JYP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | P3 | doub | 1.48Å | 1.51Å | |
| O18 | P3 | sing | 1.61Å | 1.52Å | |
| P3 | O15 | sing | 1.61Å | 1.68Å | |
| P3 | O16 | sing | 1.61Å | 1.51Å | |
| O15 | C7 | sing | 1.43Å | 1.46Å | |
| C6 | O1 | sing | 1.44Å | 1.47Å | |
| C6 | C7 | sing | 1.54Å | 1.49Å | |
| C6 | N5 | sing | 1.47Å | 1.45Å | |
| O1 | C9 | sing | 1.44Å | 1.48Å | |
| C7 | C8 | sing | 1.54Å | 1.46Å | |
| C9 | C8 | sing | 1.55Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C8 | O3 | sing | 1.43Å | 1.46Å | |
| N1 | C1 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| N5 | C2 | sing | 1.37Å | 1.28Å | Aromatic |
| N5 | C5 | sing | 1.36Å | 1.29Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | N4 | doub | 1.30Å | 1.38Å | Aromatic |
| N2 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| C3 | N4 | sing | 1.35Å | 1.54Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.35Å | Aromatic |
| O14 | C12 | sing | 1.43Å | 1.39Å | |
| C4 | N3 | sing | 1.38Å | 1.46Å | |
| O2 | C10 | sing | 1.43Å | 1.42Å | |
| C11 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | O4 | sing | 1.43Å | 1.40Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| O4 | C15 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O5 | C16 | sing | 1.43Å | 1.40Å | |
| O6 | C14 | sing | 1.43Å | 1.41Å | |
| O6 | P1 | sing | 1.61Å | 1.68Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O10 | sing | 1.43Å | 1.39Å | |
| O10 | P2 | sing | 1.61Å | 1.65Å | |
| O8 | P1 | doub | 1.48Å | 1.51Å | |
| P1 | O9 | sing | 1.61Å | 1.51Å | |
| P1 | O7 | sing | 1.61Å | 1.51Å | |
| P2 | O13 | doub | 1.48Å | 1.51Å | |
| P2 | O12 | sing | 1.61Å | 1.51Å | |
| P2 | O11 | sing | 1.61Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å | |
| O9 | H21 | sing | 0.97Å | 0.95Å | |
| O11 | H22 | sing | 0.97Å | 0.95Å | |
| O12 | H23 | sing | 0.97Å | 0.95Å | |
| O14 | H24 | sing | 0.97Å | 0.95Å | |
| O16 | H25 | sing | 0.97Å | 0.95Å | |
| O18 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | P3 | O18 | 109.4° | 109.5° |
| O17 | P3 | O15 | 109.5° | 109.5° |
| O17 | P3 | O16 | 109.5° | 109.5° |
| O18 | P3 | O15 | 109.4° | 109.5° |
| O18 | P3 | O16 | 109.5° | 109.4° |
| P3 | O18 | H26 | 109.5° | 114.0° |
| O15 | P3 | O16 | 109.6° | 109.5° |
| P3 | O15 | C7 | 118.5° | 123.0° |
| P3 | O16 | H25 | 109.5° | 114.0° |
| O15 | C7 | C6 | 109.8° | 110.5° |
| O15 | C7 | C8 | 109.7° | 110.5° |
| O15 | C7 | H6 | 109.9° | 110.5° |
| O1 | C6 | C7 | 108.3° | 104.8° |
| O1 | C6 | N5 | 109.7° | 110.3° |
| C6 | O1 | C9 | 107.4° | 105.3° |
| O1 | C6 | H5 | 109.6° | 110.4° |
| C7 | C6 | N5 | 109.7° | 110.4° |
| C6 | C7 | C8 | 108.0° | 104.1° |
| C7 | C6 | H5 | 109.4° | 110.4° |
| C6 | C7 | H6 | 109.5° | 110.6° |
| C6 | N5 | C2 | 117.9° | 126.2° |
| C6 | N5 | C5 | 117.9° | 126.3° |
| N5 | C6 | H5 | 110.0° | 110.4° |
| O1 | C9 | C8 | 108.2° | 104.8° |
| O1 | C9 | C10 | 109.7° | 110.4° |
| O1 | C9 | H8 | 109.9° | 110.5° |
| C7 | C8 | C9 | 108.0° | 104.1° |
| C7 | C8 | O3 | 109.6° | 110.5° |
| C8 | C7 | H6 | 110.0° | 110.5° |
| C7 | C8 | H7 | 110.1° | 110.5° |
| C8 | C9 | C10 | 109.7° | 110.4° |
| C9 | C8 | O3 | 109.7° | 110.5° |
| C9 | C8 | H7 | 109.5° | 110.6° |
| C8 | C9 | H8 | 109.7° | 110.4° |
| C9 | C10 | O2 | 109.5° | 109.5° |
| C10 | C9 | H8 | 109.6° | 110.3° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C8 | O3 | C11 | 109.6° | 114.0° |
| O3 | C8 | H7 | 109.9° | 110.4° |
| C1 | N1 | C2 | 118.9° | 120.7° |
| N1 | C1 | N2 | 120.1° | 122.5° |
| N1 | C1 | H1 | 120.0° | 118.7° |
| N1 | C2 | N5 | 134.6° | 135.0° |
| N1 | C2 | C3 | 120.9° | 119.0° |
| C1 | N2 | C4 | 121.8° | 121.2° |
| N2 | C1 | H1 | 119.9° | 118.8° |
| C2 | N5 | C5 | 120.1° | 107.5° |
| N5 | C2 | C3 | 103.8° | 106.0° |
| N5 | C5 | N4 | 107.9° | 110.0° |
| N5 | C5 | H4 | 126.0° | 125.0° |
| C2 | C3 | N4 | 106.2° | 107.1° |
| C2 | C3 | C4 | 118.2° | 118.2° |
| C5 | N4 | C3 | 102.0° | 109.5° |
| N4 | C5 | H4 | 126.0° | 125.0° |
| N2 | C4 | C3 | 120.1° | 118.5° |
| N2 | C4 | N3 | 119.7° | 120.7° |
| N4 | C3 | C4 | 134.8° | 134.7° |
| C3 | C4 | N3 | 119.8° | 120.8° |
| O14 | C12 | C11 | 109.4° | 109.5° |
| O14 | C12 | C13 | 109.3° | 109.5° |
| O14 | C12 | H13 | 110.7° | 109.6° |
| C12 | O14 | H24 | 109.5° | 114.0° |
| C4 | N3 | H2 | 109.5° | 119.9° |
| C4 | N3 | H3 | 109.5° | 120.0° |
| O2 | C10 | H9 | 109.5° | 109.5° |
| O2 | C10 | H10 | 109.5° | 109.5° |
| C10 | O2 | H11 | 109.5° | 114.0° |
| O3 | C11 | C12 | 109.3° | 109.5° |
| O3 | C11 | O4 | 109.4° | 109.4° |
| O3 | C11 | H12 | 109.7° | 109.5° |
| C12 | C11 | O4 | 109.8° | 109.4° |
| C11 | C12 | C13 | 109.8° | 109.2° |
| C12 | C11 | H12 | 108.5° | 109.5° |
| C11 | C12 | H13 | 109.0° | 109.6° |
| C11 | O4 | C15 | 115.7° | 114.1° |
| O4 | C11 | H12 | 110.2° | 109.5° |
| C12 | C13 | C14 | 109.8° | 109.1° |
| C12 | C13 | O10 | 109.4° | 109.6° |
| C13 | C12 | H13 | 108.6° | 109.6° |
| C12 | C13 | H14 | 108.7° | 109.6° |
| O4 | C15 | C16 | 109.3° | 109.5° |
| O4 | C15 | C14 | 109.7° | 109.4° |
| O4 | C15 | H16 | 110.5° | 109.5° |
| C16 | C15 | C14 | 109.4° | 109.5° |
| C15 | C16 | O5 | 109.6° | 109.4° |
| C16 | C15 | H16 | 108.9° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C14 | O6 | 109.4° | 109.6° |
| C15 | C14 | C13 | 109.6° | 109.2° |
| C15 | C14 | H15 | 108.9° | 109.5° |
| C14 | C15 | H16 | 109.0° | 109.5° |
| O5 | C16 | H17 | 109.4° | 109.4° |
| O5 | C16 | H18 | 109.5° | 109.5° |
| C16 | O5 | H19 | 109.5° | 114.0° |
| C14 | O6 | P1 | 118.4° | 123.1° |
| O6 | C14 | C13 | 109.3° | 109.6° |
| O6 | C14 | H15 | 110.6° | 109.5° |
| O6 | P1 | O8 | 109.5° | 109.5° |
| O6 | P1 | O9 | 109.5° | 109.4° |
| O6 | P1 | O7 | 109.5° | 109.5° |
| C14 | C13 | O10 | 109.3° | 109.5° |
| C14 | C13 | H14 | 108.9° | 109.6° |
| C13 | C14 | H15 | 108.9° | 109.5° |
| C13 | O10 | P2 | 118.4° | 123.0° |
| O10 | C13 | H14 | 110.8° | 109.6° |
| O10 | P2 | O13 | 109.5° | 109.5° |
| O10 | P2 | O12 | 109.6° | 109.5° |
| O10 | P2 | O11 | 109.5° | 109.5° |
| O8 | P1 | O9 | 109.5° | 109.4° |
| O8 | P1 | O7 | 109.4° | 109.5° |
| O9 | P1 | O7 | 109.5° | 109.5° |
| P1 | O9 | H21 | 109.5° | 114.0° |
| P1 | O7 | H20 | 109.5° | 114.0° |
| O13 | P2 | O12 | 109.4° | 109.5° |
| O13 | P2 | O11 | 109.5° | 109.5° |
| O12 | P2 | O11 | 109.5° | 109.5° |
| P2 | O12 | H23 | 109.5° | 114.1° |
| P2 | O11 | H22 | 109.5° | 114.0° |
| H2 | N3 | H3 | 109.5° | 120.0° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | P3 | O18 | O15 | 120.0° | 120.0° |
| O17 | P3 | O18 | O16 | 119.9° | 120.0° |
| O17 | P3 | O15 | O16 | 120.1° | 120.0° |
| O17 | P3 | O15 | C7 | 87.4° | 55.0° |
| O17 | P3 | O16 | H25 | 0.0° | 180.0° |
| O17 | P3 | O18 | H26 | 0.0° | 59.9° |
| O18 | P3 | O15 | O16 | 120.0° | 119.9° |
| O18 | P3 | O15 | C7 | 152.6° | 175.1° |
| O18 | P3 | O16 | H25 | 119.9° | 60.0° |
| P3 | O15 | C7 | C6 | 113.7° | 121.5° |
| P3 | O15 | C7 | C8 | 4.9° | 123.9° |
| P3 | O15 | C7 | H6 | 125.9° | 1.3° |
| O15 | P3 | O16 | H25 | 120.1° | 59.9° |
| O15 | P3 | O18 | H26 | 119.9° | 180.0° |
| O16 | P3 | O15 | C7 | 32.6° | 65.0° |
| O16 | P3 | O18 | H26 | 120.0° | 60.0° |
| O15 | C7 | C6 | O1 | 120.6° | 142.6° |
| O15 | C7 | C6 | C8 | 119.5° | 118.6° |
| O15 | C7 | C6 | H6 | 120.7° | 122.7° |
| O15 | C7 | C6 | N5 | 119.6° | 98.6° |
| O15 | C7 | C8 | H6 | 120.9° | 122.6° |
| O15 | C7 | C8 | C9 | 120.2° | 118.7° |
| O15 | C7 | C8 | O3 | 120.4° | 122.7° |
| O15 | C7 | C6 | H5 | 1.2° | 23.8° |
| O15 | C7 | C8 | H7 | 0.6° | 0.1° |
| O1 | C6 | C7 | N5 | 119.8° | 118.8° |
| O1 | C6 | C7 | H5 | 119.5° | 118.8° |
| O1 | C6 | N5 | H5 | 120.7° | 122.3° |
| O1 | C6 | C7 | C8 | 1.1° | 24.0° |
| C6 | O1 | C9 | C8 | 0.8° | 40.5° |
| C6 | O1 | C9 | C10 | 120.5° | 159.4° |
| O1 | C6 | N5 | C2 | 40.7° | 156.5° |
| O1 | C6 | N5 | C5 | 161.9° | 23.6° |
| O1 | C6 | C7 | H6 | 118.7° | 94.7° |
| C6 | O1 | C9 | H8 | 118.9° | 78.4° |
| C7 | C6 | N5 | H5 | 120.4° | 122.4° |
| C7 | C6 | O1 | C9 | 1.2° | 40.5° |
| C6 | C7 | C8 | H6 | 119.5° | 118.7° |
| C6 | C7 | C8 | C9 | 0.6° | 0.0° |
| C6 | C7 | C8 | O3 | 120.0° | 118.7° |
| C7 | C6 | N5 | C2 | 159.6° | 88.2° |
| C7 | C6 | N5 | C5 | 43.0° | 91.8° |
| C6 | C7 | C8 | H7 | 119.0° | 118.8° |
| N5 | C6 | O1 | C9 | 120.9° | 159.4° |
| N5 | C6 | C7 | C8 | 120.9° | 142.8° |
| C6 | N5 | C2 | N1 | 13.2° | 0.0° |
| C6 | N5 | C2 | C5 | 156.9° | 180.0° |
| C6 | N5 | C2 | C3 | 156.5° | 180.0° |
| C6 | N5 | C5 | N4 | 156.3° | 179.9° |
| C6 | N5 | C5 | H4 | 23.7° | 0.0° |
| N5 | C6 | C7 | H6 | 1.1° | 24.1° |
| O1 | C9 | C8 | C7 | 0.2° | 24.0° |
| O1 | C9 | C8 | C10 | 119.6° | 118.8° |
| O1 | C9 | C8 | H8 | 119.9° | 118.9° |
| O1 | C9 | C10 | H8 | 120.7° | 122.3° |
| O1 | C9 | C8 | O3 | 119.2° | 94.7° |
| O1 | C9 | C10 | O2 | 50.7° | 69.6° |
| C9 | O1 | C6 | H5 | 118.1° | 78.3° |
| O1 | C9 | C8 | H7 | 120.0° | 142.7° |
| O1 | C9 | C10 | H9 | 170.7° | 170.3° |
| O1 | C9 | C10 | H10 | 69.3° | 50.4° |
| C7 | C8 | C9 | O3 | 119.4° | 118.6° |
| C7 | C8 | C9 | H7 | 119.9° | 118.7° |
| C7 | C8 | C9 | C10 | 119.8° | 142.8° |
| C7 | C8 | O3 | H7 | 121.1° | 122.6° |
| C7 | C8 | O3 | C11 | 98.3° | 150.1° |
| C8 | C7 | C6 | H5 | 118.4° | 94.8° |
| C7 | C8 | C9 | H8 | 119.8° | 95.0° |
| C8 | C9 | C10 | H8 | 120.5° | 122.3° |
| C9 | C8 | O3 | H7 | 120.5° | 122.7° |
| C8 | C9 | C10 | O2 | 169.4° | 175.0° |
| C9 | C8 | O3 | C11 | 143.3° | 95.3° |
| C9 | C8 | C7 | H6 | 118.9° | 118.7° |
| C8 | C9 | C10 | H9 | 70.6° | 55.0° |
| C8 | C9 | C10 | H10 | 49.4° | 65.0° |
| C10 | C9 | C8 | O3 | 0.4° | 24.2° |
| C9 | C10 | O2 | H9 | 120.0° | 120.0° |
| C9 | C10 | O2 | H10 | 120.0° | 119.9° |
| C10 | C9 | C8 | H7 | 120.3° | 98.5° |
| C9 | C10 | H9 | H10 | 120.0° | 119.9° |
| C9 | C10 | O2 | H11 | 180.0° | 180.0° |
| C8 | O3 | C11 | C12 | 120.0° | 170.0° |
| C8 | O3 | C11 | O4 | 119.8° | 70.1° |
| O3 | C8 | C7 | H6 | 0.6° | 0.1° |
| O3 | C8 | C9 | H8 | 120.9° | 146.4° |
| C8 | O3 | C11 | H12 | 1.1° | 50.0° |
| N1 | C1 | N2 | H1 | 180.0° | 179.8° |
| C1 | N1 | C2 | N5 | 168.0° | 180.0° |
| C1 | N1 | C2 | C3 | 0.4° | 0.0° |
| N1 | C1 | N2 | C4 | 1.7° | 0.0° |
| C2 | N1 | C1 | N2 | 1.1° | 0.0° |
| N1 | C2 | N5 | C3 | 169.7° | 180.0° |
| N1 | C2 | N5 | C5 | 170.1° | 180.0° |
| N1 | C2 | C3 | N4 | 171.5° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C1 | H1 | 178.9° | 179.7° |
| C1 | N2 | C4 | C3 | 1.4° | 0.1° |
| C1 | N2 | C4 | N3 | 173.9° | 180.0° |
| C2 | N5 | C5 | N4 | 0.6° | 0.0° |
| N5 | C2 | C3 | N4 | 0.0° | 0.0° |
| N5 | C2 | C3 | C4 | 171.4° | 180.0° |
| C2 | N5 | C5 | H4 | 179.4° | 180.0° |
| C2 | N5 | C6 | H5 | 80.1° | 34.2° |
| C5 | N5 | C2 | C3 | 0.4° | 0.0° |
| N5 | C5 | N4 | H4 | 180.0° | 180.0° |
| N5 | C5 | N4 | C3 | 0.4° | 0.0° |
| C5 | N5 | C6 | H5 | 77.4° | 145.8° |
| C2 | C3 | N4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | N2 | 0.6° | 0.1° |
| C2 | C3 | N4 | C4 | 169.3° | 180.0° |
| C2 | C3 | C4 | N3 | 173.1° | 180.0° |
| C5 | N4 | C3 | C4 | 169.5° | 180.0° |
| N2 | C4 | C3 | N4 | 168.9° | 179.9° |
| N2 | C4 | C3 | N3 | 172.5° | 179.9° |
| C4 | N2 | C1 | H1 | 178.4° | 179.8° |
| N2 | C4 | N3 | H2 | 0.0° | 180.0° |
| N2 | C4 | N3 | H3 | 120.0° | 0.1° |
| N4 | C3 | C4 | N3 | 18.6° | 0.0° |
| C3 | N4 | C5 | H4 | 179.5° | 180.0° |
| C3 | C4 | N3 | H2 | 172.5° | 0.0° |
| C3 | C4 | N3 | H3 | 52.5° | 180.0° |
| O14 | C12 | C11 | O3 | 144.0° | 62.6° |
| O14 | C12 | C11 | C13 | 120.0° | 119.8° |
| O14 | C12 | C11 | H13 | 121.2° | 120.2° |
| O14 | C12 | C11 | O4 | 96.0° | 177.5° |
| O14 | C12 | C13 | H13 | 120.9° | 120.2° |
| O14 | C12 | C13 | C14 | 57.0° | 176.8° |
| O14 | C12 | C13 | O10 | 62.9° | 57.0° |
| O14 | C12 | C11 | H12 | 24.4° | 57.5° |
| O14 | C12 | C13 | H14 | 176.0° | 63.2° |
| C4 | N3 | H2 | H3 | 120.0° | 179.9° |
| O2 | C10 | C9 | H8 | 70.1° | 52.7° |
| O2 | C10 | H9 | H10 | 120.0° | 120.1° |
| O3 | C11 | C12 | O4 | 120.0° | 119.9° |
| O3 | C11 | C12 | H12 | 119.6° | 120.0° |
| O3 | C11 | O4 | H12 | 120.7° | 120.0° |
| O3 | C11 | C12 | C13 | 96.0° | 177.6° |
| O3 | C11 | O4 | C15 | 161.8° | 178.8° |
| C11 | O3 | C8 | H7 | 22.8° | 27.4° |
| O3 | C11 | C12 | H13 | 22.8° | 57.6° |
| C12 | C11 | O4 | H12 | 119.4° | 120.1° |
| C11 | C12 | C13 | H13 | 119.1° | 120.0° |
| C12 | C11 | O4 | C15 | 41.9° | 61.2° |
| C11 | C12 | C13 | C14 | 63.0° | 57.0° |
| C11 | C12 | C13 | O10 | 177.1° | 62.8° |
| C11 | C12 | C13 | H14 | 56.1° | 176.9° |
| C11 | C12 | O14 | H24 | 180.0° | 60.1° |
| O4 | C11 | C12 | C13 | 23.9° | 57.6° |
| C11 | O4 | C15 | C16 | 169.5° | 178.9° |
| C11 | O4 | C15 | C14 | 70.5° | 61.1° |
| O4 | C11 | C12 | H13 | 142.8° | 62.3° |
| C11 | O4 | C15 | H16 | 49.7° | 58.8° |
| C12 | C13 | C14 | C15 | 35.8° | 56.9° |
| C12 | C13 | C14 | O6 | 84.2° | 177.0° |
| C12 | C13 | C14 | O10 | 119.9° | 119.9° |
| C12 | C13 | C14 | H14 | 118.9° | 119.9° |
| C12 | C13 | O10 | H14 | 119.8° | 120.3° |
| C12 | C13 | O10 | P2 | 166.6° | 120.0° |
| C13 | C12 | C11 | H12 | 144.4° | 62.4° |
| C12 | C13 | C14 | H15 | 154.8° | 62.9° |
| C13 | C12 | O14 | H24 | 59.8° | 179.7° |
| O4 | C15 | C16 | C14 | 120.1° | 119.9° |
| O4 | C15 | C16 | H16 | 120.8° | 120.1° |
| O4 | C15 | C14 | H16 | 121.1° | 120.0° |
| O4 | C15 | C16 | O5 | 141.7° | 65.1° |
| O4 | C15 | C14 | O6 | 144.5° | 177.6° |
| O4 | C15 | C14 | C13 | 24.6° | 57.5° |
| C15 | O4 | C11 | H12 | 77.5° | 58.9° |
| O4 | C15 | C14 | H15 | 94.5° | 62.3° |
| O4 | C15 | C16 | H17 | 21.7° | 54.9° |
| O4 | C15 | C16 | H18 | 98.3° | 174.9° |
| C16 | C15 | C14 | H16 | 118.9° | 120.0° |
| C15 | C16 | O5 | H17 | 120.0° | 120.0° |
| C15 | C16 | O5 | H18 | 120.0° | 120.0° |
| C16 | C15 | C14 | O6 | 95.6° | 62.4° |
| C16 | C15 | C14 | C13 | 144.5° | 177.6° |
| C16 | C15 | C14 | H15 | 25.4° | 57.7° |
| C15 | C16 | H17 | H18 | 120.0° | 120.1° |
| C15 | C16 | O5 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | O5 | 98.1° | 175.0° |
| C15 | C14 | O6 | C13 | 120.0° | 119.8° |
| C15 | C14 | O6 | H15 | 120.0° | 120.1° |
| C15 | C14 | O6 | P1 | 119.2° | 120.2° |
| C15 | C14 | C13 | H15 | 119.1° | 119.8° |
| C15 | C14 | C13 | O10 | 155.7° | 62.9° |
| C15 | C14 | C13 | H14 | 83.1° | 176.9° |
| C14 | C15 | C16 | H17 | 141.8° | 65.1° |
| C14 | C15 | C16 | H18 | 21.9° | 55.0° |
| O5 | C16 | C15 | H16 | 20.9° | 55.0° |
| O5 | C16 | H17 | H18 | 119.9° | 120.0° |
| O6 | C14 | C13 | H15 | 121.0° | 120.1° |
| O6 | C14 | C13 | O10 | 35.8° | 57.1° |
| C14 | O6 | P1 | O8 | 92.9° | 54.9° |
| C14 | O6 | P1 | O9 | 147.0° | 65.0° |
| C14 | O6 | P1 | O7 | 27.0° | 175.0° |
| O6 | C14 | C13 | H14 | 156.9° | 63.1° |
| O6 | C14 | C15 | H16 | 23.3° | 57.6° |
| P1 | O6 | C14 | C13 | 120.8° | 120.0° |
| O6 | P1 | O8 | O9 | 120.1° | 120.0° |
| O6 | P1 | O8 | O7 | 120.0° | 120.1° |
| O6 | P1 | O9 | O7 | 120.1° | 120.0° |
| P1 | O6 | C14 | H15 | 0.8° | 0.1° |
| O6 | P1 | O7 | H20 | 120.0° | 179.9° |
| O6 | P1 | O9 | H21 | 120.0° | 60.0° |
| C14 | C13 | O10 | H14 | 120.0° | 120.2° |
| C14 | C13 | O10 | P2 | 73.2° | 120.4° |
| C14 | C13 | C12 | H13 | 177.9° | 63.0° |
| C13 | C14 | C15 | H16 | 96.5° | 62.4° |
| C13 | O10 | P2 | O13 | 142.7° | 54.9° |
| C13 | O10 | P2 | O12 | 22.7° | 65.0° |
| C13 | O10 | P2 | O11 | 97.3° | 175.0° |
| O10 | C13 | C12 | H13 | 58.0° | 177.2° |
| O10 | C13 | C14 | H15 | 85.2° | 177.2° |
| O10 | P2 | O13 | O12 | 120.1° | 120.0° |
| O10 | P2 | O13 | O11 | 120.0° | 120.0° |
| O10 | P2 | O12 | O11 | 120.0° | 120.0° |
| P2 | O10 | C13 | H14 | 46.8° | 0.3° |
| O10 | P2 | O11 | H22 | 120.0° | 179.9° |
| O10 | P2 | O12 | H23 | 120.0° | 60.0° |
| O8 | P1 | O9 | O7 | 119.9° | 120.0° |
| O8 | P1 | O7 | H20 | 0.0° | 60.0° |
| O8 | P1 | O9 | H21 | 0.0° | 180.0° |
| O9 | P1 | O7 | H20 | 120.0° | 59.9° |
| O7 | P1 | O9 | H21 | 119.9° | 60.0° |
| O13 | P2 | O12 | O11 | 120.0° | 120.0° |
| O13 | P2 | O11 | H22 | 0.0° | 60.0° |
| O13 | P2 | O12 | H23 | 0.0° | 180.0° |
| O12 | P2 | O11 | H22 | 119.9° | 60.0° |
| O11 | P2 | O12 | H23 | 120.0° | 60.0° |
| H5 | C6 | C7 | H6 | 121.9° | 146.5° |
| H6 | C7 | C8 | H7 | 121.6° | 122.5° |
| H7 | C8 | C9 | H8 | 0.1° | 23.8° |
| H8 | C9 | C10 | H9 | 49.9° | 67.3° |
| H8 | C9 | C10 | H10 | 169.9° | 172.7° |
| H9 | C10 | O2 | H11 | 60.0° | 60.0° |
| H10 | C10 | O2 | H11 | 60.0° | 60.0° |
| H12 | C11 | C12 | H13 | 96.8° | 177.6° |
| H13 | C12 | C13 | H14 | 63.0° | 57.0° |
| H13 | C12 | O14 | H24 | 59.9° | 60.1° |
| H14 | C13 | C14 | H15 | 35.9° | 57.0° |
| H15 | C14 | C15 | H16 | 144.4° | 177.7° |
| H16 | C15 | C16 | H17 | 99.1° | 174.9° |
| H16 | C15 | C16 | H18 | 140.9° | 65.0° |
| H17 | C16 | O5 | H19 | 59.9° | 60.0° |
| H18 | C16 | O5 | H19 | 60.0° | 60.0° |
