JRK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C8 | sing | 1.51Å | 1.51Å | |
| C22 | C20 | sing | 1.54Å | 1.53Å | |
| C11 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.54Å | |
| C20 | C7 | sing | 1.50Å | 1.54Å | |
| C20 | C19 | sing | 1.52Å | 1.54Å | |
| C7 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.50Å | 1.52Å | |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | N3 | sing | 1.41Å | 1.43Å | |
| C6 | N4 | sing | 1.40Å | 1.38Å | |
| C18 | N3 | sing | 1.49Å | 1.49Å | |
| C18 | C24 | sing | 1.51Å | 1.52Å | |
| N3 | C3 | sing | 1.48Å | 1.46Å | |
| O3 | C14 | sing | 1.43Å | 1.42Å | |
| N4 | C13 | sing | 1.46Å | 1.48Å | |
| N4 | C4 | sing | 1.35Å | 1.44Å | |
| O11 | C26 | doub | 1.22Å | 1.23Å | |
| C24 | C26 | sing | 1.47Å | 1.36Å | |
| C24 | C23 | doub | 1.36Å | 1.35Å | |
| C26 | O10 | sing | 1.35Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C3 | C23 | sing | 1.52Å | 1.53Å | |
| C3 | C4 | sing | 1.49Å | 1.53Å | |
| C3 | C2 | sing | 1.50Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.51Å | 1.50Å | |
| C4 | N2 | doub | 1.31Å | 1.46Å | |
| O2 | C2 | doub | 1.21Å | 1.21Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O4 | sing | 1.43Å | 1.43Å | |
| C16 | O5 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| O6 | C17 | sing | 1.43Å | 1.45Å | |
| O6 | P1 | sing | 1.61Å | 1.61Å | |
| N2 | C1 | sing | 1.34Å | 1.29Å | |
| N1 | C1 | sing | 1.34Å | 1.36Å | |
| O9 | P1 | doub | 1.48Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| P1 | O7 | sing | 1.61Å | 1.54Å | |
| P1 | O8 | sing | 1.61Å | 1.52Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O5 | H18 | sing | 0.97Å | 0.95Å | |
| O7 | H19 | sing | 0.97Å | 0.95Å | |
| O8 | H20 | sing | 0.97Å | 0.95Å | |
| C18 | H21 | sing | 1.10Å | 1.10Å | |
| C19 | H22 | sing | 1.10Å | 1.10Å | |
| C19 | H23 | sing | 1.10Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| O10 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C8 | C9 | 116.5° | 113.8° |
| C12 | C8 | C7 | 123.4° | 124.8° |
| C8 | C12 | H6 | 109.5° | 109.5° |
| C8 | C12 | H7 | 109.4° | 109.5° |
| C8 | C12 | H8 | 109.5° | 109.5° |
| C22 | C20 | C21 | 108.4° | 108.7° |
| C22 | C20 | C7 | 115.8° | 111.5° |
| C22 | C20 | C19 | 106.0° | 106.5° |
| C20 | C22 | H27 | 109.5° | 109.4° |
| C20 | C22 | H28 | 109.5° | 109.4° |
| C20 | C22 | H29 | 109.5° | 109.5° |
| C11 | C9 | C8 | 121.2° | 119.4° |
| C11 | C9 | C10 | 119.1° | 120.5° |
| C9 | C11 | H3 | 109.5° | 109.5° |
| C9 | C11 | H4 | 109.5° | 109.5° |
| C9 | C11 | H5 | 109.5° | 109.5° |
| C9 | C8 | C7 | 120.1° | 121.3° |
| C8 | C9 | C10 | 119.7° | 120.0° |
| C8 | C7 | C20 | 126.3° | 119.8° |
| C8 | C7 | C5 | 119.4° | 119.0° |
| C9 | C10 | C6 | 121.8° | 119.2° |
| C9 | C10 | H1 | 119.1° | 119.1° |
| C21 | C20 | C7 | 109.0° | 109.8° |
| C21 | C20 | C19 | 109.0° | 106.4° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.4° | 109.4° |
| C7 | C20 | C19 | 108.6° | 113.7° |
| C20 | C7 | C5 | 114.3° | 121.2° |
| C20 | C19 | C18 | 111.4° | 115.2° |
| C20 | C19 | H22 | 109.0° | 108.5° |
| C20 | C19 | H23 | 109.0° | 108.0° |
| C7 | C5 | C6 | 119.4° | 118.8° |
| C7 | C5 | N3 | 119.0° | 122.7° |
| C10 | C6 | C5 | 119.5° | 121.5° |
| C10 | C6 | N4 | 120.9° | 117.8° |
| C6 | C10 | H1 | 119.1° | 121.7° |
| C19 | C18 | N3 | 112.5° | 112.2° |
| C19 | C18 | C24 | 115.7° | 117.9° |
| C19 | C18 | H21 | 107.8° | 106.3° |
| C18 | C19 | H22 | 109.0° | 109.6° |
| C18 | C19 | H23 | 109.0° | 108.8° |
| C6 | C5 | N3 | 121.5° | 118.4° |
| C5 | C6 | N4 | 119.5° | 120.7° |
| C5 | N3 | C18 | 120.7° | 109.7° |
| C5 | N3 | C3 | 120.4° | 110.5° |
| C6 | N4 | C13 | 122.4° | 122.2° |
| C6 | N4 | C4 | 122.5° | 117.6° |
| N3 | C18 | C24 | 104.6° | 103.3° |
| C18 | N3 | C3 | 103.5° | 97.5° |
| N3 | C18 | H21 | 108.2° | 109.1° |
| C18 | C24 | C26 | 121.2° | 127.9° |
| C18 | C24 | C23 | 107.9° | 106.7° |
| C24 | C18 | H21 | 107.8° | 107.8° |
| N3 | C3 | C23 | 102.5° | 102.5° |
| N3 | C3 | C4 | 114.7° | 111.4° |
| N3 | C3 | C2 | 113.8° | 112.5° |
| O3 | C14 | C13 | 109.7° | 109.5° |
| O3 | C14 | C15 | 108.3° | 109.5° |
| O3 | C14 | H11 | 111.0° | 109.4° |
| C14 | O3 | H13 | 109.5° | 114.0° |
| C13 | N4 | C4 | 114.9° | 120.2° |
| N4 | C13 | C14 | 114.0° | 109.5° |
| N4 | C13 | H9 | 108.3° | 109.5° |
| N4 | C13 | H10 | 108.3° | 109.5° |
| N4 | C4 | C3 | 118.3° | 119.5° |
| N4 | C4 | N2 | 119.9° | 118.6° |
| O11 | C26 | C24 | 115.8° | 120.0° |
| O11 | C26 | O10 | 125.6° | 120.0° |
| C26 | C24 | C23 | 130.9° | 125.3° |
| C24 | C26 | O10 | 118.5° | 120.0° |
| C24 | C23 | C3 | 108.2° | 107.0° |
| C24 | C23 | C25 | 130.4° | 126.2° |
| C26 | O10 | H33 | 109.5° | 117.0° |
| C13 | C14 | C15 | 109.1° | 109.5° |
| C14 | C13 | H9 | 108.3° | 109.5° |
| C14 | C13 | H10 | 108.3° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.4° |
| C23 | C3 | C4 | 112.8° | 113.4° |
| C23 | C3 | C2 | 107.1° | 108.0° |
| C3 | C23 | C25 | 121.3° | 126.7° |
| C4 | C3 | C2 | 105.8° | 109.0° |
| C3 | C4 | N2 | 121.2° | 122.0° |
| C3 | C2 | O2 | 120.5° | 122.6° |
| C3 | C2 | N1 | 117.9° | 119.8° |
| C14 | C15 | C16 | 115.2° | 109.4° |
| C14 | C15 | O4 | 108.8° | 109.5° |
| C15 | C14 | H11 | 109.4° | 109.5° |
| C14 | C15 | H12 | 107.0° | 109.4° |
| C23 | C25 | H30 | 109.5° | 109.4° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.4° | 109.4° |
| C4 | N2 | C1 | 117.1° | 121.2° |
| O2 | C2 | N1 | 121.6° | 117.5° |
| C16 | C15 | O4 | 110.3° | 109.5° |
| C15 | C16 | O5 | 109.7° | 109.5° |
| C15 | C16 | C17 | 113.4° | 109.4° |
| C16 | C15 | H12 | 107.0° | 109.5° |
| C15 | C16 | H14 | 107.6° | 109.5° |
| O4 | C15 | H12 | 108.3° | 109.5° |
| C15 | O4 | H15 | 109.5° | 114.0° |
| O5 | C16 | C17 | 109.5° | 109.4° |
| O5 | C16 | H14 | 108.8° | 109.5° |
| C16 | O5 | H18 | 109.5° | 114.1° |
| C16 | C17 | O6 | 107.9° | 109.4° |
| C17 | C16 | H14 | 107.8° | 109.5° |
| C16 | C17 | H16 | 109.8° | 109.5° |
| C16 | C17 | H17 | 109.9° | 109.5° |
| C2 | N1 | C1 | 122.1° | 121.0° |
| C2 | N1 | H2 | 118.9° | 119.2° |
| C17 | O6 | P1 | 118.7° | 123.0° |
| O6 | C17 | H16 | 109.9° | 109.4° |
| O6 | C17 | H17 | 109.9° | 109.4° |
| O6 | P1 | O9 | 102.9° | 109.5° |
| O6 | P1 | O7 | 106.2° | 109.5° |
| O6 | P1 | O8 | 107.1° | 109.5° |
| N2 | C1 | N1 | 120.1° | 120.6° |
| N2 | C1 | O1 | 118.8° | 119.7° |
| N1 | C1 | O1 | 121.0° | 119.7° |
| C1 | N1 | H2 | 118.9° | 119.8° |
| O9 | P1 | O7 | 112.7° | 109.5° |
| O9 | P1 | O8 | 113.2° | 109.5° |
| O7 | P1 | O8 | 113.7° | 109.5° |
| P1 | O7 | H19 | 109.5° | 114.0° |
| P1 | O8 | H20 | 109.5° | 114.0° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H3 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H6 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 106.3° |
| H24 | C21 | H25 | 109.4° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H29 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.4° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H30 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C8 | C9 | C11 | 1.1° | 3.8° |
| C12 | C8 | C9 | C7 | 178.8° | 178.1° |
| C12 | C8 | C9 | C10 | 178.2° | 176.0° |
| C12 | C8 | C7 | C20 | 1.7° | 6.7° |
| C12 | C8 | C7 | C5 | 178.2° | 173.9° |
| C8 | C12 | H6 | H7 | 120.0° | 120.0° |
| C8 | C12 | H6 | H8 | 120.0° | 120.0° |
| C8 | C12 | H7 | H8 | 120.0° | 120.0° |
| C22 | C20 | C7 | C8 | 14.0° | 53.6° |
| C22 | C20 | C21 | C7 | 126.8° | 122.2° |
| C22 | C20 | C21 | C19 | 114.9° | 114.4° |
| C22 | C20 | C7 | C19 | 119.0° | 120.4° |
| C22 | C20 | C7 | C5 | 166.1° | 125.8° |
| C22 | C20 | C19 | C18 | 174.0° | 105.9° |
| C22 | C20 | C19 | H22 | 53.7° | 17.3° |
| C22 | C20 | C19 | H23 | 65.7° | 132.2° |
| C22 | C20 | C21 | H24 | 180.0° | 45.2° |
| C22 | C20 | C21 | H25 | 60.0° | 74.9° |
| C22 | C20 | C21 | H26 | 60.0° | 165.1° |
| C20 | C22 | H27 | H28 | 120.0° | 119.9° |
| C20 | C22 | H27 | H29 | 120.0° | 120.0° |
| C20 | C22 | H28 | H29 | 120.0° | 120.0° |
| C11 | C9 | C8 | C10 | 179.3° | 179.9° |
| C11 | C9 | C8 | C7 | 179.9° | 178.1° |
| C11 | C9 | C10 | C6 | 179.9° | 178.9° |
| C11 | C9 | C10 | H1 | 0.1° | 1.9° |
| C9 | C11 | H3 | H4 | 120.0° | 120.0° |
| C9 | C11 | H3 | H5 | 120.0° | 120.1° |
| C9 | C11 | H4 | H5 | 120.0° | 120.0° |
| C9 | C8 | C7 | C20 | 179.6° | 175.4° |
| C9 | C8 | C7 | C5 | 0.5° | 4.0° |
| C8 | C9 | C10 | C6 | 0.6° | 0.9° |
| C8 | C9 | C10 | H1 | 179.4° | 178.3° |
| C8 | C9 | C11 | H3 | 89.6° | 90.0° |
| C8 | C9 | C11 | H4 | 150.4° | 150.1° |
| C8 | C9 | C11 | H5 | 30.4° | 30.0° |
| C9 | C8 | C12 | H6 | 90.6° | 84.1° |
| C9 | C8 | C12 | H7 | 149.5° | 155.9° |
| C9 | C8 | C12 | H8 | 29.4° | 35.9° |
| C7 | C8 | C9 | C10 | 0.6° | 2.0° |
| C8 | C7 | C20 | C21 | 108.4° | 67.0° |
| C8 | C7 | C20 | C5 | 179.9° | 179.4° |
| C8 | C7 | C20 | C19 | 133.0° | 174.0° |
| C8 | C7 | C5 | C6 | 0.3° | 2.9° |
| C8 | C7 | C5 | N3 | 179.1° | 175.7° |
| C7 | C8 | C12 | H6 | 90.7° | 97.9° |
| C7 | C8 | C12 | H7 | 29.3° | 22.1° |
| C7 | C8 | C12 | H8 | 149.3° | 142.1° |
| C9 | C10 | C6 | H1 | 180.0° | 179.2° |
| C9 | C10 | C6 | C5 | 0.4° | 1.9° |
| C9 | C10 | C6 | N4 | 177.5° | 178.2° |
| C10 | C9 | C11 | H3 | 89.7° | 89.9° |
| C10 | C9 | C11 | H4 | 30.4° | 30.1° |
| C10 | C9 | C11 | H5 | 150.3° | 150.1° |
| C21 | C20 | C7 | C19 | 118.6° | 119.1° |
| C21 | C20 | C7 | C5 | 71.5° | 113.6° |
| C21 | C20 | C19 | C18 | 57.6° | 138.2° |
| C21 | C20 | C19 | H22 | 62.7° | 98.6° |
| C21 | C20 | C19 | H23 | 177.9° | 16.3° |
| C20 | C21 | H24 | H25 | 120.0° | 120.0° |
| C20 | C21 | H24 | H26 | 120.0° | 119.9° |
| C20 | C21 | H25 | H26 | 120.0° | 120.0° |
| C21 | C20 | C22 | H27 | 180.0° | 60.0° |
| C21 | C20 | C22 | H28 | 60.0° | 180.0° |
| C21 | C20 | C22 | H29 | 60.0° | 60.0° |
| C7 | C20 | C19 | C18 | 61.0° | 17.2° |
| C20 | C7 | C5 | C6 | 179.8° | 176.5° |
| C20 | C7 | C5 | N3 | 1.0° | 4.9° |
| C7 | C20 | C19 | H22 | 178.7° | 140.4° |
| C7 | C20 | C19 | H23 | 59.3° | 104.7° |
| C7 | C20 | C21 | H24 | 53.2° | 77.0° |
| C7 | C20 | C21 | H25 | 66.8° | 162.9° |
| C7 | C20 | C21 | H26 | 173.2° | 42.9° |
| C7 | C20 | C22 | H27 | 57.2° | 61.2° |
| C7 | C20 | C22 | H28 | 177.3° | 58.8° |
| C7 | C20 | C22 | H29 | 62.7° | 178.8° |
| C19 | C20 | C7 | C5 | 47.1° | 5.4° |
| C20 | C19 | C18 | H22 | 120.3° | 122.6° |
| C20 | C19 | C18 | H23 | 120.3° | 121.4° |
| C20 | C19 | C18 | N3 | 28.8° | 49.3° |
| C20 | C19 | C18 | C24 | 148.9° | 70.5° |
| C20 | C19 | C18 | H21 | 90.4° | 168.5° |
| C20 | C19 | H22 | H23 | 119.1° | 116.0° |
| C19 | C20 | C21 | H24 | 65.1° | 159.5° |
| C19 | C20 | C21 | H25 | 174.9° | 39.5° |
| C19 | C20 | C21 | H26 | 54.9° | 80.5° |
| C19 | C20 | C22 | H27 | 63.2° | 174.3° |
| C19 | C20 | C22 | H28 | 56.9° | 65.7° |
| C19 | C20 | C22 | H29 | 176.9° | 54.3° |
| C7 | C5 | C6 | C10 | 0.3° | 0.0° |
| C7 | C5 | C6 | N3 | 178.7° | 178.7° |
| C7 | C5 | C6 | N4 | 177.7° | 179.8° |
| C7 | C5 | N3 | C18 | 34.7° | 36.3° |
| C7 | C5 | N3 | C3 | 166.2° | 142.7° |
| C10 | C6 | C5 | N4 | 177.9° | 179.9° |
| C10 | C6 | C5 | N3 | 179.0° | 178.7° |
| C10 | C6 | N4 | C13 | 2.8° | 23.3° |
| C10 | C6 | N4 | C4 | 177.0° | 156.9° |
| C19 | C18 | N3 | C5 | 18.7° | 57.6° |
| C19 | C18 | N3 | C24 | 126.3° | 128.0° |
| C19 | C18 | N3 | H21 | 119.0° | 117.5° |
| C19 | C18 | C24 | H21 | 120.7° | 120.2° |
| C19 | C18 | N3 | C3 | 157.1° | 172.6° |
| C19 | C18 | C24 | C26 | 45.0° | 28.6° |
| C19 | C18 | C24 | C23 | 136.5° | 152.9° |
| C18 | C19 | H22 | H23 | 119.1° | 117.5° |
| C6 | C5 | N3 | C18 | 144.1° | 145.1° |
| C6 | C5 | N3 | C3 | 12.6° | 38.7° |
| C5 | C6 | N4 | C13 | 175.1° | 156.9° |
| C5 | C6 | N4 | C4 | 0.9° | 22.9° |
| C5 | C6 | C10 | H1 | 179.6° | 177.2° |
| N3 | C5 | C6 | N4 | 1.1° | 1.5° |
| C5 | N3 | C18 | C3 | 138.4° | 115.0° |
| C5 | N3 | C18 | C24 | 107.6° | 70.4° |
| C5 | N3 | C3 | C23 | 102.3° | 69.9° |
| C5 | N3 | C3 | C4 | 20.4° | 51.7° |
| C5 | N3 | C3 | C2 | 142.4° | 174.4° |
| C5 | N3 | C18 | H21 | 137.7° | 175.1° |
| C6 | N4 | C13 | C4 | 174.6° | 179.8° |
| C6 | N4 | C13 | C14 | 106.3° | 90.2° |
| C6 | N4 | C4 | C3 | 8.0° | 6.7° |
| C6 | N4 | C4 | N2 | 163.5° | 174.9° |
| N4 | C6 | C10 | H1 | 2.5° | 2.6° |
| C6 | N4 | C13 | H9 | 133.0° | 29.8° |
| C6 | N4 | C13 | H10 | 14.3° | 149.8° |
| N3 | C18 | C24 | H21 | 115.0° | 115.4° |
| N3 | C18 | C24 | C26 | 169.4° | 152.9° |
| N3 | C18 | C24 | C23 | 12.2° | 28.5° |
| C18 | N3 | C3 | C23 | 36.3° | 44.5° |
| C18 | N3 | C3 | C4 | 158.9° | 166.1° |
| C18 | N3 | C3 | C2 | 79.0° | 71.2° |
| N3 | C18 | C19 | H22 | 149.1° | 172.0° |
| N3 | C18 | C19 | H23 | 91.5° | 72.1° |
| C24 | C18 | N3 | C3 | 30.7° | 44.6° |
| C18 | C24 | C26 | O11 | 122.7° | 180.0° |
| C18 | C24 | C26 | C23 | 178.0° | 178.3° |
| C18 | C24 | C26 | O10 | 53.9° | 0.1° |
| C18 | C24 | C23 | C3 | 10.7° | 0.5° |
| C18 | C24 | C23 | C25 | 172.7° | 179.6° |
| C24 | C18 | C19 | H22 | 90.8° | 52.2° |
| C24 | C18 | C19 | H23 | 28.6° | 168.1° |
| N3 | C3 | C4 | N4 | 18.1° | 30.3° |
| N3 | C3 | C23 | C24 | 30.1° | 29.3° |
| N3 | C3 | C23 | C4 | 123.9° | 120.2° |
| N3 | C3 | C23 | C2 | 120.0° | 118.9° |
| N3 | C3 | C4 | C2 | 126.3° | 124.7° |
| N3 | C3 | C23 | C25 | 152.9° | 150.8° |
| N3 | C3 | C4 | N2 | 153.3° | 148.0° |
| N3 | C3 | C2 | O2 | 15.7° | 32.3° |
| N3 | C3 | C2 | N1 | 164.2° | 146.7° |
| C3 | N3 | C18 | H21 | 84.0° | 69.9° |
| O3 | C14 | C13 | N4 | 65.7° | 60.0° |
| O3 | C14 | C13 | C15 | 118.5° | 120.0° |
| O3 | C14 | C13 | H11 | 121.9° | 120.0° |
| O3 | C14 | C15 | H11 | 121.1° | 120.0° |
| O3 | C14 | C15 | C16 | 46.6° | 60.0° |
| O3 | C14 | C15 | O4 | 171.0° | 180.0° |
| O3 | C14 | C13 | H9 | 173.6° | 180.0° |
| O3 | C14 | C13 | H10 | 54.9° | 60.0° |
| O3 | C14 | C15 | H12 | 72.2° | 60.0° |
| N4 | C13 | C14 | H9 | 120.7° | 120.0° |
| N4 | C13 | C14 | H10 | 120.7° | 120.0° |
| C13 | N4 | C4 | C3 | 166.5° | 173.1° |
| N4 | C13 | C14 | C15 | 175.8° | 180.0° |
| C13 | N4 | C4 | N2 | 21.9° | 5.3° |
| N4 | C13 | H9 | H10 | 117.9° | 120.0° |
| N4 | C13 | C14 | H11 | 56.2° | 60.0° |
| C4 | N4 | C13 | C14 | 79.1° | 90.1° |
| N4 | C4 | C3 | C23 | 98.7° | 84.7° |
| N4 | C4 | C3 | N2 | 171.4° | 178.3° |
| N4 | C4 | C3 | C2 | 144.4° | 155.0° |
| N4 | C4 | N2 | C1 | 176.4° | 172.9° |
| C4 | N4 | C13 | H9 | 41.6° | 150.0° |
| C4 | N4 | C13 | H10 | 160.2° | 30.0° |
| O11 | C26 | C24 | O10 | 176.6° | 179.9° |
| O11 | C26 | C24 | C23 | 59.3° | 1.6° |
| O11 | C26 | O10 | H33 | 0.0° | 0.1° |
| C26 | C24 | C23 | C3 | 167.5° | 178.1° |
| C26 | C24 | C23 | C25 | 9.1° | 1.8° |
| C26 | C24 | C18 | H21 | 75.6° | 91.6° |
| C24 | C26 | O10 | H33 | 176.3° | 180.0° |
| C23 | C24 | C26 | O10 | 124.1° | 178.3° |
| C24 | C23 | C3 | C25 | 177.0° | 179.9° |
| C24 | C23 | C3 | C4 | 154.0° | 149.5° |
| C24 | C23 | C3 | C2 | 90.0° | 89.6° |
| C23 | C24 | C18 | H21 | 102.8° | 86.9° |
| C24 | C23 | C25 | H30 | 180.0° | 89.8° |
| C24 | C23 | C25 | H31 | 60.0° | 30.1° |
| C24 | C23 | C25 | H32 | 60.0° | 150.2° |
| C13 | C14 | C15 | H11 | 119.6° | 120.0° |
| C13 | C14 | C15 | C16 | 165.9° | 180.0° |
| C13 | C14 | C15 | O4 | 69.7° | 60.0° |
| C14 | C13 | H9 | H10 | 117.9° | 120.0° |
| C13 | C14 | C15 | H12 | 47.1° | 60.0° |
| C13 | C14 | O3 | H13 | 180.0° | 60.0° |
| C23 | C3 | C4 | C2 | 116.8° | 120.3° |
| C23 | C3 | C4 | N2 | 89.8° | 97.0° |
| C23 | C3 | C2 | O2 | 96.8° | 80.1° |
| C23 | C3 | C2 | N1 | 83.2° | 100.9° |
| C3 | C23 | C25 | H30 | 3.8° | 90.0° |
| C3 | C23 | C25 | H31 | 116.2° | 150.0° |
| C3 | C23 | C25 | H32 | 123.8° | 30.0° |
| C4 | C3 | C23 | C25 | 29.1° | 30.6° |
| C4 | C3 | C2 | O2 | 142.6° | 156.3° |
| C4 | C3 | C2 | N1 | 37.4° | 22.7° |
| C3 | C4 | N2 | C1 | 5.1° | 5.4° |
| C2 | C3 | C23 | C25 | 87.0° | 90.2° |
| C2 | C3 | C4 | N2 | 27.0° | 23.3° |
| C3 | C2 | O2 | N1 | 180.0° | 179.0° |
| C3 | C2 | N1 | C1 | 18.2° | 4.9° |
| C3 | C2 | N1 | H2 | 161.8° | 173.9° |
| C14 | C15 | C16 | O4 | 123.6° | 120.0° |
| C14 | C15 | C16 | H12 | 118.8° | 120.0° |
| C14 | C15 | O4 | H12 | 115.9° | 120.0° |
| C14 | C15 | C16 | O5 | 173.5° | 60.1° |
| C14 | C15 | C16 | C17 | 50.8° | 180.0° |
| C15 | C14 | C13 | H9 | 55.1° | 60.0° |
| C15 | C14 | C13 | H10 | 63.6° | 60.0° |
| C15 | C14 | O3 | H13 | 61.1° | 60.0° |
| C14 | C15 | C16 | H14 | 68.3° | 60.0° |
| C14 | C15 | O4 | H15 | 180.0° | 60.0° |
| C23 | C25 | H30 | H31 | 120.0° | 120.0° |
| C23 | C25 | H30 | H32 | 120.0° | 119.9° |
| C23 | C25 | H31 | H32 | 120.0° | 120.0° |
| C4 | N2 | C1 | N1 | 30.7° | 16.2° |
| C4 | N2 | C1 | O1 | 145.9° | 166.1° |
| O2 | C2 | N1 | C1 | 161.8° | 174.2° |
| O2 | C2 | N1 | H2 | 18.2° | 7.1° |
| C16 | C15 | O4 | H12 | 116.8° | 120.1° |
| C15 | C16 | O5 | C17 | 125.0° | 119.9° |
| C15 | C16 | O5 | H14 | 117.4° | 120.1° |
| C15 | C16 | C17 | H14 | 118.9° | 120.0° |
| C15 | C16 | C17 | O6 | 171.2° | 175.0° |
| C16 | C15 | C14 | H11 | 74.5° | 60.0° |
| C16 | C15 | O4 | H15 | 52.7° | 60.0° |
| C15 | C16 | C17 | H16 | 51.4° | 55.1° |
| C15 | C16 | C17 | H17 | 69.1° | 65.1° |
| C15 | C16 | O5 | H18 | 180.0° | 59.9° |
| O4 | C15 | C16 | O5 | 49.9° | 180.0° |
| O4 | C15 | C16 | C17 | 72.8° | 60.0° |
| O4 | C15 | C14 | H11 | 49.9° | 60.0° |
| O4 | C15 | C16 | H14 | 168.1° | 60.0° |
| O5 | C16 | C17 | H14 | 118.2° | 120.0° |
| O5 | C16 | C17 | O6 | 65.9° | 65.0° |
| O5 | C16 | C15 | H12 | 67.7° | 59.9° |
| O5 | C16 | C17 | H16 | 174.3° | 175.0° |
| O5 | C16 | C17 | H17 | 53.8° | 54.9° |
| C16 | C17 | O6 | H16 | 119.7° | 120.0° |
| C16 | C17 | O6 | H17 | 119.8° | 120.0° |
| C16 | C17 | O6 | P1 | 115.4° | 180.0° |
| C17 | C16 | C15 | H12 | 169.6° | 60.0° |
| C16 | C17 | H16 | H17 | 120.7° | 120.1° |
| C17 | C16 | O5 | H18 | 55.0° | 60.0° |
| C2 | N1 | C1 | N2 | 20.0° | 16.3° |
| C2 | N1 | C1 | H2 | 180.0° | 178.7° |
| C2 | N1 | C1 | O1 | 156.6° | 166.0° |
| C17 | O6 | P1 | O9 | 168.6° | 55.0° |
| C17 | O6 | P1 | O7 | 72.8° | 65.0° |
| C17 | O6 | P1 | O8 | 49.0° | 175.0° |
| O6 | C17 | C16 | H14 | 52.3° | 55.0° |
| O6 | C17 | H16 | H17 | 120.7° | 120.0° |
| O6 | P1 | O9 | O7 | 114.0° | 120.0° |
| O6 | P1 | O9 | O8 | 115.3° | 120.0° |
| O6 | P1 | O7 | O8 | 117.6° | 120.0° |
| P1 | O6 | C17 | H16 | 124.8° | 60.0° |
| P1 | O6 | C17 | H17 | 4.3° | 60.0° |
| O6 | P1 | O7 | H19 | 111.9° | 60.0° |
| O6 | P1 | O8 | H20 | 112.8° | 180.0° |
| N2 | C1 | N1 | O1 | 176.6° | 177.7° |
| N2 | C1 | N1 | H2 | 160.0° | 165.0° |
| O9 | P1 | O7 | O8 | 130.5° | 120.0° |
| O9 | P1 | O7 | H19 | 0.0° | 180.0° |
| O9 | P1 | O8 | H20 | 0.0° | 60.0° |
| O1 | C1 | N1 | H2 | 23.4° | 12.7° |
| O7 | P1 | O8 | H20 | 130.2° | 60.0° |
| O8 | P1 | O7 | H19 | 130.5° | 60.0° |
| H3 | C11 | H4 | H5 | 120.0° | 120.0° |
| H6 | C12 | H7 | H8 | 120.0° | 120.0° |
| H9 | C13 | C14 | H11 | 64.5° | 60.0° |
| H10 | C13 | C14 | H11 | 176.9° | 180.0° |
| H11 | C14 | C15 | H12 | 166.7° | 180.0° |
| H11 | C14 | O3 | H13 | 59.0° | 180.0° |
| H12 | C15 | C16 | H14 | 50.5° | 180.0° |
| H12 | C15 | O4 | H15 | 64.1° | 180.0° |
| H14 | C16 | C17 | H16 | 67.5° | 65.0° |
| H14 | C16 | C17 | H17 | 172.0° | 174.9° |
| H14 | C16 | O5 | H18 | 62.6° | 180.0° |
| H21 | C18 | C19 | H22 | 29.9° | 68.8° |
| H21 | C18 | C19 | H23 | 149.3° | 47.1° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
| H27 | C22 | H28 | H29 | 120.0° | 120.1° |
| H30 | C25 | H31 | H32 | 120.0° | 120.1° |
