I1K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | N7 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | C10 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | O1 | doub | 1.22Å | 1.24Å | |
| C10 | N6 | sing | 1.35Å | 1.34Å | |
| O2 | C27 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C9 | sing | 1.46Å | 1.46Å | |
| O3 | C28 | sing | 1.43Å | 1.42Å | |
| N2 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C1 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.55Å | 1.54Å | |
| C27 | C6 | sing | 1.54Å | 1.53Å | |
| C28 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | O | sing | 1.44Å | 1.42Å | |
| C5 | N4 | sing | 1.46Å | 1.46Å | |
| N1 | C | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | O | sing | 1.44Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C2 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | N5 | sing | 1.47Å | 1.47Å | |
| N4 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C | N | sing | 1.38Å | 1.34Å | |
| C7 | N5 | sing | 1.47Å | 1.46Å | |
| C3 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| N5 | C18 | sing | 1.47Å | 1.46Å | |
| C4 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.55Å | 1.56Å | |
| C23 | C22 | sing | 1.54Å | 1.61Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.55Å | 1.39Å | |
| N10 | C21 | doub | 1.30Å | 1.29Å | |
| C22 | N9 | sing | 1.46Å | 1.47Å | |
| C22 | C26 | sing | 1.54Å | 1.51Å | |
| C21 | N8 | sing | 1.38Å | 1.33Å | |
| C21 | N9 | sing | 1.37Å | 1.37Å | |
| C20 | N8 | sing | 1.46Å | 1.46Å | |
| C25 | C26 | sing | 1.54Å | 1.55Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| N8 | H28 | sing | 0.97Å | 1.00Å | |
| N10 | H29 | sing | 0.97Å | 1.00Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| N | H43 | sing | 0.97Å | 1.00Å | |
| N | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N7 | 115.1° | 109.5° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | C17 | 121.0° | 120.0° |
| C12 | C11 | H13 | 108.0° | 109.4° |
| C12 | C11 | H14 | 108.0° | 109.5° |
| C11 | N7 | C10 | 122.5° | 120.0° |
| C11 | N7 | H12 | 118.8° | 120.0° |
| N7 | C11 | H13 | 108.1° | 109.5° |
| N7 | C11 | H14 | 108.1° | 109.5° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C13 | C12 | C17 | 118.5° | 120.0° |
| C12 | C13 | H19 | 119.6° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | H18 | 119.9° | 120.0° |
| C14 | C13 | H19 | 119.6° | 120.0° |
| C12 | C17 | C16 | 120.6° | 120.0° |
| C12 | C17 | H15 | 119.7° | 120.0° |
| N7 | C10 | O1 | 123.3° | 120.0° |
| N7 | C10 | N6 | 114.0° | 120.0° |
| C10 | N7 | H12 | 118.8° | 120.1° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H17 | 120.2° | 120.0° |
| C15 | C14 | H18 | 119.9° | 120.0° |
| O1 | C10 | N6 | 122.6° | 120.0° |
| C10 | N6 | C9 | 124.2° | 120.0° |
| C10 | N6 | H20 | 117.9° | 120.0° |
| O2 | C27 | C28 | 115.9° | 110.5° |
| O2 | C27 | C6 | 107.2° | 110.5° |
| O2 | C27 | H40 | 111.3° | 110.6° |
| C27 | O2 | H41 | 109.5° | 114.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C16 | C17 | H15 | 119.7° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C16 | C15 | H17 | 120.2° | 120.0° |
| N6 | C9 | C8 | 107.1° | 109.4° |
| N6 | C9 | H5 | 110.0° | 109.4° |
| N6 | C9 | H6 | 110.0° | 109.5° |
| C9 | N6 | H20 | 117.9° | 120.0° |
| O3 | C28 | C27 | 112.3° | 110.5° |
| O3 | C28 | C5 | 112.2° | 110.6° |
| C28 | O3 | H11 | 109.5° | 114.0° |
| O3 | C28 | H42 | 111.7° | 110.5° |
| C1 | N2 | C2 | 111.2° | 120.6° |
| N2 | C1 | N1 | 128.8° | 122.5° |
| N2 | C1 | H7 | 115.6° | 118.7° |
| N2 | C2 | N4 | 127.4° | 134.9° |
| N2 | C2 | C3 | 126.7° | 119.1° |
| C1 | N1 | C | 118.6° | 121.2° |
| N1 | C1 | H7 | 115.6° | 118.8° |
| C9 | C8 | N5 | 116.4° | 109.5° |
| C9 | C8 | H3 | 107.7° | 109.5° |
| C9 | C8 | H4 | 107.7° | 109.5° |
| C8 | C9 | H5 | 110.1° | 109.5° |
| C8 | C9 | H6 | 110.1° | 109.5° |
| C28 | C27 | C6 | 102.6° | 104.1° |
| C27 | C28 | C5 | 100.1° | 104.1° |
| C28 | C27 | H40 | 109.7° | 110.5° |
| C27 | C28 | H42 | 109.9° | 110.5° |
| C27 | C6 | O | 106.7° | 104.8° |
| C27 | C6 | C7 | 106.0° | 110.4° |
| C27 | C6 | H9 | 110.5° | 110.5° |
| C6 | C27 | H40 | 109.7° | 110.5° |
| C28 | C5 | O | 104.5° | 104.8° |
| C28 | C5 | N4 | 115.9° | 110.4° |
| C28 | C5 | H8 | 108.4° | 110.5° |
| C5 | C28 | H42 | 110.0° | 110.6° |
| O | C5 | N4 | 108.8° | 110.4° |
| C5 | O | C6 | 107.9° | 105.3° |
| O | C5 | H8 | 109.9° | 110.3° |
| C5 | N4 | C2 | 127.0° | 126.3° |
| C5 | N4 | C4 | 127.1° | 126.3° |
| N4 | C5 | H8 | 109.2° | 110.3° |
| N1 | C | C3 | 117.6° | 118.4° |
| N1 | C | N | 118.6° | 120.8° |
| O | C6 | C7 | 111.0° | 110.4° |
| O | C6 | H9 | 111.7° | 110.3° |
| C6 | C7 | N5 | 116.2° | 109.5° |
| C6 | C7 | H1 | 107.8° | 109.5° |
| C6 | C7 | H2 | 107.8° | 109.4° |
| C7 | C6 | H9 | 110.8° | 110.3° |
| N4 | C2 | C3 | 105.8° | 106.0° |
| C2 | N4 | C4 | 105.6° | 107.4° |
| C2 | C3 | C | 117.0° | 118.2° |
| C2 | C3 | N3 | 110.7° | 107.2° |
| C8 | N5 | C7 | 119.5° | 111.0° |
| C8 | N5 | C18 | 115.8° | 110.9° |
| N5 | C8 | H3 | 107.7° | 109.5° |
| N5 | C8 | H4 | 107.7° | 109.4° |
| N4 | C4 | N3 | 114.1° | 110.0° |
| N4 | C4 | H10 | 122.9° | 125.0° |
| C3 | C | N | 123.7° | 120.8° |
| C | C3 | N3 | 132.2° | 134.7° |
| C | N | H43 | 109.5° | 120.0° |
| C | N | H44 | 109.5° | 120.0° |
| C7 | N5 | C18 | 113.9° | 111.0° |
| N5 | C7 | H1 | 107.7° | 109.5° |
| N5 | C7 | H2 | 107.8° | 109.5° |
| C3 | N3 | C4 | 103.7° | 109.4° |
| N5 | C18 | C19 | 110.8° | 109.4° |
| N5 | C18 | H22 | 109.1° | 109.5° |
| N5 | C18 | H23 | 109.1° | 109.5° |
| N3 | C4 | H10 | 122.9° | 125.1° |
| C18 | C19 | C20 | 115.0° | 109.5° |
| C19 | C18 | H22 | 109.2° | 109.5° |
| C19 | C18 | H23 | 109.1° | 109.5° |
| C18 | C19 | H24 | 108.0° | 109.5° |
| C18 | C19 | H25 | 108.1° | 109.5° |
| C24 | C23 | C22 | 105.7° | 104.2° |
| C23 | C24 | C25 | 103.3° | 102.7° |
| C23 | C24 | H36 | 111.0° | 110.8° |
| C23 | C24 | H37 | 111.0° | 110.9° |
| C24 | C23 | H38 | 110.4° | 110.5° |
| C24 | C23 | H39 | 110.4° | 110.5° |
| C23 | C22 | N9 | 115.2° | 110.1° |
| C23 | C22 | C26 | 103.1° | 106.6° |
| C23 | C22 | H31 | 107.7° | 110.0° |
| C22 | C23 | H38 | 110.4° | 110.4° |
| C22 | C23 | H39 | 110.4° | 110.4° |
| C19 | C20 | N8 | 114.0° | 109.5° |
| C20 | C19 | H24 | 108.1° | 109.5° |
| C20 | C19 | H25 | 108.1° | 109.5° |
| C19 | C20 | H26 | 108.3° | 109.5° |
| C19 | C20 | H27 | 108.3° | 109.5° |
| C24 | C25 | C26 | 107.2° | 104.2° |
| C24 | C25 | H34 | 110.0° | 110.5° |
| C24 | C25 | H35 | 110.1° | 110.6° |
| C25 | C24 | H36 | 111.0° | 110.7° |
| C25 | C24 | H37 | 111.0° | 110.7° |
| N10 | C21 | N8 | 117.5° | 120.0° |
| N10 | C21 | N9 | 122.9° | 120.0° |
| C21 | N10 | H29 | 112.0° | 120.0° |
| N9 | C22 | C26 | 112.3° | 110.1° |
| C22 | N9 | C21 | 126.2° | 120.1° |
| C22 | N9 | H30 | 116.8° | 120.0° |
| N9 | C22 | H31 | 109.3° | 110.0° |
| C22 | C26 | C25 | 104.2° | 106.6° |
| C26 | C22 | H31 | 108.8° | 110.0° |
| C22 | C26 | H32 | 110.8° | 110.0° |
| C22 | C26 | H33 | 110.7° | 110.0° |
| N8 | C21 | N9 | 119.4° | 120.0° |
| C21 | N8 | C20 | 121.3° | 120.0° |
| C21 | N8 | H28 | 119.4° | 120.0° |
| C21 | N9 | H30 | 116.9° | 120.0° |
| N8 | C20 | H26 | 108.3° | 109.5° |
| N8 | C20 | H27 | 108.3° | 109.5° |
| C20 | N8 | H28 | 119.4° | 120.0° |
| C25 | C26 | H32 | 110.8° | 110.1° |
| C25 | C26 | H33 | 110.8° | 110.1° |
| C26 | C25 | H34 | 110.1° | 110.5° |
| C26 | C25 | H35 | 110.0° | 110.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.6° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.4° |
| H32 | C26 | H33 | 109.5° | 110.1° |
| H34 | C25 | H35 | 109.5° | 110.4° |
| H36 | C24 | H37 | 109.5° | 110.7° |
| H38 | C23 | H39 | 109.4° | 110.5° |
| H43 | N | H44 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N7 | H13 | 120.8° | 120.0° |
| C12 | C11 | N7 | H14 | 120.8° | 120.0° |
| C11 | C12 | C13 | C17 | 176.3° | 179.8° |
| C11 | C12 | C13 | C14 | 173.6° | 179.7° |
| C12 | C11 | N7 | C10 | 76.5° | 180.0° |
| C11 | C12 | C17 | C16 | 175.0° | 180.0° |
| C12 | C11 | N7 | H12 | 103.6° | 0.0° |
| C12 | C11 | H13 | H14 | 117.4° | 120.0° |
| C11 | C12 | C17 | H15 | 5.0° | 0.0° |
| C11 | C12 | C13 | H19 | 6.4° | 0.0° |
| N7 | C11 | C12 | C13 | 157.6° | 90.2° |
| N7 | C11 | C12 | C17 | 26.2° | 90.0° |
| C11 | N7 | C10 | H12 | 180.0° | 180.0° |
| C11 | N7 | C10 | O1 | 2.1° | 0.0° |
| C11 | N7 | C10 | N6 | 179.2° | 180.0° |
| N7 | C11 | H13 | H14 | 117.5° | 120.0° |
| C12 | C13 | C14 | H19 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 2.4° | 0.6° |
| C13 | C12 | C17 | C16 | 1.2° | 0.3° |
| C13 | C12 | C11 | H13 | 36.8° | 149.7° |
| C13 | C12 | C11 | H14 | 81.5° | 29.8° |
| C13 | C12 | C17 | H15 | 178.8° | 179.8° |
| C12 | C13 | C14 | H18 | 177.6° | 179.8° |
| C14 | C13 | C12 | C17 | 2.7° | 0.6° |
| C13 | C14 | C15 | H18 | 180.0° | 179.6° |
| C13 | C14 | C15 | C16 | 0.6° | 0.4° |
| C13 | C14 | C15 | H17 | 179.4° | 179.7° |
| C12 | C17 | C16 | H15 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | C12 | C11 | H13 | 147.0° | 30.0° |
| C17 | C12 | C11 | H14 | 94.7° | 150.0° |
| C12 | C17 | C16 | H16 | 179.5° | 179.9° |
| C17 | C12 | C13 | H19 | 177.3° | 179.8° |
| N7 | C10 | O1 | N6 | 176.9° | 179.9° |
| N7 | C10 | N6 | C9 | 174.6° | 180.0° |
| C10 | N7 | C11 | H13 | 44.4° | 60.0° |
| C10 | N7 | C11 | H14 | 162.7° | 60.0° |
| N7 | C10 | N6 | H20 | 5.4° | 0.1° |
| C14 | C15 | C16 | C17 | 0.8° | 0.1° |
| C14 | C15 | C16 | H17 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.2° | 179.9° |
| C15 | C14 | C13 | H19 | 177.5° | 179.7° |
| O1 | C10 | N6 | C9 | 8.2° | 0.1° |
| O1 | C10 | N7 | H12 | 177.9° | 180.0° |
| O1 | C10 | N6 | H20 | 171.8° | 180.0° |
| C10 | N6 | C9 | H20 | 180.0° | 179.9° |
| C10 | N6 | C9 | C8 | 133.5° | 180.0° |
| C10 | N6 | C9 | H5 | 13.8° | 60.1° |
| C10 | N6 | C9 | H6 | 106.9° | 60.0° |
| N6 | C10 | N7 | H12 | 0.7° | 0.0° |
| O2 | C27 | C28 | O3 | 37.9° | 0.0° |
| O2 | C27 | C28 | C6 | 116.4° | 118.7° |
| O2 | C27 | C28 | H40 | 127.1° | 122.7° |
| O2 | C27 | C6 | H40 | 121.0° | 122.7° |
| O2 | C27 | C28 | C5 | 81.3° | 118.7° |
| O2 | C27 | C6 | O | 105.7° | 142.6° |
| O2 | C27 | C6 | C7 | 136.0° | 98.5° |
| O2 | C27 | C6 | H9 | 15.9° | 23.7° |
| O2 | C27 | C28 | H42 | 162.9° | 122.6° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | H17 | 179.2° | 179.9° |
| C15 | C16 | C17 | H15 | 179.5° | 180.0° |
| C16 | C15 | C14 | H18 | 179.4° | 180.0° |
| N6 | C9 | C8 | H5 | 119.6° | 119.9° |
| N6 | C9 | C8 | H6 | 119.6° | 120.0° |
| N6 | C9 | C8 | N5 | 175.2° | 174.7° |
| N6 | C9 | C8 | H3 | 54.3° | 65.3° |
| N6 | C9 | C8 | H4 | 63.8° | 54.7° |
| N6 | C9 | H5 | H6 | 121.1° | 120.0° |
| O3 | C28 | C27 | C5 | 119.2° | 118.7° |
| O3 | C28 | C27 | H42 | 125.0° | 122.5° |
| O3 | C28 | C27 | C6 | 154.3° | 118.7° |
| O3 | C28 | C5 | H42 | 125.0° | 122.7° |
| O3 | C28 | C5 | O | 162.2° | 142.6° |
| O3 | C28 | C5 | N4 | 78.0° | 98.5° |
| O3 | C28 | C5 | H8 | 45.1° | 23.7° |
| O3 | C28 | C27 | H40 | 89.1° | 122.7° |
| N2 | C1 | N1 | H7 | 180.0° | 180.0° |
| N2 | C1 | N1 | C | 0.6° | 0.0° |
| C1 | N2 | C2 | N4 | 175.3° | 180.0° |
| C1 | N2 | C2 | C3 | 0.2° | 0.0° |
| C2 | N2 | C1 | N1 | 0.4° | 0.0° |
| N2 | C2 | N4 | C5 | 1.9° | 0.1° |
| N2 | C2 | N4 | C3 | 176.3° | 180.0° |
| N2 | C2 | N4 | C4 | 176.2° | 180.0° |
| N2 | C2 | C3 | C | 0.8° | 0.0° |
| N2 | C2 | C3 | N3 | 176.5° | 180.0° |
| C2 | N2 | C1 | H7 | 179.6° | 180.0° |
| C1 | N1 | C | C3 | 1.7° | 0.0° |
| C1 | N1 | C | N | 175.6° | 180.0° |
| C9 | C8 | N5 | H3 | 121.0° | 120.0° |
| C9 | C8 | N5 | H4 | 121.0° | 120.0° |
| C9 | C8 | N5 | C7 | 66.1° | 163.7° |
| C9 | C8 | N5 | C18 | 76.1° | 72.3° |
| C9 | C8 | H3 | H4 | 116.9° | 120.1° |
| C8 | C9 | H5 | H6 | 121.1° | 120.0° |
| C8 | C9 | N6 | H20 | 46.6° | 0.1° |
| C28 | C27 | C6 | H40 | 116.5° | 118.6° |
| C27 | C28 | C5 | H42 | 115.7° | 118.7° |
| C27 | C28 | C5 | O | 42.8° | 24.0° |
| C27 | C28 | C5 | N4 | 162.6° | 142.8° |
| C28 | C27 | C6 | O | 16.8° | 23.9° |
| C28 | C27 | C6 | C7 | 101.5° | 142.8° |
| C27 | C28 | C5 | H8 | 74.3° | 94.9° |
| C28 | C27 | C6 | H9 | 138.4° | 94.9° |
| C27 | C28 | O3 | H11 | 180.0° | 61.5° |
| C28 | C27 | O2 | H41 | 180.0° | 61.5° |
| C6 | C27 | C28 | C5 | 35.1° | 0.0° |
| C27 | C6 | O | C5 | 10.3° | 40.5° |
| C27 | C6 | O | C7 | 115.0° | 118.9° |
| C27 | C6 | O | H9 | 120.9° | 118.9° |
| C27 | C6 | C7 | H9 | 119.9° | 122.4° |
| C27 | C6 | C7 | N5 | 139.9° | 176.0° |
| C27 | C6 | C7 | H1 | 18.9° | 64.0° |
| C27 | C6 | C7 | H2 | 99.1° | 56.0° |
| C6 | C27 | O2 | H41 | 66.2° | 176.2° |
| C6 | C27 | C28 | H42 | 80.7° | 118.8° |
| C28 | C5 | O | N4 | 124.4° | 118.9° |
| C28 | C5 | O | H8 | 116.1° | 119.0° |
| C28 | C5 | N4 | H8 | 122.7° | 122.4° |
| C28 | C5 | O | C6 | 33.7° | 40.5° |
| C28 | C5 | N4 | C2 | 136.5° | 88.1° |
| C28 | C5 | N4 | C4 | 50.3° | 91.8° |
| C5 | C28 | O3 | H11 | 68.1° | 176.1° |
| C5 | C28 | C27 | H40 | 151.6° | 118.6° |
| O | C5 | N4 | H8 | 119.9° | 122.2° |
| C5 | O | C6 | C7 | 125.3° | 159.3° |
| O | C5 | N4 | C2 | 106.1° | 156.4° |
| O | C5 | N4 | C4 | 67.1° | 23.6° |
| C5 | O | C6 | H9 | 110.6° | 78.5° |
| O | C5 | C28 | H42 | 72.8° | 94.7° |
| N4 | C5 | O | C6 | 158.1° | 159.3° |
| C5 | N4 | C2 | C4 | 174.3° | 180.0° |
| C5 | N4 | C2 | C3 | 174.5° | 180.0° |
| C5 | N4 | C4 | N3 | 174.7° | 180.0° |
| C5 | N4 | C4 | H10 | 5.3° | 0.0° |
| N4 | C5 | C28 | H42 | 46.9° | 24.2° |
| N1 | C | C3 | C2 | 1.8° | 0.0° |
| N1 | C | C3 | N | 177.1° | 180.0° |
| N1 | C | C3 | N3 | 174.8° | 180.0° |
| C | N1 | C1 | H7 | 179.4° | 180.0° |
| N1 | C | N | H43 | 0.0° | 0.0° |
| N1 | C | N | H44 | 120.0° | 179.9° |
| O | C6 | C7 | H9 | 124.7° | 122.2° |
| O | C6 | C7 | N5 | 104.7° | 60.5° |
| O | C6 | C7 | H1 | 134.4° | 179.4° |
| O | C6 | C7 | H2 | 16.3° | 59.4° |
| C6 | O | C5 | H8 | 82.4° | 78.5° |
| O | C6 | C27 | H40 | 133.3° | 94.7° |
| C6 | C7 | N5 | C8 | 15.8° | 75.8° |
| C6 | C7 | N5 | H1 | 121.0° | 120.0° |
| C6 | C7 | N5 | H2 | 121.0° | 120.0° |
| C6 | C7 | N5 | C18 | 158.7° | 160.3° |
| C6 | C7 | H1 | H2 | 116.9° | 120.0° |
| C7 | C6 | C27 | H40 | 15.0° | 24.2° |
| N4 | C2 | C3 | C | 177.2° | 180.0° |
| N4 | C2 | C3 | N3 | 0.1° | 0.0° |
| C2 | N4 | C4 | N3 | 0.3° | 0.0° |
| C2 | N4 | C5 | H8 | 13.8° | 34.3° |
| C2 | N4 | C4 | H10 | 179.7° | 180.0° |
| C3 | C2 | N4 | C4 | 0.1° | 0.0° |
| C2 | C3 | C | N3 | 176.6° | 180.0° |
| C2 | C3 | C | N | 175.3° | 179.9° |
| C2 | C3 | N3 | C4 | 0.3° | 0.0° |
| C8 | N5 | C7 | C18 | 142.9° | 123.9° |
| C8 | N5 | C18 | C19 | 120.5° | 170.0° |
| C8 | N5 | C7 | H1 | 105.2° | 44.2° |
| C8 | N5 | C7 | H2 | 136.8° | 164.2° |
| N5 | C8 | H3 | H4 | 116.9° | 119.9° |
| N5 | C8 | C9 | H5 | 65.2° | 65.4° |
| N5 | C8 | C9 | H6 | 55.6° | 54.7° |
| C8 | N5 | C18 | H22 | 0.3° | 50.0° |
| C8 | N5 | C18 | H23 | 119.3° | 70.1° |
| N4 | C4 | N3 | C3 | 0.4° | 0.0° |
| N4 | C4 | N3 | H10 | 180.0° | 180.0° |
| C4 | N4 | C5 | H8 | 173.0° | 145.8° |
| C | C3 | N3 | C4 | 176.5° | 180.0° |
| C3 | C | N | H43 | 177.1° | 180.0° |
| C3 | C | N | H44 | 62.9° | 0.0° |
| N | C | C3 | N3 | 8.1° | 0.0° |
| C | N | H43 | H44 | 120.0° | 180.0° |
| C7 | N5 | C18 | C19 | 95.2° | 66.1° |
| N5 | C7 | H1 | H2 | 116.9° | 120.0° |
| C7 | N5 | C8 | H3 | 54.9° | 76.2° |
| C7 | N5 | C8 | H4 | 172.9° | 43.8° |
| N5 | C7 | C6 | H9 | 20.0° | 61.7° |
| C7 | N5 | C18 | H22 | 144.6° | 174.0° |
| C7 | N5 | C18 | H23 | 25.0° | 53.9° |
| C3 | N3 | C4 | H10 | 179.6° | 180.0° |
| N5 | C18 | C19 | H22 | 120.2° | 120.0° |
| N5 | C18 | C19 | H23 | 120.2° | 120.0° |
| N5 | C18 | C19 | C20 | 144.5° | 180.0° |
| C18 | N5 | C7 | H1 | 37.7° | 79.7° |
| C18 | N5 | C7 | H2 | 80.3° | 40.3° |
| C18 | N5 | C8 | H3 | 162.9° | 47.7° |
| C18 | N5 | C8 | H4 | 44.9° | 167.7° |
| N5 | C18 | H22 | H23 | 119.4° | 120.0° |
| N5 | C18 | C19 | H24 | 94.7° | 60.0° |
| N5 | C18 | C19 | H25 | 23.6° | 60.0° |
| C18 | C19 | C20 | H24 | 120.8° | 120.0° |
| C18 | C19 | C20 | H25 | 120.8° | 120.0° |
| C18 | C19 | C20 | N8 | 68.4° | 180.0° |
| C19 | C18 | H22 | H23 | 119.4° | 120.0° |
| C18 | C19 | H24 | H25 | 117.4° | 120.0° |
| C18 | C19 | C20 | H26 | 170.9° | 60.0° |
| C18 | C19 | C20 | H27 | 52.3° | 60.0° |
| C24 | C23 | C22 | H38 | 119.4° | 118.7° |
| C24 | C23 | C22 | H39 | 119.4° | 118.7° |
| C23 | C24 | C25 | H36 | 119.0° | 118.3° |
| C23 | C24 | C25 | H37 | 119.0° | 118.5° |
| C24 | C23 | C22 | N9 | 120.2° | 142.9° |
| C24 | C23 | C22 | C26 | 2.4° | 23.6° |
| C23 | C24 | C25 | C26 | 40.4° | 38.0° |
| C24 | C23 | C22 | H31 | 117.4° | 95.7° |
| C23 | C24 | C25 | H34 | 160.0° | 156.6° |
| C23 | C24 | C25 | H35 | 79.2° | 80.8° |
| C23 | C24 | H36 | H37 | 122.9° | 123.5° |
| C24 | C23 | H38 | H39 | 121.8° | 122.7° |
| C22 | C23 | C24 | C25 | 26.6° | 37.9° |
| C23 | C22 | N9 | C26 | 117.6° | 117.2° |
| C23 | C22 | N9 | H31 | 121.5° | 121.4° |
| C23 | C22 | C26 | H31 | 114.2° | 119.3° |
| C23 | C22 | N9 | C21 | 34.6° | 87.8° |
| C23 | C22 | C26 | C25 | 20.0° | 0.1° |
| C23 | C22 | N9 | H30 | 145.4° | 92.2° |
| C23 | C22 | C26 | H32 | 139.2° | 119.2° |
| C23 | C22 | C26 | H33 | 99.1° | 119.3° |
| C22 | C23 | C24 | H36 | 92.5° | 80.4° |
| C22 | C23 | C24 | H37 | 145.6° | 156.3° |
| C22 | C23 | H38 | H39 | 121.7° | 122.5° |
| C19 | C20 | N8 | C21 | 132.3° | 180.0° |
| C19 | C20 | N8 | H26 | 120.7° | 120.0° |
| C19 | C20 | N8 | H27 | 120.7° | 120.0° |
| C20 | C19 | C18 | H22 | 24.3° | 60.0° |
| C20 | C19 | C18 | H23 | 95.3° | 60.0° |
| C20 | C19 | H24 | H25 | 117.5° | 120.0° |
| C19 | C20 | H26 | H27 | 117.9° | 119.9° |
| C19 | C20 | N8 | H28 | 47.7° | 0.0° |
| C24 | C25 | C26 | C22 | 39.8° | 23.7° |
| C24 | C25 | C26 | H34 | 119.7° | 118.6° |
| C24 | C25 | C26 | H35 | 119.6° | 118.9° |
| C24 | C25 | C26 | H32 | 159.0° | 95.6° |
| C24 | C25 | C26 | H33 | 79.3° | 142.9° |
| C24 | C25 | H34 | H35 | 121.1° | 122.7° |
| C25 | C24 | H36 | H37 | 122.9° | 123.2° |
| C25 | C24 | C23 | H38 | 92.9° | 80.7° |
| C25 | C24 | C23 | H39 | 146.0° | 156.6° |
| N10 | C21 | N9 | C22 | 1.2° | 0.0° |
| N10 | C21 | N8 | N9 | 177.0° | 180.0° |
| N10 | C21 | N8 | C20 | 4.5° | 0.0° |
| N10 | C21 | N8 | H28 | 175.4° | 180.0° |
| N10 | C21 | N9 | H30 | 178.8° | 180.0° |
| N9 | C22 | C26 | H31 | 121.2° | 121.4° |
| C22 | N9 | C21 | N8 | 178.1° | 180.0° |
| C22 | N9 | C21 | H30 | 180.0° | 180.0° |
| N9 | C22 | C26 | C25 | 144.7° | 119.3° |
| N9 | C22 | C26 | H32 | 96.1° | 121.4° |
| N9 | C22 | C26 | H33 | 25.5° | 0.0° |
| N9 | C22 | C23 | H38 | 120.3° | 24.2° |
| N9 | C22 | C23 | H39 | 0.8° | 98.4° |
| C26 | C22 | N9 | C21 | 83.1° | 155.0° |
| C22 | C26 | C25 | H32 | 119.2° | 119.3° |
| C22 | C26 | C25 | H33 | 119.2° | 119.2° |
| C26 | C22 | N9 | H30 | 96.9° | 25.0° |
| C22 | C26 | H32 | H33 | 122.4° | 121.3° |
| C22 | C26 | C25 | H34 | 159.5° | 142.3° |
| C22 | C26 | C25 | H35 | 79.8° | 95.2° |
| C26 | C22 | C23 | H38 | 117.0° | 95.1° |
| C26 | C22 | C23 | H39 | 121.9° | 142.3° |
| C21 | N8 | C20 | H28 | 180.0° | 180.0° |
| C21 | N8 | C20 | H26 | 107.0° | 60.0° |
| C21 | N8 | C20 | H27 | 11.6° | 60.0° |
| N8 | C21 | N10 | H29 | 176.9° | 180.0° |
| N8 | C21 | N9 | H30 | 1.9° | 0.0° |
| N9 | C21 | N8 | C20 | 178.4° | 180.0° |
| N9 | C21 | N8 | H28 | 1.6° | 0.0° |
| N9 | C21 | N10 | H29 | 0.0° | 0.0° |
| C21 | N9 | C22 | H31 | 156.0° | 33.6° |
| N8 | C20 | C19 | H24 | 52.4° | 60.0° |
| N8 | C20 | C19 | H25 | 170.8° | 60.0° |
| N8 | C20 | H26 | H27 | 117.9° | 120.0° |
| C25 | C26 | C22 | H31 | 94.2° | 119.3° |
| C25 | C26 | H32 | H33 | 122.4° | 121.5° |
| C26 | C25 | H34 | H35 | 121.1° | 122.6° |
| C26 | C25 | C24 | H36 | 78.6° | 80.3° |
| C26 | C25 | C24 | H37 | 159.4° | 156.5° |
| H1 | C7 | C6 | H9 | 101.0° | 58.4° |
| H2 | C7 | C6 | H9 | 141.0° | 178.4° |
| H3 | C8 | C9 | H5 | 173.9° | 54.6° |
| H3 | C8 | C9 | H6 | 65.4° | 174.7° |
| H4 | C8 | C9 | H5 | 55.8° | 174.7° |
| H4 | C8 | C9 | H6 | 176.6° | 65.3° |
| H5 | C9 | N6 | H20 | 166.2° | 120.0° |
| H6 | C9 | N6 | H20 | 73.1° | 119.9° |
| H8 | C5 | C28 | H42 | 170.1° | 146.4° |
| H9 | C6 | C27 | H40 | 105.1° | 146.5° |
| H11 | O3 | C28 | H42 | 56.0° | 61.1° |
| H12 | N7 | C11 | H13 | 135.6° | 120.0° |
| H12 | N7 | C11 | H14 | 17.2° | 120.0° |
| H15 | C17 | C16 | H16 | 0.5° | 0.0° |
| H16 | C16 | C15 | H17 | 0.8° | 0.0° |
| H17 | C15 | C14 | H18 | 0.6° | 0.1° |
| H18 | C14 | C13 | H19 | 2.4° | 0.1° |
| H22 | C18 | C19 | H24 | 145.1° | 180.0° |
| H22 | C18 | C19 | H25 | 96.6° | 60.0° |
| H23 | C18 | C19 | H24 | 25.5° | 59.9° |
| H23 | C18 | C19 | H25 | 143.8° | 180.0° |
| H24 | C19 | C20 | H26 | 68.3° | 179.9° |
| H24 | C19 | C20 | H27 | 173.1° | 60.0° |
| H25 | C19 | C20 | H26 | 50.1° | 60.0° |
| H25 | C19 | C20 | H27 | 68.5° | 180.0° |
| H26 | C20 | N8 | H28 | 73.0° | 120.0° |
| H27 | C20 | N8 | H28 | 168.3° | 120.0° |
| H30 | N9 | C22 | H31 | 24.0° | 146.4° |
| H31 | C22 | C26 | H32 | 25.0° | 0.0° |
| H31 | C22 | C26 | H33 | 146.7° | 121.4° |
| H31 | C22 | C23 | H38 | 2.0° | 145.6° |
| H31 | C22 | C23 | H39 | 123.1° | 23.0° |
| H32 | C26 | C25 | H34 | 81.3° | 23.0° |
| H32 | C26 | C25 | H35 | 39.4° | 145.5° |
| H33 | C26 | C25 | H34 | 40.3° | 98.5° |
| H33 | C26 | C25 | H35 | 161.0° | 24.0° |
| H34 | C25 | C24 | H36 | 41.0° | 38.3° |
| H34 | C25 | C24 | H37 | 81.0° | 84.9° |
| H35 | C25 | C24 | H36 | 161.7° | 160.9° |
| H35 | C25 | C24 | H37 | 39.8° | 37.7° |
| H36 | C24 | C23 | H38 | 148.1° | 161.0° |
| H36 | C24 | C23 | H39 | 27.0° | 38.3° |
| H37 | C24 | C23 | H38 | 26.1° | 37.6° |
| H37 | C24 | C23 | H39 | 95.0° | 85.1° |
| H40 | C27 | O2 | H41 | 53.7° | 61.2° |
| H40 | C27 | C28 | H42 | 35.9° | 0.2° |
