LSK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N1 | sing | 1.35Å | 1.37Å | |
| C13 | N2 | sing | 1.35Å | 1.35Å | |
| N1 | C8 | sing | 1.40Å | 1.41Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| O6 | C21 | sing | 1.43Å | 1.42Å | |
| O5 | C20 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C7 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C28 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.52Å | |
| C4 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | N3 | sing | 1.46Å | 1.46Å | |
| C22 | N6 | sing | 1.46Å | 1.46Å | |
| C22 | O7 | sing | 1.44Å | 1.41Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | O7 | sing | 1.44Å | 1.44Å | |
| N4 | C18 | sing | 1.46Å | 1.45Å | |
| N4 | C17 | sing | 1.38Å | 1.34Å | |
| C3 | O1 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| N6 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C27 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C17 | N3 | sing | 1.38Å | 1.34Å | |
| C17 | N5 | doub | 1.30Å | 1.29Å | |
| C1 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.49Å | |
| O2 | C11 | sing | 1.35Å | 1.33Å | |
| O2 | C12 | sing | 1.45Å | 1.45Å | |
| C27 | N10 | doub | 1.33Å | 1.33Å | Aromatic |
| C27 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| N7 | C24 | sing | 1.35Å | 1.38Å | Aromatic |
| N10 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | O3 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C25 | N9 | sing | 1.33Å | 1.35Å | Aromatic |
| C25 | N8 | sing | 1.38Å | 1.34Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| N8 | H34 | sing | 0.97Å | 1.00Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å | |
| O6 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C13 | N1 | 124.0° | 120.0° |
| O4 | C13 | N2 | 122.9° | 120.1° |
| N1 | C13 | N2 | 112.9° | 119.9° |
| C13 | N1 | C8 | 125.3° | 120.0° |
| C13 | N1 | H28 | 117.4° | 120.0° |
| C13 | N2 | C14 | 122.3° | 119.9° |
| C13 | N2 | H29 | 118.9° | 120.0° |
| N1 | C8 | C9 | 128.7° | 119.7° |
| N1 | C8 | C7 | 111.5° | 119.7° |
| C8 | N1 | H28 | 117.3° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.9° |
| C9 | C8 | C7 | 119.6° | 120.7° |
| C8 | C9 | H27 | 119.6° | 119.6° |
| C9 | C10 | C5 | 120.9° | 119.9° |
| C9 | C10 | H13 | 119.6° | 120.1° |
| C10 | C9 | H27 | 119.6° | 119.6° |
| N2 | C14 | C15 | 113.1° | 109.4° |
| N2 | C14 | H8 | 108.6° | 109.5° |
| N2 | C14 | H9 | 108.6° | 109.5° |
| C14 | N2 | H29 | 118.8° | 120.0° |
| C14 | C15 | C16 | 114.8° | 109.5° |
| C15 | C14 | H8 | 108.6° | 109.4° |
| C15 | C14 | H9 | 108.6° | 109.4° |
| C14 | C15 | H10 | 108.1° | 109.5° |
| C14 | C15 | H11 | 108.1° | 109.5° |
| C8 | C7 | C4 | 121.6° | 119.6° |
| C8 | C7 | H26 | 119.2° | 120.2° |
| C10 | C5 | C4 | 118.7° | 119.6° |
| C10 | C5 | C6 | 122.6° | 120.9° |
| C5 | C10 | H13 | 119.6° | 120.1° |
| O6 | C21 | C20 | 111.1° | 110.5° |
| O6 | C21 | C22 | 109.5° | 110.5° |
| O6 | C21 | H5 | 112.5° | 110.6° |
| C21 | O6 | H36 | 109.5° | 114.0° |
| O5 | C20 | C21 | 111.4° | 110.5° |
| O5 | C20 | C19 | 111.5° | 110.5° |
| O5 | C20 | H1 | 111.0° | 110.6° |
| C20 | O5 | H35 | 109.5° | 114.0° |
| C15 | C16 | C28 | 114.4° | 109.5° |
| C15 | C16 | H6 | 108.2° | 109.5° |
| C15 | C16 | H7 | 108.2° | 109.5° |
| C16 | C15 | H10 | 108.1° | 109.5° |
| C16 | C15 | H11 | 108.1° | 109.4° |
| C7 | C4 | C5 | 118.4° | 119.4° |
| C7 | C4 | C3 | 123.2° | 120.9° |
| C4 | C7 | H26 | 119.2° | 120.2° |
| C16 | C28 | C29 | 115.5° | 109.5° |
| C28 | C16 | H6 | 108.2° | 109.5° |
| C28 | C16 | H7 | 108.2° | 109.4° |
| C16 | C28 | H22 | 107.9° | 109.5° |
| C16 | C28 | H23 | 108.0° | 109.4° |
| C4 | C5 | C6 | 118.7° | 119.5° |
| C5 | C4 | C3 | 118.4° | 119.6° |
| C5 | C6 | C1 | 121.1° | 119.5° |
| C5 | C6 | H14 | 119.5° | 120.2° |
| C21 | C20 | C19 | 103.8° | 104.0° |
| C20 | C21 | C22 | 101.4° | 104.1° |
| C21 | C20 | H1 | 109.4° | 110.5° |
| C20 | C21 | H5 | 110.8° | 110.5° |
| C20 | C19 | C18 | 116.6° | 110.4° |
| C20 | C19 | O7 | 106.5° | 104.8° |
| C19 | C20 | H1 | 109.4° | 110.5° |
| C20 | C19 | H2 | 107.6° | 110.4° |
| C21 | C22 | N6 | 115.1° | 110.4° |
| C21 | C22 | O7 | 105.0° | 104.8° |
| C22 | C21 | H5 | 111.0° | 110.5° |
| C21 | C22 | H19 | 108.7° | 110.4° |
| C4 | C3 | O1 | 116.1° | 120.0° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C6 | C1 | C2 | 120.4° | 120.6° |
| C6 | C1 | C11 | 121.8° | 119.6° |
| C1 | C6 | H14 | 119.4° | 120.3° |
| C28 | C29 | N3 | 112.9° | 109.4° |
| C29 | C28 | H22 | 108.0° | 109.5° |
| C29 | C28 | H23 | 107.9° | 109.5° |
| C28 | C29 | H24 | 108.6° | 109.5° |
| C28 | C29 | H25 | 108.6° | 109.4° |
| C29 | N3 | C17 | 124.1° | 120.0° |
| N3 | C29 | H24 | 108.6° | 109.5° |
| N3 | C29 | H25 | 108.6° | 109.5° |
| C29 | N3 | H30 | 117.9° | 120.0° |
| N6 | C22 | O7 | 108.1° | 110.3° |
| C22 | N6 | C23 | 126.7° | 126.3° |
| C22 | N6 | C27 | 127.3° | 126.3° |
| N6 | C22 | H19 | 109.6° | 110.3° |
| C22 | O7 | C19 | 109.0° | 105.2° |
| O7 | C22 | H19 | 110.3° | 110.5° |
| C18 | C19 | O7 | 109.4° | 110.3° |
| C19 | C18 | N4 | 112.8° | 109.5° |
| C18 | C19 | H2 | 107.8° | 110.3° |
| C19 | C18 | H3 | 108.6° | 109.4° |
| C19 | C18 | H4 | 108.6° | 109.4° |
| O7 | C19 | H2 | 108.7° | 110.5° |
| C18 | N4 | C17 | 124.4° | 120.0° |
| N4 | C18 | H3 | 108.6° | 109.5° |
| N4 | C18 | H4 | 108.6° | 109.6° |
| C18 | N4 | H31 | 117.8° | 120.0° |
| N4 | C17 | N3 | 118.9° | 120.0° |
| N4 | C17 | N5 | 125.3° | 120.0° |
| C17 | N4 | H31 | 117.8° | 120.0° |
| O1 | C3 | C2 | 122.8° | 120.0° |
| C3 | O1 | H15 | 109.5° | 113.9° |
| C3 | C2 | C1 | 120.3° | 120.7° |
| C3 | C2 | H12 | 119.8° | 119.7° |
| C23 | N6 | C27 | 105.7° | 107.5° |
| N6 | C23 | N7 | 114.1° | 109.9° |
| N6 | C23 | H20 | 122.9° | 125.0° |
| N6 | C27 | N10 | 127.6° | 134.9° |
| N6 | C27 | C24 | 105.5° | 106.0° |
| C23 | N7 | C24 | 103.6° | 109.4° |
| N7 | C23 | H20 | 122.9° | 125.0° |
| N3 | C17 | N5 | 115.8° | 120.0° |
| C17 | N3 | H30 | 117.9° | 120.0° |
| C17 | N5 | H32 | 112.0° | 120.1° |
| C2 | C1 | C11 | 117.8° | 119.8° |
| C1 | C2 | H12 | 119.8° | 119.6° |
| C1 | C11 | O2 | 112.5° | 120.0° |
| C1 | C11 | O3 | 124.3° | 120.1° |
| C11 | O2 | C12 | 115.9° | 117.0° |
| O2 | C11 | O3 | 123.2° | 119.9° |
| O2 | C12 | H16 | 109.5° | 109.5° |
| O2 | C12 | H17 | 109.5° | 109.5° |
| O2 | C12 | H18 | 109.5° | 109.5° |
| N10 | C27 | C24 | 127.0° | 119.1° |
| C27 | N10 | C26 | 111.1° | 120.6° |
| C27 | C24 | N7 | 111.0° | 107.2° |
| C27 | C24 | C25 | 116.6° | 118.2° |
| N7 | C24 | C25 | 132.4° | 134.7° |
| N10 | C26 | N9 | 128.8° | 122.5° |
| N10 | C26 | H21 | 115.6° | 118.7° |
| C24 | C25 | N9 | 117.6° | 118.5° |
| C24 | C25 | N8 | 123.8° | 120.8° |
| C26 | N9 | C25 | 118.9° | 121.2° |
| N9 | C26 | H21 | 115.6° | 118.8° |
| N9 | C25 | N8 | 118.5° | 120.8° |
| C25 | N8 | H33 | 109.5° | 120.0° |
| C25 | N8 | H34 | 109.5° | 120.0° |
| H3 | C18 | H4 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.4° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.4° | 109.4° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H33 | N8 | H34 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C13 | N1 | N2 | 174.4° | 180.0° |
| O4 | C13 | N1 | C8 | 65.5° | 4.5° |
| O4 | C13 | N2 | C14 | 16.6° | 0.0° |
| O4 | C13 | N1 | H28 | 114.4° | 175.4° |
| O4 | C13 | N2 | H29 | 163.4° | 180.0° |
| C13 | N1 | C8 | H28 | 180.0° | 179.9° |
| C13 | N1 | C8 | C9 | 121.4° | 35.1° |
| N1 | C13 | N2 | C14 | 157.9° | 180.0° |
| C13 | N1 | C8 | C7 | 64.6° | 144.8° |
| N1 | C13 | N2 | H29 | 22.1° | 0.0° |
| N2 | C13 | N1 | C8 | 108.9° | 175.5° |
| C13 | N2 | C14 | H29 | 180.0° | 180.0° |
| C13 | N2 | C14 | C15 | 108.7° | 180.0° |
| C13 | N2 | C14 | H8 | 130.7° | 60.0° |
| C13 | N2 | C14 | H9 | 11.8° | 60.1° |
| N2 | C13 | N1 | H28 | 71.1° | 4.6° |
| N1 | C8 | C9 | C7 | 173.6° | 179.9° |
| N1 | C8 | C9 | C10 | 171.5° | 179.7° |
| N1 | C8 | C7 | C4 | 172.1° | 180.0° |
| N1 | C8 | C7 | H26 | 7.9° | 0.1° |
| N1 | C8 | C9 | H27 | 8.5° | 0.1° |
| C8 | C9 | C10 | H27 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 0.0° | 0.2° |
| C9 | C8 | C7 | C4 | 2.5° | 0.1° |
| C8 | C9 | C10 | H13 | 180.0° | 179.8° |
| C9 | C8 | C7 | H26 | 177.4° | 180.0° |
| C9 | C8 | N1 | H28 | 58.6° | 144.8° |
| C10 | C9 | C8 | C7 | 2.1° | 0.2° |
| C9 | C10 | C5 | H13 | 180.0° | 180.0° |
| C9 | C10 | C5 | C4 | 1.5° | 0.0° |
| C9 | C10 | C5 | C6 | 176.4° | 180.0° |
| N2 | C14 | C15 | H8 | 120.5° | 120.0° |
| N2 | C14 | C15 | H9 | 120.5° | 120.0° |
| N2 | C14 | C15 | C16 | 165.6° | 180.0° |
| N2 | C14 | H8 | H9 | 118.4° | 120.1° |
| N2 | C14 | C15 | H10 | 73.6° | 60.0° |
| N2 | C14 | C15 | H11 | 44.8° | 60.0° |
| C14 | C15 | C16 | H10 | 120.8° | 120.1° |
| C14 | C15 | C16 | H11 | 120.8° | 120.0° |
| C14 | C15 | C16 | C28 | 128.0° | 180.0° |
| C14 | C15 | C16 | H6 | 7.2° | 60.0° |
| C14 | C15 | C16 | H7 | 111.3° | 60.0° |
| C15 | C14 | H8 | H9 | 118.4° | 120.0° |
| C14 | C15 | H10 | H11 | 117.6° | 120.0° |
| C15 | C14 | N2 | H29 | 71.3° | 0.0° |
| C8 | C7 | C4 | H26 | 180.0° | 179.9° |
| C8 | C7 | C4 | C5 | 0.9° | 0.3° |
| C8 | C7 | C4 | C3 | 176.9° | 180.0° |
| C7 | C8 | C9 | H27 | 177.9° | 180.0° |
| C7 | C8 | N1 | H28 | 115.4° | 35.3° |
| C10 | C5 | C4 | C7 | 1.1° | 0.2° |
| C10 | C5 | C4 | C6 | 178.0° | 180.0° |
| C10 | C5 | C4 | C3 | 179.1° | 180.0° |
| C10 | C5 | C6 | C1 | 177.6° | 179.9° |
| C10 | C5 | C6 | H14 | 2.4° | 0.1° |
| C5 | C10 | C9 | H27 | 180.0° | 180.0° |
| O6 | C21 | C20 | O5 | 24.9° | 0.0° |
| O6 | C21 | C20 | C22 | 116.3° | 118.6° |
| O6 | C21 | C20 | H5 | 125.9° | 122.7° |
| O6 | C21 | C20 | C19 | 145.0° | 118.6° |
| O6 | C21 | C22 | H5 | 124.8° | 122.8° |
| O6 | C21 | C22 | N6 | 85.7° | 98.6° |
| O6 | C21 | C22 | O7 | 155.5° | 142.6° |
| O6 | C21 | C20 | H1 | 98.2° | 122.7° |
| O6 | C21 | C22 | H19 | 37.6° | 23.7° |
| O5 | C20 | C21 | C19 | 120.1° | 118.6° |
| O5 | C20 | C21 | H1 | 123.1° | 122.7° |
| O5 | C20 | C19 | H1 | 123.3° | 122.7° |
| O5 | C20 | C21 | C22 | 91.4° | 118.6° |
| O5 | C20 | C19 | C18 | 128.2° | 98.6° |
| O5 | C20 | C19 | O7 | 109.4° | 142.6° |
| O5 | C20 | C19 | H2 | 7.0° | 23.7° |
| O5 | C20 | C21 | H5 | 150.8° | 122.7° |
| C15 | C16 | C28 | H6 | 120.8° | 120.0° |
| C15 | C16 | C28 | H7 | 120.7° | 120.0° |
| C15 | C16 | C28 | C29 | 160.1° | 180.0° |
| C15 | C16 | H6 | H7 | 117.7° | 120.0° |
| C16 | C15 | C14 | H8 | 45.0° | 60.0° |
| C16 | C15 | C14 | H9 | 73.9° | 60.0° |
| C16 | C15 | H10 | H11 | 117.6° | 120.0° |
| C15 | C16 | C28 | H22 | 79.0° | 60.0° |
| C15 | C16 | C28 | H23 | 39.3° | 60.0° |
| C7 | C4 | C5 | C3 | 178.0° | 179.8° |
| C7 | C4 | C5 | C6 | 177.0° | 179.8° |
| C7 | C4 | C3 | O1 | 3.3° | 0.2° |
| C7 | C4 | C3 | C2 | 176.8° | 179.7° |
| C16 | C28 | C29 | H22 | 120.9° | 120.1° |
| C16 | C28 | C29 | H23 | 120.9° | 119.9° |
| C16 | C28 | C29 | N3 | 164.0° | 180.0° |
| C28 | C16 | H6 | H7 | 117.7° | 119.9° |
| C28 | C16 | C15 | H10 | 111.2° | 60.0° |
| C28 | C16 | C15 | H11 | 7.2° | 60.0° |
| C16 | C28 | H22 | H23 | 117.3° | 119.9° |
| C16 | C28 | C29 | H24 | 43.5° | 60.0° |
| C16 | C28 | C29 | H25 | 75.5° | 60.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.1° |
| C5 | C4 | C3 | O1 | 178.8° | 179.9° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C4 | C5 | C10 | H13 | 178.4° | 180.0° |
| C4 | C5 | C6 | H14 | 179.6° | 179.9° |
| C5 | C4 | C7 | H26 | 179.0° | 179.8° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C6 | C1 | H14 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.7° | 0.1° |
| C5 | C6 | C1 | C11 | 175.6° | 180.0° |
| C6 | C5 | C10 | H13 | 3.6° | 0.0° |
| C21 | C20 | C19 | H1 | 116.7° | 118.6° |
| C20 | C21 | C22 | H5 | 117.7° | 118.6° |
| C20 | C21 | C22 | N6 | 156.8° | 142.8° |
| C20 | C21 | C22 | O7 | 38.1° | 24.0° |
| C21 | C20 | C19 | C18 | 111.8° | 142.8° |
| C21 | C20 | C19 | O7 | 10.7° | 24.0° |
| C21 | C20 | C19 | H2 | 127.1° | 95.0° |
| C20 | C21 | C22 | H19 | 79.9° | 94.9° |
| C21 | C20 | O5 | H35 | 180.0° | 61.5° |
| C20 | C21 | O6 | H36 | 180.0° | 61.5° |
| C19 | C20 | C21 | C22 | 28.8° | 0.0° |
| C20 | C19 | O7 | C22 | 13.8° | 40.5° |
| C20 | C19 | C18 | O7 | 120.9° | 115.4° |
| C20 | C19 | C18 | H2 | 121.0° | 122.3° |
| C20 | C19 | O7 | H2 | 115.7° | 118.9° |
| C20 | C19 | C18 | N4 | 55.1° | 175.0° |
| C20 | C19 | C18 | H3 | 175.6° | 55.0° |
| C20 | C19 | C18 | H4 | 65.4° | 65.0° |
| C19 | C20 | C21 | H5 | 89.1° | 118.6° |
| C19 | C20 | O5 | H35 | 64.6° | 176.1° |
| C21 | C22 | N6 | O7 | 117.0° | 115.4° |
| C21 | C22 | N6 | H19 | 122.8° | 122.3° |
| C21 | C22 | O7 | H19 | 116.9° | 118.9° |
| C21 | C22 | O7 | C19 | 33.0° | 40.5° |
| C21 | C22 | N6 | C23 | 45.2° | 94.9° |
| C21 | C22 | N6 | C27 | 142.2° | 84.9° |
| C22 | C21 | C20 | H1 | 145.5° | 118.7° |
| C22 | C21 | O6 | H36 | 68.8° | 176.1° |
| C4 | C3 | O1 | C2 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H12 | 179.8° | 180.0° |
| C4 | C3 | O1 | H15 | 180.0° | 90.0° |
| C3 | C4 | C7 | H26 | 3.1° | 0.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.0° |
| C6 | C1 | C2 | C11 | 177.3° | 179.9° |
| C6 | C1 | C11 | O2 | 2.2° | 180.0° |
| C6 | C1 | C11 | O3 | 177.0° | 0.0° |
| C6 | C1 | C2 | H12 | 178.4° | 180.0° |
| C28 | C29 | N3 | H24 | 120.5° | 120.0° |
| C28 | C29 | N3 | H25 | 120.5° | 119.9° |
| C28 | C29 | N3 | C17 | 84.9° | 180.0° |
| C29 | C28 | C16 | H6 | 39.4° | 59.9° |
| C29 | C28 | C16 | H7 | 79.2° | 60.0° |
| C29 | C28 | H22 | H23 | 117.3° | 120.0° |
| C28 | C29 | H24 | H25 | 118.4° | 120.0° |
| C28 | C29 | N3 | H30 | 95.1° | 0.1° |
| C29 | N3 | C17 | N4 | 50.5° | 179.9° |
| C29 | N3 | C17 | H30 | 180.0° | 179.9° |
| C29 | N3 | C17 | N5 | 129.8° | 0.0° |
| N3 | C29 | C28 | H22 | 75.1° | 60.0° |
| N3 | C29 | C28 | H23 | 43.2° | 60.1° |
| N3 | C29 | H24 | H25 | 118.4° | 120.1° |
| N6 | C22 | O7 | H19 | 119.8° | 122.3° |
| N6 | C22 | O7 | C19 | 156.3° | 159.4° |
| C22 | N6 | C23 | C27 | 173.9° | 179.9° |
| C22 | N6 | C23 | N7 | 172.1° | 179.9° |
| C22 | N6 | C27 | N10 | 7.3° | 0.2° |
| C22 | N6 | C27 | C24 | 172.0° | 179.9° |
| N6 | C22 | C21 | H5 | 39.1° | 24.2° |
| C22 | N6 | C23 | H20 | 7.9° | 0.0° |
| C22 | O7 | C19 | C18 | 140.7° | 159.4° |
| O7 | C22 | N6 | C23 | 71.8° | 20.5° |
| O7 | C22 | N6 | C27 | 100.9° | 159.7° |
| C22 | O7 | C19 | H2 | 101.9° | 78.4° |
| O7 | C22 | C21 | H5 | 79.6° | 94.6° |
| C18 | C19 | O7 | H2 | 117.4° | 122.3° |
| C19 | C18 | N4 | H3 | 120.5° | 119.9° |
| C19 | C18 | N4 | H4 | 120.5° | 120.0° |
| C19 | C18 | N4 | C17 | 172.2° | 179.9° |
| C18 | C19 | C20 | H1 | 4.9° | 24.2° |
| C19 | C18 | H3 | H4 | 118.4° | 119.9° |
| C19 | C18 | N4 | H31 | 7.8° | 0.0° |
| O7 | C19 | C18 | N4 | 65.9° | 69.6° |
| O7 | C19 | C20 | H1 | 127.4° | 94.6° |
| O7 | C19 | C18 | H3 | 54.6° | 170.4° |
| O7 | C19 | C18 | H4 | 173.6° | 50.4° |
| C19 | O7 | C22 | H19 | 83.9° | 78.4° |
| C18 | N4 | C17 | H31 | 180.0° | 179.9° |
| C18 | N4 | C17 | N3 | 160.2° | 180.0° |
| C18 | N4 | C17 | N5 | 19.5° | 0.0° |
| N4 | C18 | C19 | H2 | 176.1° | 52.7° |
| N4 | C18 | H3 | H4 | 118.5° | 120.1° |
| N4 | C17 | N3 | N5 | 179.7° | 180.0° |
| C17 | N4 | C18 | H3 | 51.7° | 60.0° |
| C17 | N4 | C18 | H4 | 67.3° | 60.0° |
| N4 | C17 | N3 | H30 | 129.5° | 0.0° |
| N4 | C17 | N5 | H32 | 179.7° | 180.0° |
| O1 | C3 | C2 | C1 | 179.9° | 179.9° |
| O1 | C3 | C2 | H12 | 0.1° | 0.0° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | C11 | 175.8° | 180.0° |
| C2 | C3 | O1 | H15 | 0.1° | 90.0° |
| N6 | C23 | N7 | H20 | 180.0° | 179.9° |
| C23 | N6 | C27 | N10 | 178.8° | 179.9° |
| C23 | N6 | C27 | C24 | 1.9° | 0.1° |
| N6 | C23 | N7 | C24 | 0.9° | 0.0° |
| C23 | N6 | C22 | H19 | 168.0° | 142.8° |
| C27 | N6 | C23 | N7 | 1.8° | 0.0° |
| N6 | C27 | N10 | C24 | 179.2° | 179.8° |
| N6 | C27 | C24 | N7 | 1.5° | 0.1° |
| N6 | C27 | N10 | C26 | 177.9° | 179.9° |
| N6 | C27 | C24 | C25 | 177.8° | 179.9° |
| C27 | N6 | C22 | H19 | 19.3° | 37.4° |
| C27 | N6 | C23 | H20 | 178.2° | 179.9° |
| C23 | N7 | C24 | C27 | 0.4° | 0.1° |
| C23 | N7 | C24 | C25 | 178.7° | 180.0° |
| C17 | N3 | C29 | H24 | 35.6° | 60.0° |
| C17 | N3 | C29 | H25 | 154.6° | 60.1° |
| N3 | C17 | N4 | H31 | 19.8° | 0.1° |
| N3 | C17 | N5 | H32 | 0.0° | 0.0° |
| N5 | C17 | N3 | H30 | 50.2° | 180.0° |
| N5 | C17 | N4 | H31 | 160.5° | 180.0° |
| C2 | C1 | C11 | O2 | 179.5° | 0.1° |
| C2 | C1 | C11 | O3 | 0.3° | 179.9° |
| C2 | C1 | C6 | H14 | 178.3° | 179.9° |
| C1 | C11 | O2 | O3 | 179.2° | 180.0° |
| C1 | C11 | O2 | C12 | 175.1° | 180.0° |
| C11 | C1 | C2 | H12 | 4.3° | 0.1° |
| C11 | C1 | C6 | H14 | 4.5° | 0.0° |
| C11 | O2 | C12 | H16 | 180.0° | 180.0° |
| C11 | O2 | C12 | H17 | 60.0° | 60.0° |
| C11 | O2 | C12 | H18 | 60.0° | 60.0° |
| C12 | O2 | C11 | O3 | 4.1° | 0.0° |
| O2 | C12 | H16 | H17 | 120.0° | 120.0° |
| O2 | C12 | H16 | H18 | 120.0° | 120.0° |
| O2 | C12 | H17 | H18 | 120.0° | 120.0° |
| N10 | C27 | C24 | N7 | 179.2° | 180.0° |
| N10 | C27 | C24 | C25 | 1.5° | 0.1° |
| C27 | N10 | C26 | N9 | 0.1° | 0.1° |
| C27 | N10 | C26 | H21 | 179.9° | 180.0° |
| C27 | C24 | N7 | C25 | 179.1° | 179.9° |
| C24 | C27 | N10 | C26 | 1.3° | 0.1° |
| C27 | C24 | C25 | N9 | 0.5° | 0.0° |
| C27 | C24 | C25 | N8 | 179.2° | 179.9° |
| N7 | C24 | C25 | N9 | 179.6° | 180.0° |
| N7 | C24 | C25 | N8 | 0.1° | 0.0° |
| C24 | N7 | C23 | H20 | 179.1° | 180.0° |
| N10 | C26 | N9 | H21 | 180.0° | 179.9° |
| N10 | C26 | N9 | C25 | 0.7° | 0.1° |
| C24 | C25 | N9 | C26 | 0.4° | 0.0° |
| C24 | C25 | N9 | N8 | 179.7° | 180.0° |
| C24 | C25 | N8 | H33 | 179.7° | 0.0° |
| C24 | C25 | N8 | H34 | 59.7° | 180.0° |
| C26 | N9 | C25 | N8 | 179.8° | 179.9° |
| C25 | N9 | C26 | H21 | 179.3° | 180.0° |
| N9 | C25 | N8 | H33 | 0.0° | 180.0° |
| N9 | C25 | N8 | H34 | 120.0° | 0.0° |
| C25 | N8 | H33 | H34 | 120.0° | 180.0° |
| H1 | C20 | C19 | H2 | 116.2° | 146.4° |
| H1 | C20 | C21 | H5 | 27.6° | 0.0° |
| H1 | C20 | O5 | H35 | 57.8° | 61.2° |
| H2 | C19 | C18 | H3 | 63.4° | 67.3° |
| H2 | C19 | C18 | H4 | 55.6° | 172.8° |
| H3 | C18 | N4 | H31 | 128.3° | 119.9° |
| H4 | C18 | N4 | H31 | 112.7° | 120.0° |
| H5 | C21 | C22 | H19 | 162.4° | 146.4° |
| H5 | C21 | O6 | H36 | 55.1° | 61.2° |
| H6 | C16 | C15 | H10 | 128.0° | 60.1° |
| H6 | C16 | C15 | H11 | 113.6° | 180.0° |
| H6 | C16 | C28 | H22 | 160.3° | 180.0° |
| H6 | C16 | C28 | H23 | 81.5° | 60.0° |
| H7 | C16 | C15 | H10 | 9.5° | 180.0° |
| H7 | C16 | C15 | H11 | 127.9° | 60.0° |
| H7 | C16 | C28 | H22 | 41.7° | 60.1° |
| H7 | C16 | C28 | H23 | 160.0° | 179.9° |
| H8 | C14 | C15 | H10 | 165.8° | 180.0° |
| H8 | C14 | C15 | H11 | 75.8° | 60.0° |
| H8 | C14 | N2 | H29 | 49.3° | 120.0° |
| H9 | C14 | C15 | H10 | 46.9° | 60.0° |
| H9 | C14 | C15 | H11 | 165.3° | 180.0° |
| H9 | C14 | N2 | H29 | 168.2° | 119.9° |
| H13 | C10 | C9 | H27 | 0.0° | 0.0° |
| H16 | C12 | H17 | H18 | 120.0° | 120.0° |
| H22 | C28 | C29 | H24 | 164.4° | 180.0° |
| H22 | C28 | C29 | H25 | 45.4° | 60.0° |
| H23 | C28 | C29 | H24 | 77.3° | 59.9° |
| H23 | C28 | C29 | H25 | 163.7° | 180.0° |
| H24 | C29 | N3 | H30 | 144.4° | 119.9° |
| H25 | C29 | N3 | H30 | 25.4° | 120.0° |
