VKJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C8 | sing | 1.43Å | 1.42Å | |
| C30 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | P1 | doub | 1.48Å | 1.40Å | |
| C8 | C9 | sing | 1.55Å | 1.51Å | |
| C8 | C7 | sing | 1.54Å | 1.51Å | |
| C27 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O2 | sing | 1.44Å | 1.42Å | |
| C10 | O4 | sing | 1.43Å | 1.42Å | |
| P1 | O4 | sing | 1.61Å | 1.71Å | |
| P1 | O6 | sing | 1.61Å | 1.40Å | |
| C24 | C25 | doub | 1.42Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C28 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C28 | C22 | sing | 1.42Å | 1.40Å | Aromatic |
| O2 | C6 | sing | 1.44Å | 1.43Å | |
| C25 | C26 | sing | 1.35Å | 1.40Å | Aromatic |
| C23 | C19 | doub | 1.41Å | 1.47Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.40Å | Aromatic |
| C6 | N5 | sing | 1.46Å | 1.47Å | |
| C26 | C18 | doub | 1.42Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.47Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.48Å | Aromatic |
| C21 | C20 | sing | 1.42Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
| N5 | C3 | sing | 1.37Å | 1.33Å | Aromatic |
| C20 | C13 | doub | 1.40Å | 1.47Å | Aromatic |
| C5 | N4 | doub | 1.30Å | 1.36Å | Aromatic |
| O7 | C11 | sing | 1.43Å | 1.43Å | |
| C3 | N3 | sing | 1.34Å | 1.36Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.35Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | N2 | sing | 1.46Å | 1.45Å | |
| C13 | C16 | sing | 1.38Å | 1.50Å | Aromatic |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.48Å | |
| N4 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.39Å | |
| C2 | N2 | sing | 1.37Å | 1.36Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O8 | sing | 1.43Å | 1.43Å | |
| C15 | O9 | sing | 1.43Å | 1.43Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| O9 | H20 | sing | 0.97Å | 0.95Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| P1 | O3P | sing | 1.61Å | 1.60Å | |
| O3P | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C8 | C9 | 105.3° | 110.5° |
| O3 | C8 | C7 | 108.9° | 110.6° |
| O3 | C8 | H7 | 113.3° | 110.6° |
| C8 | O3 | H8 | 109.5° | 114.0° |
| C27 | C30 | C29 | 120.7° | 121.6° |
| C30 | C27 | C24 | 119.9° | 120.1° |
| C30 | C27 | H26 | 120.1° | 120.0° |
| C27 | C30 | H28 | 119.7° | 119.2° |
| C30 | C29 | C28 | 119.8° | 120.2° |
| C30 | C29 | H27 | 120.1° | 119.9° |
| C29 | C30 | H28 | 119.7° | 119.2° |
| O5 | P1 | O4 | 116.5° | 109.5° |
| O5 | P1 | O6 | 120.0° | 109.5° |
| O5 | P1 | O3P | 95.8° | 109.5° |
| C9 | C8 | C7 | 105.1° | 104.1° |
| C8 | C9 | C10 | 112.8° | 110.4° |
| C8 | C9 | O2 | 106.0° | 104.8° |
| C9 | C8 | H7 | 111.9° | 110.5° |
| C8 | C9 | H9 | 109.3° | 110.4° |
| C8 | C7 | C6 | 101.7° | 104.1° |
| C8 | C7 | H5 | 111.4° | 110.5° |
| C8 | C7 | H6 | 111.4° | 110.6° |
| C7 | C8 | H7 | 111.9° | 110.5° |
| C27 | C24 | C25 | 121.0° | 121.8° |
| C27 | C24 | C23 | 118.7° | 118.8° |
| C24 | C27 | H26 | 120.1° | 120.0° |
| C29 | C28 | C23 | 118.7° | 118.7° |
| C29 | C28 | C22 | 121.1° | 121.9° |
| C28 | C29 | H27 | 120.1° | 120.0° |
| C10 | C9 | O2 | 108.6° | 110.4° |
| C9 | C10 | O4 | 107.9° | 109.5° |
| C10 | C9 | H9 | 109.4° | 110.3° |
| C9 | C10 | H10 | 109.9° | 109.5° |
| C9 | C10 | H11 | 109.9° | 109.5° |
| C9 | O2 | C6 | 110.6° | 105.3° |
| O2 | C9 | H9 | 110.7° | 110.4° |
| C10 | O4 | P1 | 117.9° | 123.0° |
| O4 | C10 | H10 | 109.9° | 109.5° |
| O4 | C10 | H11 | 109.9° | 109.5° |
| O4 | P1 | O6 | 118.7° | 109.5° |
| O4 | P1 | O3P | 100.3° | 109.5° |
| P1 | O6 | H13 | 109.5° | 114.0° |
| O6 | P1 | O3P | 96.0° | 109.5° |
| C25 | C24 | C23 | 120.3° | 119.4° |
| C24 | C25 | C26 | 122.6° | 120.9° |
| C24 | C25 | H24 | 118.7° | 119.6° |
| C24 | C23 | C28 | 122.2° | 120.7° |
| C24 | C23 | C19 | 119.0° | 119.7° |
| C7 | C6 | O2 | 107.0° | 104.9° |
| C7 | C6 | N5 | 115.2° | 110.4° |
| C7 | C6 | H4 | 108.9° | 110.4° |
| C6 | C7 | H5 | 111.4° | 110.5° |
| C6 | C7 | H6 | 111.4° | 110.5° |
| C23 | C28 | C22 | 120.2° | 119.4° |
| C28 | C23 | C19 | 118.8° | 119.6° |
| C28 | C22 | C21 | 122.7° | 120.9° |
| C28 | C22 | H23 | 118.6° | 119.5° |
| O2 | C6 | N5 | 105.8° | 110.4° |
| O2 | C6 | H4 | 110.2° | 110.4° |
| C25 | C26 | C18 | 120.4° | 120.9° |
| C26 | C25 | H24 | 118.7° | 119.5° |
| C25 | C26 | H25 | 119.8° | 119.6° |
| C23 | C19 | C18 | 119.0° | 119.8° |
| C23 | C19 | C20 | 119.8° | 119.9° |
| C22 | C21 | C20 | 120.9° | 120.8° |
| C22 | C21 | H22 | 119.5° | 119.6° |
| C21 | C22 | H23 | 118.6° | 119.5° |
| C6 | N5 | C5 | 126.7° | 126.3° |
| C6 | N5 | C3 | 124.3° | 126.2° |
| N5 | C6 | H4 | 109.6° | 110.3° |
| C26 | C18 | C19 | 118.7° | 119.3° |
| C26 | C18 | C17 | 122.9° | 122.1° |
| C18 | C26 | H25 | 119.8° | 119.5° |
| C18 | C19 | C20 | 121.2° | 120.3° |
| C19 | C18 | C17 | 118.4° | 118.6° |
| C19 | C20 | C21 | 117.6° | 119.4° |
| C19 | C20 | C13 | 119.9° | 119.4° |
| C21 | C20 | C13 | 122.5° | 121.2° |
| C20 | C21 | H22 | 119.5° | 119.6° |
| C18 | C17 | C16 | 121.8° | 120.9° |
| C18 | C17 | H21 | 119.1° | 119.5° |
| C5 | N5 | C3 | 108.9° | 107.5° |
| N5 | C5 | N4 | 108.8° | 109.9° |
| N5 | C5 | H3 | 125.6° | 125.0° |
| N5 | C3 | N3 | 132.4° | 134.2° |
| N5 | C3 | C4 | 107.4° | 106.1° |
| C20 | C13 | C12 | 113.4° | 117.5° |
| C20 | C13 | C16 | 114.2° | 119.9° |
| C5 | N4 | C4 | 107.3° | 109.3° |
| N4 | C5 | H3 | 125.6° | 125.1° |
| O7 | C11 | C12 | 110.8° | 109.7° |
| O7 | C11 | C14 | 110.4° | 109.7° |
| C11 | O7 | H14 | 109.5° | 114.1° |
| O7 | C11 | H15 | 108.6° | 109.7° |
| N3 | C3 | C4 | 120.3° | 119.7° |
| C3 | N3 | C2 | 120.1° | 121.1° |
| C3 | C4 | N4 | 107.7° | 107.2° |
| C3 | C4 | C1 | 118.9° | 118.6° |
| C17 | C16 | C13 | 124.3° | 121.0° |
| C17 | C16 | C15 | 116.8° | 116.8° |
| C16 | C17 | H21 | 119.1° | 119.7° |
| N3 | C2 | N2 | 120.3° | 119.1° |
| N3 | C2 | N1 | 120.3° | 121.9° |
| C13 | C12 | C11 | 112.2° | 110.7° |
| C13 | C12 | N2 | 103.9° | 109.2° |
| C12 | C13 | C16 | 113.3° | 122.7° |
| C13 | C12 | H16 | 112.3° | 109.2° |
| C11 | C12 | N2 | 102.1° | 109.2° |
| C12 | C11 | C14 | 112.0° | 108.3° |
| C12 | C11 | H15 | 107.5° | 109.8° |
| C11 | C12 | H16 | 112.2° | 109.2° |
| C12 | N2 | C2 | 122.7° | 120.0° |
| C12 | N2 | H2 | 118.7° | 120.0° |
| N2 | C12 | H16 | 113.4° | 109.2° |
| C13 | C16 | C15 | 118.8° | 122.3° |
| C11 | C14 | C15 | 114.2° | 108.3° |
| C11 | C14 | O8 | 107.8° | 109.7° |
| C14 | C11 | H15 | 107.4° | 109.7° |
| C11 | C14 | H17 | 108.2° | 109.7° |
| C16 | C15 | C14 | 111.0° | 110.7° |
| C16 | C15 | O9 | 109.5° | 109.2° |
| C16 | C15 | H19 | 108.7° | 109.2° |
| N4 | C4 | C1 | 133.5° | 134.1° |
| C4 | C1 | N1 | 119.3° | 118.3° |
| C4 | C1 | O1 | 120.1° | 120.9° |
| N2 | C2 | N1 | 119.4° | 119.0° |
| C2 | N2 | H2 | 118.6° | 120.0° |
| C2 | N1 | C1 | 121.1° | 120.3° |
| C2 | N1 | H1 | 119.5° | 119.8° |
| C15 | C14 | O8 | 108.8° | 109.7° |
| C14 | C15 | O9 | 110.2° | 109.2° |
| C15 | C14 | H17 | 108.2° | 109.7° |
| C14 | C15 | H19 | 108.0° | 109.2° |
| O8 | C14 | H17 | 109.5° | 109.7° |
| C14 | O8 | H18 | 109.5° | 114.0° |
| O9 | C15 | H19 | 109.3° | 109.2° |
| C15 | O9 | H20 | 109.5° | 114.0° |
| N1 | C1 | O1 | 120.5° | 120.8° |
| C1 | N1 | H1 | 119.4° | 119.9° |
| H5 | C7 | H6 | 109.5° | 110.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| P1 | O3P | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C8 | C9 | C7 | 114.9° | 118.7° |
| O3 | C8 | C9 | H7 | 123.5° | 122.7° |
| O3 | C8 | C7 | H7 | 126.0° | 122.8° |
| O3 | C8 | C9 | C10 | 149.7° | 98.5° |
| O3 | C8 | C9 | O2 | 91.6° | 142.6° |
| O3 | C8 | C7 | C6 | 82.0° | 118.7° |
| O3 | C8 | C7 | H5 | 159.3° | 0.0° |
| O3 | C8 | C7 | H6 | 36.8° | 122.6° |
| O3 | C8 | C9 | H9 | 27.7° | 23.7° |
| C27 | C30 | C29 | H28 | 180.0° | 180.0° |
| C30 | C27 | C24 | H26 | 180.0° | 180.0° |
| C27 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C27 | C24 | C25 | 180.0° | 180.0° |
| C30 | C27 | C24 | C23 | 0.1° | 0.0° |
| C27 | C30 | C29 | H27 | 179.7° | 180.0° |
| C29 | C30 | C27 | C24 | 0.3° | 0.0° |
| C30 | C29 | C28 | H27 | 180.0° | 179.9° |
| C30 | C29 | C28 | C23 | 0.3° | 0.1° |
| C30 | C29 | C28 | C22 | 179.9° | 180.0° |
| C29 | C30 | C27 | H26 | 179.7° | 180.0° |
| O5 | P1 | O4 | C10 | 38.4° | 55.0° |
| O5 | P1 | O4 | O6 | 155.4° | 120.0° |
| O5 | P1 | O4 | O3P | 101.9° | 120.0° |
| O5 | P1 | O6 | O3P | 100.3° | 120.0° |
| O5 | P1 | O6 | H13 | 0.0° | 60.0° |
| O5 | P1 | O3P | H12 | 0.0° | 180.0° |
| C9 | C8 | C7 | H7 | 121.6° | 118.6° |
| C8 | C9 | C10 | O2 | 117.2° | 115.4° |
| C8 | C9 | C10 | H9 | 121.9° | 122.3° |
| C8 | C9 | O2 | H9 | 118.4° | 118.9° |
| C8 | C9 | C10 | O4 | 54.4° | 175.0° |
| C9 | C8 | C7 | C6 | 30.5° | 0.1° |
| C8 | C9 | O2 | C6 | 5.8° | 40.4° |
| C9 | C8 | C7 | H5 | 88.3° | 118.6° |
| C9 | C8 | C7 | H6 | 149.2° | 118.7° |
| C9 | C8 | O3 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 174.2° | 55.0° |
| C8 | C9 | C10 | H11 | 65.3° | 64.9° |
| C7 | C8 | C9 | C10 | 95.4° | 142.8° |
| C7 | C8 | C9 | O2 | 23.3° | 24.0° |
| C8 | C7 | C6 | H5 | 118.7° | 118.7° |
| C8 | C7 | C6 | H6 | 118.7° | 118.8° |
| C8 | C7 | C6 | O2 | 27.6° | 23.9° |
| C8 | C7 | C6 | N5 | 144.9° | 142.8° |
| C8 | C7 | C6 | H4 | 91.6° | 95.0° |
| C8 | C7 | H5 | H6 | 123.6° | 122.8° |
| C7 | C8 | O3 | H8 | 67.8° | 65.4° |
| C7 | C8 | C9 | H9 | 142.6° | 94.9° |
| C27 | C24 | C25 | C23 | 179.8° | 179.9° |
| C27 | C24 | C23 | C28 | 0.1° | 0.0° |
| C27 | C24 | C25 | C26 | 179.8° | 180.0° |
| C27 | C24 | C23 | C19 | 179.9° | 179.9° |
| C27 | C24 | C25 | H24 | 0.2° | 0.1° |
| C24 | C27 | C30 | H28 | 179.7° | 180.0° |
| C29 | C28 | C23 | C24 | 0.2° | 0.1° |
| C29 | C28 | C23 | C22 | 179.8° | 180.0° |
| C29 | C28 | C23 | C19 | 179.8° | 180.0° |
| C29 | C28 | C22 | C21 | 179.8° | 180.0° |
| C29 | C28 | C22 | H23 | 0.2° | 0.1° |
| C28 | C29 | C30 | H28 | 179.7° | 179.9° |
| C10 | C9 | O2 | H9 | 120.1° | 122.3° |
| C9 | C10 | O4 | H10 | 119.8° | 120.0° |
| C9 | C10 | O4 | H11 | 119.8° | 120.0° |
| C9 | C10 | O4 | P1 | 156.1° | 180.0° |
| C10 | C9 | O2 | C6 | 115.7° | 159.2° |
| C10 | C9 | C8 | H7 | 26.1° | 24.1° |
| C9 | C10 | H10 | H11 | 120.8° | 120.0° |
| O2 | C9 | C10 | O4 | 62.8° | 69.6° |
| C9 | O2 | C6 | C7 | 14.1° | 40.4° |
| C9 | O2 | C6 | N5 | 137.4° | 159.4° |
| C9 | O2 | C6 | H4 | 104.2° | 78.5° |
| O2 | C9 | C8 | H7 | 144.9° | 94.7° |
| O2 | C9 | C10 | H10 | 57.0° | 170.4° |
| O2 | C9 | C10 | H11 | 177.5° | 50.4° |
| C10 | O4 | P1 | O6 | 166.2° | 175.0° |
| O4 | C10 | C9 | H9 | 176.4° | 52.7° |
| O4 | C10 | H10 | H11 | 120.7° | 120.0° |
| C10 | O4 | P1 | O3P | 63.4° | 65.0° |
| O4 | P1 | O6 | O3P | 105.2° | 120.0° |
| P1 | O4 | C10 | H10 | 84.1° | 60.0° |
| P1 | O4 | C10 | H11 | 36.3° | 60.0° |
| O4 | P1 | O6 | H13 | 154.5° | 180.0° |
| O4 | P1 | O3P | H12 | 118.3° | 60.0° |
| O6 | P1 | O3P | H12 | 121.1° | 60.0° |
| C25 | C24 | C23 | C28 | 179.9° | 179.9° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C19 | 0.1° | 0.0° |
| C24 | C25 | C26 | C18 | 0.1° | 0.1° |
| C24 | C25 | C26 | H25 | 179.9° | 180.0° |
| C25 | C24 | C27 | H26 | 0.0° | 0.1° |
| C24 | C23 | C28 | C19 | 180.0° | 179.9° |
| C24 | C23 | C28 | C22 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C24 | C23 | C19 | C18 | 0.1° | 0.0° |
| C24 | C23 | C19 | C20 | 179.4° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C27 | H26 | 179.9° | 180.0° |
| C7 | C6 | O2 | N5 | 123.3° | 118.9° |
| C7 | C6 | O2 | H4 | 118.3° | 118.9° |
| C7 | C6 | N5 | H4 | 123.2° | 122.2° |
| C7 | C6 | N5 | C5 | 57.3° | 93.5° |
| C7 | C6 | N5 | C3 | 126.0° | 86.8° |
| C6 | C7 | H5 | H6 | 123.6° | 122.6° |
| C6 | C7 | C8 | H7 | 152.0° | 118.6° |
| C23 | C28 | C22 | C21 | 0.0° | 0.0° |
| C28 | C23 | C19 | C18 | 179.9° | 180.0° |
| C28 | C23 | C19 | C20 | 0.6° | 0.0° |
| C23 | C28 | C22 | H23 | 180.0° | 179.9° |
| C23 | C28 | C29 | H27 | 179.7° | 180.0° |
| C22 | C28 | C23 | C19 | 0.0° | 0.0° |
| C28 | C22 | C21 | H23 | 180.0° | 179.9° |
| C28 | C22 | C21 | C20 | 0.6° | 0.0° |
| C28 | C22 | C21 | H22 | 179.4° | 180.0° |
| C22 | C28 | C29 | H27 | 0.1° | 0.0° |
| O2 | C6 | N5 | H4 | 118.8° | 122.2° |
| O2 | C6 | N5 | C5 | 60.7° | 22.1° |
| O2 | C6 | N5 | C3 | 116.0° | 157.6° |
| O2 | C6 | C7 | H5 | 91.2° | 142.5° |
| O2 | C6 | C7 | H6 | 146.3° | 94.9° |
| C6 | O2 | C9 | H9 | 124.2° | 78.5° |
| C25 | C26 | C18 | H25 | 180.0° | 179.9° |
| C25 | C26 | C18 | C19 | 0.0° | 0.0° |
| C25 | C26 | C18 | C17 | 179.9° | 180.0° |
| C23 | C19 | C18 | C26 | 0.0° | 0.0° |
| C23 | C19 | C18 | C20 | 179.3° | 180.0° |
| C23 | C19 | C20 | C21 | 1.2° | 0.0° |
| C23 | C19 | C18 | C17 | 180.0° | 180.0° |
| C23 | C19 | C20 | C13 | 178.0° | 180.0° |
| C22 | C21 | C20 | C19 | 1.2° | 0.0° |
| C22 | C21 | C20 | H22 | 180.0° | 180.0° |
| C22 | C21 | C20 | C13 | 177.9° | 180.0° |
| C6 | N5 | C5 | C3 | 177.1° | 179.7° |
| C6 | N5 | C5 | N4 | 178.4° | 180.0° |
| C6 | N5 | C3 | N3 | 2.5° | 0.2° |
| C6 | N5 | C3 | C4 | 178.5° | 180.0° |
| C6 | N5 | C5 | H3 | 1.6° | 0.2° |
| N5 | C6 | C7 | H5 | 26.1° | 98.5° |
| N5 | C6 | C7 | H6 | 96.4° | 24.0° |
| C26 | C18 | C19 | C17 | 179.9° | 180.0° |
| C26 | C18 | C19 | C20 | 179.3° | 180.0° |
| C26 | C18 | C17 | C16 | 179.5° | 179.9° |
| C26 | C18 | C17 | H21 | 0.5° | 0.0° |
| C18 | C26 | C25 | H24 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 179.5° | 180.0° |
| C18 | C19 | C20 | C13 | 2.7° | 0.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.1° |
| C19 | C18 | C17 | H21 | 179.4° | 180.0° |
| C19 | C18 | C26 | H25 | 180.0° | 179.9° |
| C19 | C20 | C21 | C13 | 176.7° | 180.0° |
| C20 | C19 | C18 | C17 | 0.7° | 0.1° |
| C19 | C20 | C13 | C12 | 135.9° | 179.8° |
| C19 | C20 | C13 | C16 | 4.1° | 0.1° |
| C19 | C20 | C21 | H22 | 178.8° | 179.9° |
| C21 | C20 | C13 | C12 | 47.4° | 0.2° |
| C21 | C20 | C13 | C16 | 179.2° | 179.9° |
| C20 | C21 | C22 | H23 | 179.4° | 179.9° |
| C18 | C17 | C16 | H21 | 180.0° | 180.0° |
| C18 | C17 | C16 | C13 | 2.4° | 0.2° |
| C18 | C17 | C16 | C15 | 179.8° | 179.6° |
| C17 | C18 | C26 | H25 | 0.1° | 0.1° |
| N5 | C5 | N4 | H3 | 180.0° | 179.8° |
| C5 | N5 | C3 | N3 | 179.7° | 179.9° |
| C5 | N5 | C3 | C4 | 1.3° | 0.3° |
| N5 | C5 | N4 | C4 | 0.8° | 0.2° |
| C5 | N5 | C6 | H4 | 179.5° | 144.3° |
| C3 | N5 | C5 | N4 | 1.3° | 0.3° |
| N5 | C3 | N3 | C4 | 178.9° | 179.8° |
| N5 | C3 | N3 | C2 | 179.2° | 180.0° |
| N5 | C3 | C4 | N4 | 0.8° | 0.2° |
| N5 | C3 | C4 | C1 | 179.4° | 179.7° |
| C3 | N5 | C5 | H3 | 178.7° | 179.9° |
| C3 | N5 | C6 | H4 | 2.9° | 35.4° |
| C20 | C13 | C16 | C17 | 4.2° | 0.3° |
| C20 | C13 | C12 | C16 | 132.3° | 179.9° |
| C20 | C13 | C12 | C11 | 129.3° | 162.6° |
| C20 | C13 | C12 | N2 | 121.1° | 77.1° |
| C20 | C13 | C16 | C15 | 178.1° | 179.6° |
| C20 | C13 | C12 | H16 | 1.8° | 42.3° |
| C13 | C20 | C21 | H22 | 2.1° | 0.0° |
| C5 | N4 | C4 | C3 | 0.0° | 0.0° |
| C5 | N4 | C4 | C1 | 179.8° | 179.4° |
| O7 | C11 | C12 | C13 | 73.4° | 68.7° |
| O7 | C11 | C12 | C14 | 123.7° | 119.7° |
| O7 | C11 | C12 | H15 | 118.6° | 120.6° |
| O7 | C11 | C12 | N2 | 175.9° | 171.0° |
| O7 | C11 | C14 | H15 | 118.2° | 120.5° |
| O7 | C11 | C14 | C15 | 70.3° | 49.7° |
| O7 | C11 | C14 | O8 | 50.7° | 70.0° |
| O7 | C11 | C12 | H16 | 54.1° | 51.6° |
| O7 | C11 | C14 | H17 | 169.1° | 169.4° |
| N3 | C3 | C4 | N4 | 180.0° | 180.0° |
| N3 | C3 | C4 | C1 | 0.2° | 0.5° |
| C3 | N3 | C2 | N2 | 180.0° | 180.0° |
| C3 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | C3 | N3 | C2 | 0.3° | 0.2° |
| C3 | C4 | N4 | C1 | 179.7° | 179.4° |
| C3 | C4 | C1 | N1 | 0.1° | 0.5° |
| C3 | C4 | C1 | O1 | 179.8° | 179.8° |
| C17 | C16 | C13 | C12 | 136.0° | 179.7° |
| C17 | C16 | C13 | C15 | 177.7° | 179.8° |
| C17 | C16 | C15 | C14 | 139.0° | 162.3° |
| C17 | C16 | C15 | O9 | 99.1° | 42.0° |
| C17 | C16 | C15 | H19 | 20.3° | 77.4° |
| N3 | C2 | N2 | C12 | 0.4° | 0.1° |
| N3 | C2 | N2 | N1 | 179.8° | 180.0° |
| N3 | C2 | N1 | C1 | 0.1° | 0.0° |
| N3 | C2 | N1 | H1 | 179.9° | 180.0° |
| N3 | C2 | N2 | H2 | 179.6° | 180.0° |
| C13 | C12 | C11 | N2 | 110.7° | 120.3° |
| C13 | C12 | C11 | H16 | 127.5° | 120.3° |
| C13 | C12 | N2 | H16 | 122.2° | 119.4° |
| C13 | C12 | C11 | C14 | 50.3° | 51.0° |
| C12 | C13 | C16 | C15 | 46.3° | 0.5° |
| C13 | C12 | N2 | C2 | 113.6° | 155.0° |
| C13 | C12 | N2 | H2 | 66.4° | 25.0° |
| C13 | C12 | C11 | H15 | 168.0° | 170.7° |
| C11 | C12 | N2 | H16 | 121.0° | 119.4° |
| C11 | C12 | C13 | C16 | 3.0° | 17.5° |
| C12 | C11 | C14 | H15 | 117.8° | 119.8° |
| C11 | C12 | N2 | C2 | 129.6° | 83.8° |
| C12 | C11 | C14 | C15 | 53.7° | 70.0° |
| C12 | C11 | C14 | O8 | 174.7° | 170.3° |
| C11 | C12 | N2 | H2 | 50.4° | 96.2° |
| C12 | C11 | O7 | H14 | 180.0° | 178.8° |
| C12 | C11 | C14 | H17 | 66.9° | 49.7° |
| N2 | C12 | C13 | C16 | 106.6° | 102.8° |
| N2 | C12 | C11 | C14 | 60.4° | 69.3° |
| C12 | N2 | C2 | H2 | 180.0° | 180.0° |
| C12 | N2 | C2 | N1 | 179.4° | 180.0° |
| N2 | C12 | C11 | H15 | 57.3° | 50.4° |
| C13 | C16 | C15 | C14 | 43.2° | 17.9° |
| C13 | C16 | C15 | O9 | 78.8° | 138.1° |
| C16 | C13 | C12 | H16 | 130.5° | 137.8° |
| C13 | C16 | C15 | H19 | 161.8° | 102.5° |
| C13 | C16 | C17 | H21 | 177.5° | 179.8° |
| C11 | C14 | C15 | C16 | 7.4° | 51.4° |
| C11 | C14 | C15 | O8 | 120.5° | 119.7° |
| C11 | C14 | C15 | H17 | 120.6° | 119.7° |
| C11 | C14 | O8 | H17 | 117.6° | 120.6° |
| C11 | C14 | C15 | O9 | 128.9° | 171.7° |
| C14 | C11 | O7 | H14 | 55.3° | 60.0° |
| C14 | C11 | C12 | H16 | 177.9° | 171.3° |
| C11 | C14 | O8 | H18 | 180.0° | 180.0° |
| C11 | C14 | C15 | H19 | 111.7° | 68.9° |
| C16 | C15 | C14 | O9 | 121.5° | 120.3° |
| C16 | C15 | C14 | H19 | 119.1° | 120.3° |
| C16 | C15 | C14 | O8 | 127.8° | 171.1° |
| C16 | C15 | O9 | H19 | 119.0° | 119.4° |
| C16 | C15 | C14 | H17 | 113.2° | 68.3° |
| C16 | C15 | O9 | H20 | 180.0° | 58.8° |
| C15 | C16 | C17 | H21 | 0.2° | 0.3° |
| N4 | C4 | C1 | N1 | 179.8° | 179.9° |
| N4 | C4 | C1 | O1 | 0.1° | 0.4° |
| C4 | N4 | C5 | H3 | 179.2° | 180.0° |
| C4 | C1 | N1 | C2 | 0.0° | 0.3° |
| C4 | C1 | N1 | O1 | 179.9° | 179.7° |
| C4 | C1 | N1 | H1 | 180.0° | 179.7° |
| N2 | C2 | N1 | C1 | 179.8° | 180.0° |
| N2 | C2 | N1 | H1 | 0.2° | 0.0° |
| C2 | N2 | C12 | H16 | 8.6° | 35.6° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 179.9° | 180.0° |
| N1 | C2 | N2 | H2 | 0.7° | 0.0° |
| C15 | C14 | O8 | H17 | 118.1° | 120.6° |
| C14 | C15 | O9 | H19 | 118.6° | 119.4° |
| C15 | C14 | C11 | H15 | 171.4° | 170.3° |
| C15 | C14 | O8 | H18 | 55.7° | 61.2° |
| C14 | C15 | O9 | H20 | 57.6° | 180.0° |
| O8 | C14 | C15 | O9 | 110.6° | 68.6° |
| O8 | C14 | C11 | H15 | 67.5° | 50.5° |
| O8 | C14 | C15 | H19 | 8.8° | 50.8° |
| O9 | C15 | C14 | H17 | 8.3° | 52.0° |
| O1 | C1 | N1 | H1 | 0.1° | 0.0° |
| H2 | N2 | C12 | H16 | 171.4° | 144.4° |
| H4 | C6 | C7 | H5 | 149.7° | 23.7° |
| H4 | C6 | C7 | H6 | 27.1° | 146.2° |
| H5 | C7 | C8 | H7 | 33.3° | 122.8° |
| H6 | C7 | C8 | H7 | 89.2° | 0.1° |
| H7 | C8 | O3 | H8 | 57.4° | 57.4° |
| H7 | C8 | C9 | H9 | 95.8° | 146.4° |
| H9 | C9 | C10 | H10 | 63.9° | 67.3° |
| H9 | C9 | C10 | H11 | 56.6° | 172.7° |
| H13 | O6 | P1 | O3P | 100.3° | 60.0° |
| H14 | O7 | C11 | H15 | 62.1° | 60.6° |
| H15 | C11 | C12 | H16 | 64.4° | 69.0° |
| H15 | C11 | C14 | H17 | 50.9° | 70.0° |
| H17 | C14 | O8 | H18 | 62.4° | 59.4° |
| H17 | C14 | C15 | H19 | 127.7° | 171.4° |
| H19 | C15 | O9 | H20 | 61.0° | 60.5° |
| H22 | C21 | C22 | H23 | 0.6° | 0.0° |
| H24 | C25 | C26 | H25 | 0.1° | 0.1° |
| H26 | C27 | C30 | H28 | 0.3° | 0.0° |
| H27 | C29 | C30 | H28 | 0.3° | 0.0° |
