85U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C11 | doub | 1.21Å | 1.21Å | |
| N8 | C25 | sing | 1.38Å | 1.34Å | |
| O1 | C3 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C1 | sing | 1.48Å | 1.49Å | |
| C11 | O2 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | O2 | sing | 1.45Å | 1.45Å | |
| C1 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | N9 | sing | 1.33Å | 1.35Å | Aromatic |
| N7 | C24 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C23 | doub | 1.30Å | 1.31Å | Aromatic |
| C24 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| N9 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C27 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
| C27 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C26 | N10 | sing | 1.32Å | 1.34Å | Aromatic |
| O4 | C13 | doub | 1.22Å | 1.23Å | |
| N6 | C22 | sing | 1.47Å | 1.46Å | |
| C29 | N4 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C8 | N1 | sing | 1.40Å | 1.42Å | |
| C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.37Å | |
| C13 | N2 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| N4 | C17 | sing | 1.38Å | 1.35Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C22 | O7 | sing | 1.44Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C21 | O6 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.54Å | 1.53Å | |
| C30 | C18 | doub | 1.31Å | 1.31Å | |
| C18 | C19 | sing | 1.51Å | 1.47Å | |
| O7 | C19 | sing | 1.44Å | 1.44Å | |
| C17 | N3 | sing | 1.37Å | 1.35Å | |
| C17 | N5 | doub | 1.30Å | 1.30Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| N3 | C28 | sing | 1.47Å | 1.45Å | |
| C20 | O5 | sing | 1.43Å | 1.43Å | |
| C16 | C28 | sing | 1.53Å | 1.51Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C11 | C1 | 124.2° | 120.0° |
| O3 | C11 | O2 | 123.3° | 120.0° |
| N8 | C25 | C24 | 123.9° | 120.8° |
| N8 | C25 | N9 | 118.5° | 120.8° |
| C25 | N8 | H30 | 109.5° | 120.0° |
| C25 | N8 | H29 | 109.5° | 120.0° |
| O1 | C3 | C2 | 122.6° | 120.0° |
| O1 | C3 | C4 | 116.4° | 120.0° |
| C3 | O1 | H6 | 109.5° | 114.0° |
| C3 | C2 | C1 | 120.5° | 120.8° |
| C2 | C3 | C4 | 121.1° | 119.9° |
| C3 | C2 | H1 | 119.7° | 119.6° |
| C2 | C1 | C11 | 118.0° | 119.8° |
| C2 | C1 | C6 | 120.1° | 120.5° |
| C1 | C2 | H1 | 119.8° | 119.6° |
| C1 | C11 | O2 | 112.5° | 120.0° |
| C11 | C1 | C6 | 121.9° | 119.7° |
| C11 | O2 | C12 | 115.9° | 117.0° |
| C3 | C4 | C7 | 123.0° | 121.0° |
| C3 | C4 | C5 | 118.3° | 119.7° |
| O2 | C12 | H9 | 109.5° | 109.5° |
| O2 | C12 | H10 | 109.5° | 109.5° |
| O2 | C12 | H8 | 109.5° | 109.5° |
| C1 | C6 | C5 | 121.2° | 119.6° |
| C1 | C6 | H2 | 119.4° | 120.2° |
| C24 | C25 | N9 | 117.7° | 118.4° |
| C25 | C24 | N7 | 132.4° | 134.7° |
| C25 | C24 | C27 | 116.9° | 118.2° |
| C25 | N9 | C26 | 118.8° | 121.2° |
| C24 | N7 | C23 | 103.7° | 109.4° |
| N7 | C24 | C27 | 110.7° | 107.2° |
| N7 | C23 | N6 | 114.1° | 110.0° |
| N7 | C23 | H28 | 122.9° | 125.1° |
| C24 | C27 | N6 | 105.8° | 106.0° |
| C24 | C27 | N10 | 126.7° | 119.1° |
| N9 | C26 | N10 | 128.7° | 122.4° |
| N9 | C26 | H31 | 115.6° | 118.8° |
| C7 | C4 | C5 | 118.6° | 119.4° |
| C4 | C7 | C8 | 121.2° | 119.6° |
| C4 | C7 | H3 | 119.4° | 120.2° |
| C4 | C5 | C6 | 118.8° | 119.5° |
| C4 | C5 | C10 | 118.7° | 119.6° |
| C6 | C5 | C10 | 122.5° | 120.9° |
| C5 | C6 | H2 | 119.4° | 120.2° |
| C23 | N6 | C27 | 105.6° | 107.5° |
| C23 | N6 | C22 | 127.0° | 126.3° |
| N6 | C23 | H28 | 123.0° | 125.0° |
| C7 | C8 | N1 | 121.1° | 119.7° |
| C7 | C8 | C9 | 119.5° | 120.7° |
| C8 | C7 | H3 | 119.4° | 120.2° |
| C5 | C10 | C9 | 120.9° | 119.9° |
| C5 | C10 | H5 | 119.6° | 120.0° |
| N6 | C27 | N10 | 127.5° | 134.9° |
| C27 | N6 | C22 | 127.3° | 126.3° |
| C27 | N10 | C26 | 111.2° | 120.6° |
| N10 | C26 | H31 | 115.6° | 118.8° |
| O4 | C13 | N1 | 123.5° | 120.0° |
| O4 | C13 | N2 | 122.3° | 120.0° |
| N6 | C22 | C21 | 114.7° | 110.4° |
| N6 | C22 | O7 | 108.7° | 110.4° |
| N6 | C22 | H27 | 109.3° | 110.4° |
| N4 | C29 | C30 | 110.0° | 109.5° |
| C29 | N4 | C17 | 123.9° | 120.0° |
| N4 | C29 | H34 | 109.3° | 109.5° |
| N4 | C29 | H35 | 109.3° | 109.5° |
| C29 | N4 | H19 | 118.0° | 120.0° |
| C29 | C30 | C18 | 124.3° | 120.0° |
| C30 | C29 | H34 | 109.3° | 109.5° |
| C30 | C29 | H35 | 109.4° | 109.4° |
| C29 | C30 | H36 | 117.8° | 120.0° |
| N1 | C8 | C9 | 119.4° | 119.7° |
| C8 | N1 | C13 | 127.0° | 120.0° |
| C8 | N1 | H7 | 116.5° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.9° |
| C8 | C9 | H4 | 119.4° | 119.6° |
| C9 | C10 | H5 | 119.6° | 120.1° |
| C10 | C9 | H4 | 119.4° | 119.6° |
| N1 | C13 | N2 | 114.2° | 120.0° |
| C13 | N1 | H7 | 116.5° | 120.0° |
| C13 | N2 | C14 | 122.5° | 120.0° |
| C13 | N2 | H11 | 118.8° | 120.0° |
| C15 | C14 | N2 | 113.0° | 109.5° |
| C14 | C15 | C16 | 112.7° | 109.4° |
| C15 | C14 | H12 | 108.6° | 109.5° |
| C15 | C14 | H13 | 108.6° | 109.5° |
| C14 | C15 | H15 | 108.7° | 109.5° |
| C14 | C15 | H14 | 108.7° | 109.4° |
| N2 | C14 | H12 | 108.6° | 109.5° |
| N2 | C14 | H13 | 108.6° | 109.4° |
| C14 | N2 | H11 | 118.8° | 120.0° |
| N4 | C17 | N3 | 117.8° | 120.0° |
| N4 | C17 | N5 | 119.8° | 120.0° |
| C17 | N4 | H19 | 118.1° | 120.0° |
| C21 | C22 | O7 | 105.7° | 104.8° |
| C22 | C21 | O6 | 112.9° | 110.5° |
| C22 | C21 | C20 | 99.9° | 104.1° |
| C22 | C21 | H25 | 109.6° | 110.6° |
| C21 | C22 | H27 | 108.4° | 110.4° |
| C22 | O7 | C19 | 109.9° | 105.3° |
| O7 | C22 | H27 | 109.9° | 110.4° |
| C15 | C16 | C28 | 114.3° | 109.4° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C16 | C15 | H14 | 108.7° | 109.5° |
| C15 | C16 | H17 | 108.3° | 109.5° |
| C15 | C16 | H16 | 108.3° | 109.5° |
| O6 | C21 | C20 | 113.2° | 110.5° |
| O6 | C21 | H25 | 111.1° | 110.5° |
| C21 | O6 | H26 | 109.5° | 114.0° |
| C21 | C20 | C19 | 100.7° | 104.1° |
| C21 | C20 | O5 | 113.8° | 110.5° |
| C21 | C20 | H23 | 109.8° | 110.7° |
| C20 | C21 | H25 | 109.6° | 110.5° |
| C30 | C18 | C19 | 125.2° | 120.0° |
| C30 | C18 | H21 | 117.4° | 120.0° |
| C18 | C30 | H36 | 117.8° | 120.0° |
| C18 | C19 | O7 | 109.3° | 110.3° |
| C18 | C19 | C20 | 114.1° | 110.4° |
| C19 | C18 | H21 | 117.4° | 120.0° |
| C18 | C19 | H22 | 109.6° | 110.4° |
| O7 | C19 | C20 | 104.8° | 104.8° |
| O7 | C19 | H22 | 110.1° | 110.4° |
| N3 | C17 | N5 | 122.4° | 120.0° |
| C17 | N3 | C28 | 122.8° | 120.0° |
| C17 | N3 | H18 | 118.6° | 120.0° |
| C17 | N5 | H20 | 112.0° | 120.0° |
| C19 | C20 | O5 | 111.0° | 110.5° |
| C20 | C19 | H22 | 108.8° | 110.4° |
| C19 | C20 | H23 | 109.7° | 110.5° |
| N3 | C28 | C16 | 111.9° | 109.5° |
| N3 | C28 | H33 | 108.9° | 109.4° |
| N3 | C28 | H32 | 108.8° | 109.5° |
| C28 | N3 | H18 | 118.6° | 120.0° |
| O5 | C20 | H23 | 111.3° | 110.4° |
| C20 | O5 | H24 | 109.5° | 114.0° |
| C28 | C16 | H17 | 108.3° | 109.5° |
| C28 | C16 | H16 | 108.2° | 109.4° |
| C16 | C28 | H33 | 108.9° | 109.5° |
| C16 | C28 | H32 | 108.9° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H8 | 109.5° | 109.5° |
| H10 | C12 | H8 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H15 | C15 | H14 | 109.4° | 109.5° |
| H17 | C16 | H16 | 109.4° | 109.5° |
| H33 | C28 | H32 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.4° |
| H30 | N8 | H29 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C11 | C1 | C2 | 0.2° | 179.8° |
| O3 | C11 | C1 | O2 | 179.9° | 180.0° |
| O3 | C11 | O2 | C12 | 49.0° | 0.0° |
| O3 | C11 | C1 | C6 | 179.9° | 0.0° |
| N8 | C25 | C24 | N9 | 179.8° | 179.9° |
| N8 | C25 | C24 | N7 | 0.2° | 0.5° |
| N8 | C25 | C24 | C27 | 179.7° | 180.0° |
| N8 | C25 | N9 | C26 | 179.6° | 180.0° |
| C25 | N8 | H30 | H29 | 120.0° | 180.0° |
| O1 | C3 | C2 | C4 | 179.9° | 179.9° |
| O1 | C3 | C2 | C1 | 180.0° | 180.0° |
| O1 | C3 | C4 | C7 | 0.1° | 0.0° |
| O1 | C3 | C4 | C5 | 180.0° | 180.0° |
| O1 | C3 | C2 | H1 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C11 | 179.9° | 179.7° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | C7 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | O1 | H6 | 180.0° | 90.0° |
| C2 | C1 | C11 | C6 | 179.9° | 179.8° |
| C2 | C1 | C11 | O2 | 179.9° | 0.2° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H2 | 179.9° | 179.8° |
| C1 | C11 | O2 | C12 | 131.1° | 180.0° |
| C11 | C1 | C6 | C5 | 180.0° | 179.7° |
| C11 | C1 | C2 | H1 | 0.1° | 0.3° |
| C11 | C1 | C6 | H2 | 0.0° | 0.0° |
| O2 | C11 | C1 | C6 | 0.0° | 180.0° |
| C11 | O2 | C12 | H9 | 180.0° | 180.0° |
| C11 | O2 | C12 | H10 | 60.0° | 60.0° |
| C11 | O2 | C12 | H8 | 60.0° | 60.0° |
| C3 | C4 | C7 | C5 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C7 | C8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C10 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C7 | H3 | 0.0° | 0.1° |
| C4 | C3 | O1 | H6 | 0.0° | 90.0° |
| O2 | C12 | H9 | H10 | 120.0° | 120.0° |
| O2 | C12 | H9 | H8 | 120.0° | 120.0° |
| O2 | C12 | H10 | H8 | 120.0° | 120.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H2 | 180.0° | 179.7° |
| C1 | C6 | C5 | C10 | 179.8° | 180.0° |
| C6 | C1 | C2 | H1 | 179.9° | 180.0° |
| C25 | C24 | N7 | C27 | 179.8° | 179.6° |
| C25 | C24 | N7 | C23 | 179.7° | 179.8° |
| C24 | C25 | N9 | C26 | 0.3° | 0.1° |
| C25 | C24 | C27 | N6 | 179.9° | 180.0° |
| C25 | C24 | C27 | N10 | 0.3° | 0.1° |
| C24 | C25 | N8 | H30 | 179.8° | 0.1° |
| C24 | C25 | N8 | H29 | 59.8° | 180.0° |
| N9 | C25 | C24 | N7 | 180.0° | 179.4° |
| N9 | C25 | C24 | C27 | 0.2° | 0.1° |
| C25 | N9 | C26 | N10 | 0.5° | 0.0° |
| C25 | N9 | C26 | H31 | 179.5° | 180.0° |
| N9 | C25 | N8 | H30 | 0.0° | 179.9° |
| N9 | C25 | N8 | H29 | 120.0° | 0.1° |
| C24 | N7 | C23 | N6 | 0.2° | 0.0° |
| N7 | C24 | C27 | N6 | 0.0° | 0.4° |
| N7 | C24 | C27 | N10 | 179.8° | 179.6° |
| C24 | N7 | C23 | H28 | 179.8° | 179.8° |
| C23 | N7 | C24 | C27 | 0.1° | 0.2° |
| N7 | C23 | N6 | H28 | 180.0° | 179.8° |
| N7 | C23 | N6 | C27 | 0.2° | 0.2° |
| N7 | C23 | N6 | C22 | 179.0° | 179.7° |
| C24 | C27 | N6 | C23 | 0.1° | 0.4° |
| C24 | C27 | N6 | N10 | 179.8° | 179.9° |
| C24 | C27 | N10 | C26 | 0.5° | 0.0° |
| C24 | C27 | N6 | C22 | 179.1° | 179.6° |
| N9 | C26 | N10 | C27 | 0.6° | 0.0° |
| N9 | C26 | N10 | H31 | 180.0° | 180.0° |
| C7 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C4 | C5 | C10 | 0.2° | 0.0° |
| C4 | C7 | C8 | N1 | 179.9° | 180.0° |
| C4 | C7 | C8 | C9 | 0.1° | 0.0° |
| C4 | C5 | C6 | C10 | 179.9° | 179.9° |
| C5 | C4 | C7 | C8 | 0.2° | 0.0° |
| C4 | C5 | C10 | C9 | 0.0° | 0.0° |
| C4 | C5 | C10 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.9° | 179.8° |
| C5 | C4 | C7 | H3 | 179.8° | 180.0° |
| C6 | C5 | C10 | C9 | 179.9° | 180.0° |
| C6 | C5 | C10 | H5 | 0.1° | 0.1° |
| C23 | N6 | C27 | C22 | 179.2° | 180.0° |
| C23 | N6 | C27 | N10 | 179.9° | 179.6° |
| C23 | N6 | C22 | C21 | 51.3° | 95.0° |
| C23 | N6 | C22 | O7 | 66.8° | 20.4° |
| C23 | N6 | C22 | H27 | 173.2° | 142.7° |
| C7 | C8 | N1 | C9 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | N1 | C13 | 5.5° | 146.3° |
| C7 | C8 | C9 | H4 | 179.7° | 180.0° |
| C7 | C8 | N1 | H7 | 174.5° | 33.7° |
| C5 | C10 | C9 | C8 | 0.2° | 0.0° |
| C5 | C10 | C9 | H5 | 180.0° | 179.9° |
| C10 | C5 | C6 | H2 | 0.2° | 0.3° |
| C5 | C10 | C9 | H4 | 179.7° | 180.0° |
| N6 | C27 | N10 | C26 | 179.8° | 179.9° |
| C27 | N6 | C22 | C21 | 127.7° | 85.1° |
| C27 | N6 | C22 | O7 | 114.1° | 159.6° |
| C27 | N6 | C22 | H27 | 5.8° | 37.3° |
| C27 | N6 | C23 | H28 | 179.8° | 180.0° |
| N10 | C27 | N6 | C22 | 0.7° | 0.5° |
| C27 | N10 | C26 | H31 | 179.4° | 180.0° |
| O4 | C13 | N1 | C8 | 29.5° | 5.3° |
| O4 | C13 | N1 | N2 | 179.6° | 179.9° |
| O4 | C13 | N2 | C14 | 1.2° | 0.1° |
| O4 | C13 | N1 | H7 | 150.5° | 174.7° |
| O4 | C13 | N2 | H11 | 178.8° | 180.0° |
| N6 | C22 | C21 | O7 | 119.8° | 118.8° |
| N6 | C22 | C21 | H27 | 122.4° | 122.4° |
| N6 | C22 | O7 | H27 | 119.6° | 122.4° |
| N6 | C22 | C21 | O6 | 82.9° | 98.6° |
| N6 | C22 | C21 | C20 | 156.6° | 142.8° |
| N6 | C22 | O7 | C19 | 139.7° | 159.3° |
| N6 | C22 | C21 | H25 | 41.5° | 24.1° |
| C22 | N6 | C23 | H28 | 1.0° | 0.1° |
| N4 | C29 | C30 | H34 | 120.1° | 120.0° |
| N4 | C29 | C30 | H35 | 120.1° | 120.0° |
| C29 | N4 | C17 | H19 | 180.0° | 180.0° |
| N4 | C29 | C30 | C18 | 70.5° | 125.0° |
| C29 | N4 | C17 | N3 | 170.0° | 180.0° |
| C29 | N4 | C17 | N5 | 10.4° | 0.0° |
| N4 | C29 | H34 | H35 | 119.8° | 120.0° |
| N4 | C29 | C30 | H36 | 109.5° | 55.0° |
| C30 | C29 | N4 | C17 | 83.0° | 180.0° |
| C29 | C30 | C18 | H36 | 180.0° | 179.9° |
| C29 | C30 | C18 | C19 | 179.3° | 180.0° |
| C29 | C30 | C18 | H21 | 0.7° | 0.1° |
| C30 | C29 | H34 | H35 | 119.8° | 119.9° |
| C30 | C29 | N4 | H19 | 97.0° | 0.0° |
| N1 | C8 | C9 | C10 | 179.7° | 180.0° |
| C8 | N1 | C13 | H7 | 180.0° | 180.0° |
| C8 | N1 | C13 | N2 | 150.9° | 174.7° |
| N1 | C8 | C7 | H3 | 0.1° | 0.0° |
| N1 | C8 | C9 | H4 | 0.3° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C9 | C8 | N1 | C13 | 174.5° | 33.7° |
| C8 | C9 | C10 | H5 | 179.8° | 180.0° |
| C9 | C8 | C7 | H3 | 179.9° | 180.0° |
| C9 | C8 | N1 | H7 | 5.5° | 146.3° |
| N1 | C13 | N2 | C14 | 179.2° | 180.0° |
| N1 | C13 | N2 | H11 | 0.8° | 0.1° |
| C13 | N2 | C14 | C15 | 75.4° | 179.9° |
| C13 | N2 | C14 | H11 | 180.0° | 179.9° |
| C13 | N2 | C14 | H12 | 45.1° | 59.9° |
| C13 | N2 | C14 | H13 | 164.0° | 60.1° |
| N2 | C13 | N1 | H7 | 29.1° | 5.3° |
| C15 | C14 | N2 | H12 | 120.5° | 120.0° |
| C15 | C14 | N2 | H13 | 120.5° | 120.0° |
| C14 | C15 | C16 | H15 | 120.5° | 120.0° |
| C14 | C15 | C16 | H14 | 120.5° | 119.9° |
| C14 | C15 | C16 | C28 | 162.0° | 180.0° |
| C15 | C14 | H12 | H13 | 118.4° | 120.0° |
| C14 | C15 | H15 | H14 | 118.5° | 120.0° |
| C14 | C15 | C16 | H17 | 77.3° | 60.0° |
| C14 | C15 | C16 | H16 | 41.2° | 60.1° |
| C15 | C14 | N2 | H11 | 104.6° | 0.1° |
| N2 | C14 | C15 | C16 | 86.2° | 179.9° |
| N2 | C14 | H12 | H13 | 118.4° | 120.0° |
| N2 | C14 | C15 | H15 | 153.3° | 60.0° |
| N2 | C14 | C15 | H14 | 34.3° | 60.0° |
| N4 | C17 | N3 | N5 | 179.6° | 180.0° |
| N4 | C17 | N3 | C28 | 148.2° | 180.0° |
| C17 | N4 | C29 | H34 | 37.1° | 60.0° |
| C17 | N4 | C29 | H35 | 156.9° | 60.0° |
| N4 | C17 | N3 | H18 | 31.8° | 0.1° |
| N4 | C17 | N5 | H20 | 179.6° | 180.0° |
| C21 | C22 | O7 | H27 | 116.8° | 118.8° |
| C22 | C21 | O6 | C20 | 112.6° | 114.6° |
| C22 | C21 | O6 | H25 | 123.6° | 122.7° |
| C22 | C21 | C20 | H25 | 115.1° | 118.8° |
| C21 | C22 | O7 | C19 | 16.1° | 40.5° |
| C22 | C21 | C20 | C19 | 42.1° | 0.0° |
| C22 | C21 | C20 | O5 | 76.8° | 118.6° |
| C22 | C21 | C20 | H23 | 157.8° | 118.7° |
| C22 | C21 | O6 | H26 | 180.0° | 176.1° |
| O7 | C22 | C21 | O6 | 157.3° | 142.6° |
| O7 | C22 | C21 | C20 | 36.8° | 24.0° |
| C22 | O7 | C19 | C18 | 111.0° | 159.3° |
| C22 | O7 | C19 | C20 | 11.7° | 40.5° |
| C22 | O7 | C19 | H22 | 128.6° | 78.4° |
| O7 | C22 | C21 | H25 | 78.3° | 94.7° |
| C15 | C16 | C28 | N3 | 46.6° | 179.9° |
| C15 | C16 | C28 | H17 | 120.7° | 120.0° |
| C15 | C16 | C28 | H16 | 120.7° | 120.0° |
| C16 | C15 | C14 | H12 | 153.2° | 60.1° |
| C16 | C15 | C14 | H13 | 34.3° | 60.0° |
| C16 | C15 | H15 | H14 | 118.5° | 120.0° |
| C15 | C16 | H17 | H16 | 117.8° | 120.0° |
| C15 | C16 | C28 | H33 | 73.8° | 60.0° |
| C15 | C16 | C28 | H32 | 166.9° | 60.1° |
| O6 | C21 | C20 | H25 | 124.6° | 122.6° |
| O6 | C21 | C20 | C19 | 162.4° | 118.6° |
| O6 | C21 | C20 | O5 | 43.5° | 0.0° |
| O6 | C21 | C20 | H23 | 81.9° | 122.7° |
| O6 | C21 | C22 | H27 | 39.5° | 23.8° |
| C21 | C20 | C19 | C18 | 85.3° | 142.8° |
| C21 | C20 | C19 | O7 | 34.2° | 24.0° |
| C21 | C20 | C19 | O5 | 120.9° | 118.6° |
| C21 | C20 | C19 | H23 | 115.7° | 118.8° |
| C21 | C20 | O5 | H23 | 124.7° | 122.8° |
| C21 | C20 | C19 | H22 | 151.9° | 94.9° |
| C20 | C21 | C22 | H27 | 81.0° | 94.8° |
| C21 | C20 | O5 | H24 | 180.0° | 176.1° |
| C20 | C21 | O6 | H26 | 67.5° | 61.4° |
| C30 | C18 | C19 | H21 | 180.0° | 180.0° |
| C30 | C18 | C19 | O7 | 83.0° | 9.6° |
| C30 | C18 | C19 | C20 | 160.1° | 125.0° |
| C30 | C18 | C19 | H22 | 37.7° | 112.7° |
| C18 | C30 | C29 | H34 | 169.4° | 115.0° |
| C18 | C30 | C29 | H35 | 49.6° | 4.9° |
| C18 | C19 | O7 | C20 | 122.6° | 118.8° |
| C18 | C19 | O7 | H22 | 120.5° | 122.3° |
| C18 | C19 | C20 | H22 | 122.8° | 122.3° |
| C18 | C19 | C20 | O5 | 153.9° | 98.6° |
| C18 | C19 | C20 | H23 | 30.5° | 24.0° |
| C19 | C18 | C30 | H36 | 0.7° | 0.0° |
| O7 | C19 | C20 | H22 | 117.8° | 118.9° |
| O7 | C19 | C20 | O5 | 86.7° | 142.6° |
| O7 | C19 | C18 | H21 | 97.0° | 170.4° |
| O7 | C19 | C20 | H23 | 149.9° | 94.8° |
| C19 | O7 | C22 | H27 | 100.7° | 78.3° |
| C17 | N3 | C28 | H18 | 180.0° | 179.9° |
| C17 | N3 | C28 | C16 | 158.2° | 180.0° |
| C17 | N3 | C28 | H33 | 37.8° | 60.1° |
| C17 | N3 | C28 | H32 | 81.5° | 59.9° |
| N3 | C17 | N4 | H19 | 10.1° | 0.0° |
| N3 | C17 | N5 | H20 | 0.0° | 0.0° |
| N5 | C17 | N3 | C28 | 32.2° | 0.1° |
| N5 | C17 | N3 | H18 | 147.8° | 179.9° |
| N5 | C17 | N4 | H19 | 169.6° | 180.0° |
| C19 | C20 | O5 | H23 | 122.5° | 122.6° |
| C20 | C19 | C18 | H21 | 19.9° | 55.1° |
| C19 | C20 | C21 | H25 | 72.9° | 118.8° |
| C19 | C20 | O5 | H24 | 67.2° | 61.4° |
| N3 | C28 | C16 | H33 | 120.4° | 120.0° |
| N3 | C28 | C16 | H32 | 120.3° | 120.0° |
| N3 | C28 | C16 | H17 | 74.1° | 60.0° |
| N3 | C28 | C16 | H16 | 167.3° | 60.0° |
| N3 | C28 | H33 | H32 | 118.9° | 120.0° |
| O5 | C20 | C19 | H22 | 31.1° | 23.8° |
| O5 | C20 | C21 | H25 | 168.2° | 122.6° |
| C28 | C16 | C15 | H15 | 41.4° | 60.0° |
| C28 | C16 | C15 | H14 | 77.5° | 60.1° |
| C28 | C16 | H17 | H16 | 117.8° | 120.0° |
| C16 | C28 | H33 | H32 | 118.9° | 120.0° |
| C16 | C28 | N3 | H18 | 21.8° | 0.1° |
| H5 | C10 | C9 | H4 | 0.3° | 0.0° |
| H9 | C12 | H10 | H8 | 120.0° | 120.0° |
| H12 | C14 | C15 | H15 | 32.7° | 60.0° |
| H12 | C14 | C15 | H14 | 86.3° | 180.0° |
| H12 | C14 | N2 | H11 | 134.9° | 119.9° |
| H13 | C14 | C15 | H15 | 86.2° | 180.0° |
| H13 | C14 | C15 | H14 | 154.8° | 60.0° |
| H13 | C14 | N2 | H11 | 16.0° | 120.1° |
| H15 | C15 | C16 | H17 | 162.2° | 180.0° |
| H15 | C15 | C16 | H16 | 79.3° | 60.0° |
| H14 | C15 | C16 | H17 | 43.2° | 60.0° |
| H14 | C15 | C16 | H16 | 161.7° | NaN° |
| H17 | C16 | C28 | H33 | 165.5° | 180.0° |
| H17 | C16 | C28 | H32 | 46.2° | 60.0° |
| H16 | C16 | C28 | H33 | 46.9° | 60.0° |
| H16 | C16 | C28 | H32 | 72.3° | 180.0° |
| H21 | C18 | C19 | H22 | 142.2° | 67.3° |
| H21 | C18 | C30 | H36 | 179.3° | NaN° |
| H22 | C19 | C20 | H23 | 92.3° | 146.3° |
| H23 | C20 | C21 | H25 | 42.7° | 0.1° |
| H23 | C20 | O5 | H24 | 55.3° | 61.1° |
| H25 | C21 | C22 | H27 | 163.9° | 146.5° |
| H25 | C21 | O6 | H26 | 56.4° | 61.2° |
| H33 | C28 | N3 | H18 | 142.2° | 120.1° |
| H32 | C28 | N3 | H18 | 98.5° | 119.9° |
| H34 | C29 | C30 | H36 | 10.5° | 65.0° |
| H34 | C29 | N4 | H19 | 142.9° | 120.0° |
| H35 | C29 | C30 | H36 | 130.4° | 175.0° |
| H35 | C29 | N4 | H19 | 23.1° | 120.0° |
