9° | 109.5° |
| C21 | S1 | C20 | 90.8° | 91.4° |
| C21 | C18 | N5 | 121.2° | 117.8° |
| C21 | C18 | C19 | 111.9° | 112.5° |
| S1 | C20 | C19 | 113.2° | 110.8° |
| S1 | C20 | H18 | 123.4° | 124.6° |
| C17 | N5 | C18 | 115.7° | 121.1° |
| N5 | C17 | H16 | 116.6° | 118.7° |
| N1 | C12 | C11 | 117.7° | 119.9° |
| C12 | C11 | C31 | 128.2° | 120.0° |
| C12 | C11 | C10 | 113.0° | 120.1° |
| N5 | C18 | C19 | 126.8° | 129.7° |
| C18 | C19 | C20 | 112.0° | 115.8° |
| C18 | C19 | H17 | 124.0° | 122.1° |
| C20 | C19 | H17 | 124.0° | 122.1° |
| C19 | C20 | H18 | 123.4° | 124.7° |
| C31 | C11 | C10 | 118.8° | 119.9° |
| C11 | C31 | C32 | 120.6° | 119.9° |
| C11 | C31 | H31 | 119.7° | 120.0° |
| C11 | C10 | C9 | 121.1° | 119.9° |
| C11 | C10 | H10 | 119.5° | 120.1° |
| C31 | C32 | C33 | 120.7° | 120.2° |
| C32 | C31 | H31 | 119.7° | 120.0° |
| C31 | C32 | H32 | 119.7° | 119.9° |
| C10 | C9 | C33 | 120.1° | 120.0° |
| C10 | C9 | O2 | 121.9° | 120.0° |
| C9 | C10 | H10 | 119.4° | 120.1° |
| C1 | O1 | C2 | 116.9° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 123.0° | 120.1° |
| O1 | C2 | C7 | 115.7° | 120.1° |
| C2 | C3 | C4 | 119.5° | 119.9° |
| C3 | C2 | C7 | 121.2° | 119.8° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C4 | C3 | H4 | 120.3° | 120.0° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C2 | C7 | C8 | 120.5° | 120.0° |
| C2 | C7 | C6 | 118.1° | 119.9° |
| C32 | C33 | C9 | 118.7° | 120.2° |
| C32 | C33 | O4 | 125.9° | 119.9° |
| C33 | C32 | H32 | 119.7° | 119.9° |
| C33 | C9 | O2 | 118.0° | 120.0° |
| C9 | C33 | O4 | 115.4° | 119.9° |
| C9 | O2 | C8 | 116.8° | 117.0° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C5 | C4 | H5 | 119.7° | 120.0° |
| C4 | C5 | H6 | 120.1° | 119.9° |
| C8 | C7 | C6 | 121.4° | 120.1° |
| C7 | C8 | O2 | 106.3° | 109.5° |
| C7 | C8 | H8 | 110.3° | 109.5° |
| C7 | C8 | H9 | 110.3° | 109.5° |
| C7 | C6 | C5 | 121.0° | 120.1° |
| C7 | C6 | H7 | 119.5° | 119.9° |
| O2 | C8 | H8 | 110.3° | 109.5° |
| O2 | C8 | H9 | 110.2° | 109.5° |
| C33 | O4 | C34 | 118.2° | 117.0° |
| C6 | C5 | H6 | 120.2° | 120.0° |
| C5 | C6 | H7 | 119.5° | 120.0° |
| O4 | C34 | H33 | 109.5° | 109.5° |
| O4 | C34 | H34 | 109.5° | 109.5° |
| O4 | C34 | H35 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.6° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.4° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.6° |
| H24 | C26 | H25 | 109.5° | 109.4° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H33 | C34 | H34 | 109.5° | 109.5° |
| H33 | C34 | H35 | 109.5° | 109.4° |
| H34 | C34 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C24 | C25 | C26 | 12.3° | 28.1° |
| O3 | C24 | C25 | N2 | 176.5° | 179.9° |
| O3 | C24 | N2 | C13 | 4.6° | 3.2° |
| O3 | C24 | C25 | C30 | 136.9° | 146.4° |
| O3 | C24 | N2 | N1 | 176.8° | 176.8° |
| O3 | C24 | C25 | H23 | 108.5° | 93.9° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | H24 | 120.5° | 120.0° |
| C27 | C26 | C25 | H25 | 120.5° | 120.0° |
| C26 | C27 | C28 | C29 | 2.9° | 0.2° |
| C27 | C26 | C25 | C24 | 102.2° | 169.2° |
| C27 | C26 | C25 | C30 | 13.9° | 50.5° |
| C27 | C26 | C25 | H23 | 136.7° | 69.3° |
| C27 | C26 | H24 | H25 | 118.6° | 119.9° |
| C26 | C27 | C28 | H27 | 177.1° | 179.8° |
| C28 | C27 | C26 | C25 | 25.2° | 17.4° |
| C27 | C28 | C29 | H27 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 40.4° | 17.1° |
| C28 | C27 | C26 | H24 | 95.3° | 102.7° |
| C28 | C27 | C26 | H25 | 145.6° | 137.4° |
| C27 | C28 | C29 | H28 | 160.2° | 137.4° |
| C27 | C28 | C29 | H29 | 79.5° | 102.7° |
| C26 | C25 | C24 | C30 | 124.6° | 118.3° |
| C26 | C25 | C24 | H23 | 120.8° | 122.0° |
| C26 | C25 | C24 | N2 | 164.3° | 151.8° |
| C26 | C25 | C30 | H23 | 122.9° | 120.3° |
| C26 | C25 | C30 | C29 | 23.1° | 69.2° |
| C26 | C25 | C30 | C12 | 173.5° | 170.3° |
| C25 | C26 | H24 | H25 | 118.5° | 120.0° |
| C25 | C26 | C27 | H26 | 154.8° | 162.6° |
| C26 | C25 | C30 | H30 | 83.4° | 50.0° |
| C28 | C29 | C30 | C25 | 48.5° | 50.3° |
| C28 | C29 | C30 | H28 | 119.9° | 120.1° |
| C28 | C29 | C30 | H29 | 119.9° | 119.9° |
| C28 | C29 | C30 | C12 | 169.2° | 169.8° |
| C29 | C28 | C27 | H26 | 177.1° | 179.8° |
| C28 | C29 | H28 | H29 | 120.3° | 119.9° |
| C28 | C29 | C30 | H30 | 57.7° | 69.1° |
| C25 | C24 | N2 | C13 | 172.0° | 176.7° |
| C24 | C25 | C30 | H23 | 115.0° | 119.8° |
| C25 | C24 | N2 | N1 | 6.7° | 3.2° |
| C24 | C25 | C30 | C29 | 145.1° | 170.9° |
| C24 | C25 | C30 | C12 | 64.5° | 50.5° |
| C24 | C25 | C26 | H24 | 137.4° | 49.1° |
| C24 | C25 | C26 | H25 | 18.3° | 70.9° |
| C24 | C25 | C30 | H30 | 38.7° | 69.8° |
| C24 | N2 | C13 | C14 | 131.4° | 120.0° |
| C24 | N2 | C13 | N1 | 178.7° | 180.0° |
| C24 | N2 | C13 | C23 | 104.0° | 120.3° |
| N2 | C24 | C25 | C30 | 39.7° | 33.5° |
| C24 | N2 | N1 | C12 | 28.2° | 23.1° |
| C24 | N2 | C13 | H11 | 13.3° | 0.2° |
| N2 | C24 | C25 | H23 | 74.9° | 86.2° |
| N3 | C15 | C14 | H14 | 120.4° | 120.0° |
| N3 | C15 | C14 | H15 | 120.4° | 119.9° |
| N3 | C15 | C14 | C13 | 53.7° | 59.2° |
| C15 | N3 | C22 | C16 | 174.0° | 124.0° |
| C15 | N3 | C22 | C23 | 54.5° | 61.8° |
| C15 | N3 | C16 | N4 | 162.3° | 0.1° |
| C15 | N3 | C16 | C21 | 15.5° | 179.7° |
| N3 | C15 | C14 | H12 | 66.4° | 179.2° |
| N3 | C15 | C14 | H13 | 173.8° | 60.7° |
| N3 | C15 | H14 | H15 | 118.9° | 119.9° |
| C15 | N3 | C22 | H19 | 65.7° | 58.2° |
| C15 | N3 | C22 | H20 | 174.8° | 178.3° |
| C15 | C14 | C13 | H12 | 120.1° | 119.9° |
| C15 | C14 | C13 | H13 | 120.1° | 119.9° |
| C15 | C14 | C13 | N2 | 179.3° | 177.6° |
| C15 | C14 | C13 | C23 | 55.7° | 57.7° |
| C14 | C15 | N3 | C22 | 54.0° | 61.8° |
| C14 | C15 | N3 | C16 | 132.1° | 174.2° |
| C15 | C14 | C13 | H11 | 60.9° | 62.3° |
| C15 | C14 | H12 | H13 | 119.7° | 120.1° |
| C14 | C15 | H14 | H15 | 118.8° | 120.0° |
| C14 | C13 | N2 | C23 | 124.6° | 119.7° |
| C14 | C13 | N2 | H11 | 118.1° | 120.1° |
| C14 | C13 | C23 | H11 | 116.6° | 120.0° |
| C14 | C13 | C23 | C22 | 57.0° | 57.7° |
| C14 | C13 | N2 | N1 | 47.3° | 60.0° |
| C13 | C14 | H12 | H13 | 119.7° | 120.1° |
| C13 | C14 | C15 | H14 | 174.1° | 60.8° |
| C13 | C14 | C15 | H15 | 66.7° | 179.1° |
| C14 | C13 | C23 | H21 | 63.1° | 62.3° |
| C14 | C13 | C23 | H22 | 177.2° | 177.6° |
| N2 | C13 | C23 | H11 | 117.5° | 120.1° |
| N2 | C13 | C23 | C22 | 177.1° | 177.6° |
| C13 | N2 | N1 | C12 | 150.5° | 156.9° |
| N2 | C13 | C14 | H12 | 60.6° | 62.5° |
| N2 | C13 | C14 | H13 | 59.2° | 57.7° |
| N2 | C13 | C23 | H21 | 62.7° | 57.7° |
| N2 | C13 | C23 | H22 | 56.9° | 62.5° |
| C13 | C23 | C22 | N3 | 55.5° | 59.2° |
| C13 | C23 | C22 | H21 | 120.2° | 119.9° |
| C13 | C23 | C22 | H22 | 120.2° | 119.9° |
| C23 | C13 | N2 | N1 | 77.3° | 59.7° |
| C23 | C13 | C14 | H12 | 64.4° | 177.6° |
| C23 | C13 | C14 | H13 | 175.8° | 62.3° |
| C13 | C23 | C22 | H19 | 64.7° | 60.8° |
| C13 | C23 | C22 | H20 | 175.8° | 179.1° |
| C13 | C23 | H21 | H22 | 119.4° | 120.1° |
| C25 | C30 | C29 | C12 | 142.3° | 119.5° |
| C25 | C30 | C29 | H30 | 106.2° | 119.4° |
| C25 | C30 | C12 | H30 | 103.0° | 120.2° |
| C25 | C30 | C12 | N1 | 51.8° | 36.4° |
| C25 | C30 | C12 | C11 | 131.6° | 143.3° |
| C30 | C25 | C26 | H24 | 106.6° | 69.6° |
| C30 | C25 | C26 | H25 | 134.3° | 170.4° |
| C25 | C30 | C29 | H28 | 168.4° | 170.5° |
| C25 | C30 | C29 | H29 | 71.3° | 69.6° |
| N3 | C22 | C23 | H19 | 120.3° | 120.0° |
| N3 | C22 | C23 | H20 | 120.2° | 120.0° |
| C22 | N3 | C16 | N4 | 11.1° | 124.2° |
| C22 | N3 | C16 | C21 | 171.1° | 56.1° |
| C22 | N3 | C15 | H14 | 174.4° | 58.2° |
| C22 | N3 | C15 | H15 | 66.3° | 178.2° |
| N3 | C22 | H19 | H20 | 119.3° | 120.0° |
| N3 | C22 | C23 | H21 | 64.6° | 60.8° |
| N3 | C22 | C23 | H22 | 175.7° | 179.1° |
| C23 | C22 | N3 | C16 | 131.5° | 174.2° |
| C22 | C23 | C13 | H11 | 59.6° | 62.3° |
| C23 | C22 | H19 | H20 | 119.3° | 120.0° |
| C22 | C23 | H21 | H22 | 119.5° | 120.0° |
| N3 | C16 | N4 | C21 | 177.9° | 179.7° |
| N3 | C16 | N4 | C17 | 178.9° | 180.0° |
| N3 | C16 | C21 | S1 | 2.4° | 0.6° |
| N3 | C16 | C21 | C18 | 178.8° | 179.7° |
| C16 | N3 | C15 | H14 | 11.7° | 65.8° |
| C16 | N3 | C15 | H15 | 107.5° | 54.2° |
| C16 | N3 | C22 | H19 | 108.3° | 65.8° |
| C16 | N3 | C22 | H20 | 11.2° | 54.2° |
| N2 | N1 | C12 | C30 | 3.8° | 0.9° |
| N2 | N1 | C12 | C11 | 179.4° | 179.4° |
| N1 | N2 | C13 | H11 | 165.4° | 179.9° |
| C29 | C30 | C12 | H30 | 111.6° | 120.9° |
| C29 | C30 | C12 | N1 | 162.9° | 155.4° |
| C29 | C30 | C12 | C11 | 13.7° | 24.4° |
| C29 | C30 | C25 | H23 | 99.8° | 51.1° |
| C30 | C29 | C28 | H27 | 139.6° | 162.8° |
| C30 | C29 | H28 | H29 | 120.4° | 119.9° |
| C30 | C12 | N1 | C11 | 176.8° | 179.7° |
| C30 | C12 | C11 | C31 | 11.1° | 38.7° |
| C30 | C12 | C11 | C10 | 168.1° | 141.3° |
| C12 | C30 | C25 | H23 | 50.5° | 69.4° |
| C12 | C30 | C29 | H28 | 49.3° | 70.0° |
| C12 | C30 | C29 | H29 | 70.9° | 49.9° |
| N4 | C16 | C21 | S1 | 179.8° | 179.7° |
| N4 | C16 | C21 | C18 | 1.0° | 0.6° |
| C16 | N4 | C17 | N5 | 0.4° | 0.0° |
| C16 | N4 | C17 | H16 | 179.6° | 179.9° |
| C21 | C16 | N4 | C17 | 1.0° | 0.3° |
| C16 | C21 | S1 | C18 | 178.8° | 179.2° |
| C16 | C21 | S1 | C20 | 179.2° | 179.5° |
| C16 | C21 | C18 | N5 | 0.4° | 0.5° |
| C16 | C21 | C18 | C19 | 178.5° | 179.7° |
| N4 | C17 | N5 | H16 | 180.0° | 179.9° |
| N4 | C17 | N5 | C18 | 0.1° | 0.0° |
| S1 | C21 | C18 | N5 | 179.4° | 179.8° |
| S1 | C21 | C18 | C19 | 0.4° | 0.4° |
| C21 | S1 | C20 | C19 | 4.0° | 0.2° |
| C21 | S1 | C20 | H18 | 176.0° | 179.9° |
| C18 | C21 | S1 | C20 | 1.9° | 0.3° |
| C21 | C18 | N5 | C17 | 0.1° | 0.2° |
| C21 | C18 | N5 | C19 | 178.8° | 179.7° |
| C21 | C18 | C19 | C20 | 3.5° | 0.3° |
| C21 | C18 | C19 | H17 | 176.6° | 179.7° |
| S1 | C20 | C19 | C18 | 5.0° | 0.0° |
| S1 | C20 | C19 | H18 | 180.0° | 180.0° |
| S1 | C20 | C19 | H17 | 175.1° | 180.0° |
| C17 | N5 | C18 | C19 | 178.9° | 180.0° |
| N1 | C12 | C11 | C31 | 172.2° | 141.5° |
| N1 | C12 | C11 | C10 | 8.5° | 38.5° |
| N1 | C12 | C30 | H30 | 51.3° | 83.8° |
| C12 | C11 | C31 | C10 | 179.2° | 180.0° |
| C12 | C11 | C31 | C32 | 178.9° | 179.9° |
| C12 | C11 | C10 | C9 | 179.5° | 179.9° |
| C12 | C11 | C10 | H10 | 0.5° | 0.0° |
| C11 | C12 | C30 | H30 | 125.4° | 96.5° |
| C12 | C11 | C31 | H31 | 1.1° | 0.0° |
| N5 | C18 | C19 | C20 | 177.7° | 180.0° |
| C18 | N5 | C17 | H16 | 179.9° | 180.0° |
| N5 | C18 | C19 | H17 | 2.3° | 0.0° |
| C18 | C19 | C20 | H17 | 180.0° | 180.0° |
| C18 | C19 | C20 | H18 | 175.0° | 180.0° |
| C11 | C31 | C32 | H31 | 180.0° | 180.0° |
| C31 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C31 | C32 | H32 | 180.0° | 180.0° |
| C10 | C11 | C31 | C32 | 0.3° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C33 | 0.8° | 0.1° |
| C11 | C10 | C9 | O2 | 179.4° | 179.8° |
| C10 | C11 | C31 | H31 | 179.7° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C9 | 0.7° | 0.0° |
| C31 | C32 | C33 | O4 | 179.8° | 179.8° |
| C10 | C9 | C33 | C32 | 1.1° | 0.0° |
| C10 | C9 | C33 | O2 | 178.7° | 179.8° |
| C10 | C9 | O2 | C8 | 27.7° | 0.2° |
| C10 | C9 | C33 | O4 | 179.7° | 179.8° |
| C1 | O1 | C2 | C3 | 8.1° | 0.2° |
| C1 | O1 | C2 | C7 | 171.4° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C7 | 179.5° | 179.7° |
| O1 | C2 | C3 | C4 | 179.5° | 180.0° |
| O1 | C2 | C7 | C8 | 0.3° | 0.0° |
| O1 | C2 | C7 | C6 | 179.8° | 179.7° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H4 | 0.5° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C3 | C2 | C7 | C8 | 179.3° | 179.7° |
| C3 | C2 | C7 | C6 | 0.6° | 0.6° |
| C2 | C3 | C4 | H5 | 179.2° | 180.0° |
| C4 | C3 | C2 | C7 | 0.9° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H6 | 179.7° | 180.0° |
| C2 | C7 | C8 | C6 | 179.9° | 179.7° |
| C2 | C7 | C8 | O2 | 177.8° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.6° |
| C7 | C2 | C3 | H4 | 179.1° | 179.8° |
| C2 | C7 | C6 | H7 | 179.9° | 179.7° |
| C2 | C7 | C8 | H8 | 62.7° | 60.0° |
| C2 | C7 | C8 | H9 | 58.4° | 60.0° |
| C32 | C33 | C9 | O4 | 179.2° | 179.7° |
| C32 | C33 | C9 | O2 | 179.8° | 179.8° |
| C32 | C33 | O4 | C34 | 5.8° | 0.3° |
| C33 | C32 | C31 | H31 | 180.0° | 180.0° |
| C33 | C9 | O2 | C8 | 150.9° | 180.0° |
| C9 | C33 | O4 | C34 | 175.1° | 180.0° |
| C33 | C9 | C10 | H10 | 179.2° | 180.0° |
| C9 | C33 | C32 | H32 | 179.3° | 180.0° |
| C9 | O2 | C8 | C7 | 105.9° | 180.0° |
| O2 | C9 | C33 | O4 | 1.0° | 0.0° |
| C9 | O2 | C8 | H8 | 134.6° | 60.0° |
| C9 | O2 | C8 | H9 | 13.6° | 59.9° |
| O2 | C9 | C10 | H10 | 0.5° | 0.2° |
| C4 | C5 | C6 | C7 | 0.0° | 0.3° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | H4 | 179.2° | 179.9° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | O2 | H8 | 119.5° | 120.0° |
| C7 | C8 | O2 | H9 | 119.5° | 120.0° |
| C8 | C7 | C6 | C5 | 179.8° | 179.7° |
| C8 | C7 | C6 | H7 | 0.2° | 0.0° |
| C7 | C8 | H8 | H9 | 121.5° | 120.0° |
| C6 | C7 | C8 | O2 | 2.2° | 0.3° |
| C7 | C6 | C5 | H7 | 180.0° | 179.7° |
| C7 | C6 | C5 | H6 | 179.9° | 179.7° |
| C6 | C7 | C8 | H8 | 117.2° | 120.3° |
| C6 | C7 | C8 | H9 | 121.7° | 119.7° |
| O2 | C8 | H8 | H9 | 121.5° | 120.0° |
| O4 | C33 | C32 | H32 | 0.2° | 0.3° |
| C33 | O4 | C34 | H33 | 180.0° | 60.0° |
| C33 | O4 | C34 | H34 | 60.0° | 180.0° |
| C33 | O4 | C34 | H35 | 60.0° | 60.0° |
| C6 | C5 | C4 | H5 | 179.7° | 180.0° |
| O4 | C34 | H33 | H34 | 120.0° | 120.0° |
| O4 | C34 | H33 | H35 | 120.0° | 120.0° |
| O4 | C34 | H34 | H35 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.8° | 0.1° |
| H5 | C4 | C5 | H6 | 0.3° | 0.0° |
| H6 | C5 | C6 | H7 | 0.1° | 0.0° |
| H11 | C13 | C14 | H12 | 179.0° | 57.6° |
| H11 | C13 | C14 | H13 | 59.2° | 177.7° |
| H11 | C13 | C23 | H21 | 179.8° | 177.8° |
| H11 | C13 | C23 | H22 | 60.6° | 57.6° |
| H12 | C14 | C15 | H14 | 54.0° | 59.1° |
| H12 | C14 | C15 | H15 | 173.2° | 60.9° |
| H13 | C14 | C15 | H14 | 65.8° | 179.3° |
| H13 | C14 | C15 | H15 | 53.4° | 59.2° |
| H17 | C19 | C20 | H18 | 4.9° | 0.1° |
| H19 | C22 | C23 | H21 | 175.1° | 179.2° |
| H19 | C22 | C23 | H22 | 55.5° | 59.1° |
| H20 | C22 | C23 | H21 | 55.6° | 59.2° |
| H20 | C22 | C23 | H22 | 64.0° | 60.9° |
| H23 | C25 | C26 | H24 | 16.3° | 170.7° |
| H23 | C25 | C26 | H25 | 102.8° | 50.7° |
| H23 | C25 | C30 | H30 | 153.7° | 170.4° |
| H24 | C26 | C27 | H26 | 84.7° | 77.3° |
| H25 | C26 | C27 | H26 | 34.4° | 42.6° |
| H26 | C27 | C28 | H27 | 2.9° | 0.3° |
| H27 | C28 | C29 | H28 | 19.8° | 42.6° |
| H27 | C28 | C29 | H29 | 100.5° | 77.3° |
| H28 | C29 | C30 | H30 | 62.2° | 51.1° |
| H29 | C29 | C30 | H30 | 177.5° | 171.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H33 | C34 | H34 | H35 | 120.0° | 119.9° |
