OKX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | P3 | doub | 1.48Å | 1.50Å | |
| O10 | P3 | sing | 1.61Å | 1.51Å | |
| O7 | P3 | sing | 1.61Å | 1.61Å | |
| O7 | P2 | sing | 1.61Å | 1.59Å | |
| P3 | O9 | sing | 1.61Å | 1.51Å | |
| O6 | P2 | doub | 1.48Å | 1.50Å | |
| P2 | C8 | sing | 1.82Å | 1.82Å | |
| P2 | O5 | sing | 1.61Å | 1.50Å | |
| O1 | C6 | sing | 1.44Å | 1.45Å | |
| O1 | C5 | sing | 1.44Å | 1.41Å | |
| C8 | P1 | sing | 1.82Å | 1.82Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | C9 | sing | 1.54Å | 1.53Å | |
| C4 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | N4 | sing | 1.46Å | 1.46Å | |
| C5 | C10 | sing | 1.55Å | 1.52Å | |
| N4 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| O11 | C9 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | N2 | sing | 1.34Å | 1.35Å | |
| C3 | C21 | sing | 1.41Å | 1.42Å | |
| O2 | P1 | sing | 1.61Å | 1.58Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| P1 | O4 | doub | 1.48Å | 1.50Å | |
| P1 | O3 | sing | 1.61Å | 1.50Å | |
| N2 | C1 | doub | 1.31Å | 1.33Å | |
| C21 | O19 | doub | 1.22Å | 1.24Å | |
| C21 | N10 | sing | 1.35Å | 1.40Å | |
| C1 | N10 | sing | 1.36Å | 1.37Å | |
| C1 | N1 | sing | 1.37Å | 1.34Å | |
| C10 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | P4 | sing | 1.61Å | 1.61Å | |
| O14 | P4 | doub | 1.48Å | 1.50Å | |
| O18 | C20 | sing | 1.43Å | 1.42Å | |
| P4 | O13 | sing | 1.61Å | 1.50Å | |
| P4 | O15 | sing | 1.61Å | 1.61Å | |
| N6 | C14 | doub | 1.30Å | 1.31Å | Aromatic |
| N6 | C15 | sing | 1.35Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.55Å | 1.53Å | |
| C20 | C12 | sing | 1.54Å | 1.53Å | |
| N7 | C16 | sing | 1.38Å | 1.33Å | |
| C14 | N5 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| O15 | C11 | sing | 1.43Å | 1.45Å | |
| C19 | O17 | sing | 1.43Å | 1.41Å | |
| C19 | C13 | sing | 1.55Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| N5 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| N5 | C13 | sing | 1.46Å | 1.46Å | |
| C12 | O16 | sing | 1.44Å | 1.45Å | |
| C18 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| N8 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | O16 | sing | 1.44Å | 1.41Å | |
| C17 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| O9 | H12 | sing | 0.97Å | 0.95Å | |
| O10 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| O13 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| O17 | H27 | sing | 0.97Å | 0.95Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| O18 | H29 | sing | 0.97Å | 0.95Å | |
| N10 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | P3 | O10 | 112.8° | 109.5° |
| O8 | P3 | O7 | 106.0° | 109.5° |
| O8 | P3 | O9 | 112.5° | 109.4° |
| O10 | P3 | O7 | 105.7° | 109.4° |
| O10 | P3 | O9 | 112.8° | 109.5° |
| P3 | O10 | H13 | 109.5° | 114.0° |
| P3 | O7 | P2 | 133.4° | 134.0° |
| O7 | P3 | O9 | 106.4° | 109.5° |
| O7 | P2 | O6 | 109.3° | 109.5° |
| O7 | P2 | C8 | 105.1° | 109.5° |
| O7 | P2 | O5 | 110.1° | 109.5° |
| P3 | O9 | H12 | 109.5° | 114.0° |
| O6 | P2 | C8 | 107.7° | 109.5° |
| O6 | P2 | O5 | 115.9° | 109.5° |
| C8 | P2 | O5 | 108.3° | 109.5° |
| P2 | C8 | P1 | 116.3° | 109.5° |
| P2 | C8 | H9 | 107.7° | 109.5° |
| P2 | C8 | H10 | 107.7° | 109.5° |
| P2 | O5 | H11 | 109.5° | 113.9° |
| C6 | O1 | C5 | 110.7° | 107.0° |
| O1 | C6 | C7 | 109.1° | 109.8° |
| O1 | C6 | C9 | 105.8° | 107.3° |
| O1 | C6 | H5 | 109.2° | 109.9° |
| O1 | C5 | N4 | 107.3° | 110.6° |
| O1 | C5 | C10 | 107.9° | 103.5° |
| O1 | C5 | H4 | 110.0° | 110.7° |
| C8 | P1 | O2 | 103.6° | 109.5° |
| C8 | P1 | O4 | 109.1° | 109.5° |
| C8 | P1 | O3 | 107.6° | 109.5° |
| P1 | C8 | H9 | 107.7° | 109.4° |
| P1 | C8 | H10 | 107.7° | 109.4° |
| C6 | C7 | O2 | 109.6° | 109.5° |
| C7 | C6 | C9 | 116.1° | 109.8° |
| C7 | C6 | H5 | 108.4° | 110.0° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C7 | O2 | P1 | 121.4° | 123.0° |
| O2 | C7 | H6 | 109.4° | 109.4° |
| O2 | C7 | H7 | 109.4° | 109.5° |
| C6 | C9 | O11 | 110.7° | 110.5° |
| C6 | C9 | C10 | 103.6° | 104.2° |
| C9 | C6 | H5 | 108.1° | 109.9° |
| C6 | C9 | H14 | 109.4° | 110.5° |
| N4 | C4 | N3 | 112.4° | 109.8° |
| C4 | N4 | C5 | 127.1° | 126.3° |
| C4 | N4 | C2 | 106.9° | 107.5° |
| N4 | C4 | H3 | 123.8° | 125.1° |
| C4 | N3 | C3 | 104.5° | 109.3° |
| N3 | C4 | H3 | 123.8° | 125.1° |
| N4 | C5 | C10 | 114.0° | 110.7° |
| C5 | N4 | C2 | 126.0° | 126.2° |
| N4 | C5 | H4 | 109.3° | 110.6° |
| C5 | C10 | C9 | 102.7° | 102.1° |
| C5 | C10 | O12 | 111.3° | 110.9° |
| C10 | C5 | H4 | 108.4° | 110.6° |
| C5 | C10 | H16 | 111.0° | 110.9° |
| N4 | C2 | C3 | 105.6° | 106.1° |
| N4 | C2 | N2 | 125.9° | 134.2° |
| N3 | C3 | C2 | 110.5° | 107.3° |
| N3 | C3 | C21 | 130.1° | 134.1° |
| O11 | C9 | C10 | 112.4° | 110.5° |
| O11 | C9 | H14 | 111.0° | 110.5° |
| C9 | O11 | H15 | 109.5° | 114.0° |
| C3 | C2 | N2 | 128.5° | 119.7° |
| C2 | C3 | C21 | 119.4° | 118.6° |
| C2 | N2 | C1 | 111.9° | 121.2° |
| C3 | C21 | O19 | 128.3° | 120.8° |
| C3 | C21 | N10 | 111.3° | 118.3° |
| O2 | P1 | O4 | 109.2° | 109.5° |
| O2 | P1 | O3 | 110.0° | 109.5° |
| C9 | C10 | O12 | 107.7° | 110.9° |
| C10 | C9 | H14 | 109.5° | 110.5° |
| C9 | C10 | H16 | 111.0° | 110.9° |
| O4 | P1 | O3 | 116.5° | 109.4° |
| P1 | O3 | H8 | 109.5° | 114.0° |
| N2 | C1 | N10 | 123.6° | 121.9° |
| N2 | C1 | N1 | 119.9° | 119.1° |
| O19 | C21 | N10 | 120.4° | 120.8° |
| C21 | N10 | C1 | 125.3° | 120.3° |
| C21 | N10 | H30 | 117.3° | 119.8° |
| N10 | C1 | N1 | 116.6° | 119.0° |
| C1 | N10 | H30 | 117.4° | 119.9° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C10 | O12 | P4 | 115.0° | 123.0° |
| O12 | C10 | H16 | 112.6° | 110.8° |
| O12 | P4 | O14 | 110.1° | 109.5° |
| O12 | P4 | O13 | 108.7° | 109.5° |
| O12 | P4 | O15 | 103.0° | 109.4° |
| O14 | P4 | O13 | 117.5° | 109.5° |
| O14 | P4 | O15 | 108.9° | 109.5° |
| O18 | C20 | C19 | 111.3° | 110.5° |
| O18 | C20 | C12 | 111.8° | 110.5° |
| O18 | C20 | H28 | 111.4° | 110.6° |
| C20 | O18 | H29 | 109.5° | 114.0° |
| O13 | P4 | O15 | 107.5° | 109.4° |
| P4 | O13 | H17 | 109.5° | 114.0° |
| P4 | O15 | C11 | 120.1° | 122.9° |
| C14 | N6 | C15 | 104.3° | 109.4° |
| N6 | C14 | N5 | 113.4° | 110.0° |
| N6 | C14 | H22 | 123.3° | 125.0° |
| N6 | C15 | C16 | 132.3° | 134.7° |
| N6 | C15 | C18 | 110.4° | 107.2° |
| C19 | C20 | C12 | 102.4° | 104.2° |
| C20 | C19 | O17 | 113.2° | 110.9° |
| C20 | C19 | C13 | 101.7° | 102.1° |
| C20 | C19 | H26 | 109.6° | 110.9° |
| C19 | C20 | H28 | 109.9° | 110.5° |
| C20 | C12 | C11 | 116.0° | 109.9° |
| C20 | C12 | O16 | 105.4° | 107.3° |
| C20 | C12 | H20 | 108.3° | 110.0° |
| C12 | C20 | H28 | 109.8° | 110.5° |
| N7 | C16 | C15 | 123.9° | 120.8° |
| N7 | C16 | N8 | 118.7° | 120.7° |
| C16 | N7 | H23 | 109.5° | 120.0° |
| C16 | N7 | H24 | 109.4° | 120.0° |
| C14 | N5 | C18 | 106.0° | 107.4° |
| C14 | N5 | C13 | 127.3° | 126.3° |
| N5 | C14 | H22 | 123.3° | 125.0° |
| C16 | C15 | C18 | 117.3° | 118.2° |
| C15 | C16 | N8 | 117.4° | 118.5° |
| C15 | C18 | N5 | 105.9° | 106.0° |
| C15 | C18 | N9 | 126.6° | 119.1° |
| C16 | N8 | C17 | 118.6° | 121.1° |
| O15 | C11 | C12 | 109.2° | 109.4° |
| O15 | C11 | H18 | 109.5° | 109.5° |
| O15 | C11 | H19 | 109.6° | 109.5° |
| O17 | C19 | C13 | 111.0° | 110.9° |
| O17 | C19 | H26 | 111.3° | 110.8° |
| C19 | O17 | H27 | 109.5° | 114.0° |
| C19 | C13 | N5 | 113.4° | 110.8° |
| C19 | C13 | O16 | 106.9° | 103.5° |
| C19 | C13 | H21 | 108.3° | 110.6° |
| C13 | C19 | H26 | 109.6° | 110.9° |
| C11 | C12 | O16 | 109.0° | 109.8° |
| C12 | C11 | H18 | 109.6° | 109.5° |
| C12 | C11 | H19 | 109.5° | 109.4° |
| C11 | C12 | H20 | 108.6° | 109.9° |
| C18 | N5 | C13 | 126.7° | 126.3° |
| N5 | C18 | N9 | 127.6° | 134.9° |
| N5 | C13 | O16 | 109.0° | 110.6° |
| N5 | C13 | H21 | 109.2° | 110.6° |
| C12 | O16 | C13 | 110.5° | 107.0° |
| O16 | C12 | H20 | 109.4° | 109.9° |
| C18 | N9 | C17 | 110.9° | 120.7° |
| N8 | C17 | N9 | 129.2° | 122.4° |
| N8 | C17 | H25 | 115.4° | 118.7° |
| O16 | C13 | H21 | 109.9° | 110.6° |
| N9 | C17 | H25 | 115.4° | 118.8° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H23 | N7 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | P3 | O10 | O7 | 115.3° | 120.0° |
| O8 | P3 | O10 | O9 | 128.9° | 120.0° |
| O8 | P3 | O7 | O9 | 120.0° | 120.0° |
| O8 | P3 | O7 | P2 | 123.3° | 45.0° |
| O8 | P3 | O9 | H12 | 0.0° | 60.0° |
| O8 | P3 | O10 | H13 | 0.0° | 180.0° |
| O10 | P3 | O7 | O9 | 120.1° | 120.0° |
| O10 | P3 | O7 | P2 | 116.8° | 75.0° |
| O10 | P3 | O9 | H12 | 129.0° | 60.0° |
| P3 | O7 | P2 | O6 | 151.2° | 60.0° |
| P3 | O7 | P2 | C8 | 93.5° | 180.0° |
| P3 | O7 | P2 | O5 | 22.9° | 60.0° |
| O7 | P3 | O9 | H12 | 115.6° | 180.0° |
| O7 | P3 | O10 | H13 | 115.3° | 60.0° |
| P2 | O7 | P3 | O9 | 3.3° | 165.0° |
| O7 | P2 | O6 | C8 | 113.6° | 120.0° |
| O7 | P2 | O6 | O5 | 125.0° | 120.0° |
| O7 | P2 | C8 | O5 | 117.6° | 120.0° |
| O7 | P2 | C8 | P1 | 95.2° | 180.0° |
| O7 | P2 | C8 | H9 | 25.8° | 60.0° |
| O7 | P2 | C8 | H10 | 143.8° | 60.0° |
| O7 | P2 | O5 | H11 | 124.6° | 60.0° |
| O9 | P3 | O10 | H13 | 128.9° | 60.0° |
| O6 | P2 | C8 | O5 | 126.0° | 120.0° |
| O6 | P2 | C8 | P1 | 148.5° | 60.0° |
| O6 | P2 | C8 | H9 | 90.5° | 60.0° |
| O6 | P2 | C8 | H10 | 27.4° | 180.0° |
| O6 | P2 | O5 | H11 | 0.0° | 180.0° |
| P2 | C8 | P1 | H9 | 121.0° | 120.0° |
| P2 | C8 | P1 | H10 | 121.0° | 120.1° |
| P2 | C8 | P1 | O2 | 145.7° | 180.0° |
| P2 | C8 | P1 | O4 | 29.5° | 60.0° |
| P2 | C8 | P1 | O3 | 97.7° | 60.0° |
| P2 | C8 | H9 | H10 | 116.8° | 120.1° |
| C8 | P2 | O5 | H11 | 121.0° | 60.0° |
| O5 | P2 | C8 | P1 | 22.4° | 60.0° |
| O5 | P2 | C8 | H9 | 143.4° | 180.0° |
| O5 | P2 | C8 | H10 | 98.6° | 60.0° |
| O1 | C6 | C7 | C9 | 119.3° | 117.8° |
| O1 | C6 | C7 | H5 | 118.8° | 121.1° |
| O1 | C6 | C7 | O2 | 119.1° | 66.5° |
| O1 | C6 | C9 | H5 | 116.9° | 119.5° |
| C6 | O1 | C5 | N4 | 133.1° | 158.6° |
| C6 | O1 | C5 | C10 | 9.9° | 40.0° |
| O1 | C6 | C9 | O11 | 95.6° | 120.7° |
| O1 | C6 | C9 | C10 | 25.1° | 2.1° |
| C6 | O1 | C5 | H4 | 108.1° | 78.5° |
| O1 | C6 | C7 | H6 | 0.9° | 173.6° |
| O1 | C6 | C7 | H7 | 120.9° | 53.5° |
| O1 | C6 | C9 | H14 | 141.9° | 116.7° |
| C5 | O1 | C6 | C7 | 115.8° | 145.9° |
| C5 | O1 | C6 | C9 | 9.7° | 26.5° |
| O1 | C5 | N4 | C4 | 114.2° | 19.0° |
| O1 | C5 | N4 | C10 | 119.3° | 114.1° |
| O1 | C5 | N4 | H4 | 119.2° | 123.0° |
| O1 | C5 | C10 | H4 | 119.0° | 118.6° |
| O1 | C5 | N4 | C2 | 64.5° | 160.9° |
| O1 | C5 | C10 | C9 | 25.3° | 37.0° |
| O1 | C5 | C10 | O12 | 140.3° | 155.2° |
| C5 | O1 | C6 | H5 | 125.9° | 92.9° |
| O1 | C5 | C10 | H16 | 93.5° | 81.2° |
| C8 | P1 | O2 | C7 | 13.8° | 175.0° |
| C8 | P1 | O2 | O4 | 116.2° | 120.0° |
| C8 | P1 | O2 | O3 | 114.8° | 120.0° |
| C8 | P1 | O4 | O3 | 122.0° | 120.0° |
| C8 | P1 | O3 | H8 | 122.8° | 60.0° |
| P1 | C8 | H9 | H10 | 116.9° | 119.9° |
| C6 | C7 | O2 | H6 | 120.0° | 120.0° |
| C6 | C7 | O2 | H7 | 120.0° | 120.0° |
| C7 | C6 | C9 | H5 | 122.1° | 121.1° |
| C7 | C6 | C9 | O11 | 143.4° | 119.9° |
| C6 | C7 | O2 | P1 | 164.7° | 180.0° |
| C7 | C6 | C9 | C10 | 96.0° | 121.4° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | C9 | H14 | 20.8° | 2.7° |
| O2 | C7 | C6 | C9 | 0.2° | 175.7° |
| C7 | O2 | P1 | O4 | 102.4° | 55.0° |
| C7 | O2 | P1 | O3 | 128.6° | 65.0° |
| O2 | C7 | C6 | H5 | 122.1° | 54.6° |
| O2 | C7 | H6 | H7 | 119.9° | 120.0° |
| C6 | C9 | C10 | C5 | 30.0° | 20.9° |
| C6 | C9 | O11 | C10 | 115.3° | 114.8° |
| C6 | C9 | O11 | H14 | 121.6° | 122.6° |
| C6 | C9 | C10 | H14 | 116.6° | 118.7° |
| C6 | C9 | C10 | O12 | 147.6° | 139.0° |
| C9 | C6 | C7 | H6 | 120.3° | 55.8° |
| C9 | C6 | C7 | H7 | 119.8° | 64.3° |
| C6 | C9 | O11 | H15 | 180.0° | 61.5° |
| C6 | C9 | C10 | H16 | 88.7° | 97.3° |
| N4 | C4 | N3 | H3 | 180.0° | 179.9° |
| C4 | N4 | C5 | C2 | 178.7° | 179.9° |
| C4 | N4 | C5 | C10 | 126.4° | 95.0° |
| N4 | C4 | N3 | C3 | 0.4° | 0.1° |
| C4 | N4 | C2 | C3 | 0.5° | 0.1° |
| C4 | N4 | C2 | N2 | 179.8° | 180.0° |
| C4 | N4 | C5 | H4 | 5.0° | 142.0° |
| N3 | C4 | N4 | C5 | 179.5° | 180.0° |
| N3 | C4 | N4 | C2 | 0.6° | 0.1° |
| C4 | N3 | C3 | C2 | 0.1° | 0.0° |
| C4 | N3 | C3 | C21 | 179.9° | 179.9° |
| N4 | C5 | C10 | H4 | 121.9° | 122.9° |
| C5 | N4 | C2 | C3 | 179.4° | 180.0° |
| C5 | N4 | C2 | N2 | 0.8° | 0.1° |
| N4 | C5 | C10 | C9 | 144.3° | 155.5° |
| N4 | C5 | C10 | O12 | 100.7° | 86.3° |
| C5 | N4 | C4 | H3 | 0.5° | 0.1° |
| N4 | C5 | C10 | H16 | 25.6° | 37.3° |
| C10 | C5 | N4 | C2 | 54.9° | 85.1° |
| C5 | C10 | C9 | O11 | 89.5° | 97.8° |
| C5 | C10 | C9 | O12 | 117.5° | 118.2° |
| C5 | C10 | C9 | H16 | 118.7° | 118.2° |
| C5 | C10 | O12 | H16 | 125.4° | 123.6° |
| C5 | C10 | O12 | P4 | 93.5° | 120.0° |
| C5 | C10 | C9 | H14 | 146.6° | 139.6° |
| N4 | C2 | C3 | N3 | 0.3° | 0.0° |
| N4 | C2 | C3 | N2 | 179.7° | 179.9° |
| N4 | C2 | C3 | C21 | 179.7° | 180.0° |
| N4 | C2 | N2 | C1 | 179.8° | 180.0° |
| C2 | N4 | C4 | H3 | 179.4° | 180.0° |
| C2 | N4 | C5 | H4 | 176.3° | 37.9° |
| N3 | C3 | C2 | C21 | 180.0° | 179.9° |
| N3 | C3 | C2 | N2 | 180.0° | 179.9° |
| N3 | C3 | C21 | O19 | 0.0° | 0.1° |
| N3 | C3 | C21 | N10 | 180.0° | 179.9° |
| C3 | N3 | C4 | H3 | 179.6° | 179.9° |
| O11 | C9 | C10 | H14 | 123.9° | 122.6° |
| O11 | C9 | C10 | O12 | 28.0° | 20.4° |
| O11 | C9 | C6 | H5 | 21.3° | 1.3° |
| O11 | C9 | C10 | H16 | 151.8° | 144.0° |
| C3 | C2 | N2 | C1 | 0.1° | 0.1° |
| C2 | C3 | C21 | O19 | 180.0° | 180.0° |
| C2 | C3 | C21 | N10 | 0.0° | 0.1° |
| N2 | C2 | C3 | C21 | 0.0° | 0.1° |
| C2 | N2 | C1 | N10 | 0.2° | 0.1° |
| C2 | N2 | C1 | N1 | 179.8° | 179.7° |
| C3 | C21 | O19 | N10 | 179.9° | 179.9° |
| C3 | C21 | N10 | C1 | 0.1° | 0.1° |
| C3 | C21 | N10 | H30 | 180.0° | 179.6° |
| O2 | P1 | O4 | O3 | 125.3° | 120.0° |
| P1 | O2 | C7 | H6 | 75.3° | 60.0° |
| P1 | O2 | C7 | H7 | 44.6° | 60.0° |
| O2 | P1 | O3 | H8 | 125.0° | 60.0° |
| O2 | P1 | C8 | H9 | 24.7° | 59.9° |
| O2 | P1 | C8 | H10 | 93.3° | 59.9° |
| C9 | C10 | O12 | H16 | 122.8° | 123.7° |
| C9 | C10 | O12 | P4 | 154.6° | 127.3° |
| C9 | C10 | C5 | H4 | 93.7° | 81.6° |
| C10 | C9 | C6 | H5 | 142.0° | 117.4° |
| C10 | C9 | O11 | H15 | 64.7° | 176.3° |
| O4 | P1 | O3 | H8 | 0.0° | 180.0° |
| O4 | P1 | C8 | H9 | 91.5° | 180.0° |
| O4 | P1 | C8 | H10 | 150.4° | 60.1° |
| O3 | P1 | C8 | H9 | 141.3° | 60.1° |
| O3 | P1 | C8 | H10 | 23.2° | 179.9° |
| N2 | C1 | N10 | C21 | 0.2° | 0.1° |
| N2 | C1 | N10 | N1 | 179.6° | 179.6° |
| N2 | C1 | N1 | H1 | 0.0° | 179.7° |
| N2 | C1 | N1 | H2 | 180.0° | 0.0° |
| N2 | C1 | N10 | H30 | 179.8° | 179.7° |
| O19 | C21 | N10 | C1 | 179.9° | 180.0° |
| O19 | C21 | N10 | H30 | 0.1° | 0.2° |
| C21 | N10 | C1 | H30 | 180.0° | 179.8° |
| C21 | N10 | C1 | N1 | 179.8° | 179.7° |
| N10 | C1 | N1 | H1 | 179.6° | 0.1° |
| N10 | C1 | N1 | H2 | 0.4° | 179.7° |
| C1 | N1 | H1 | H2 | 180.0° | 179.8° |
| N1 | C1 | N10 | H30 | 0.3° | 0.0° |
| C10 | O12 | P4 | O14 | 33.2° | 55.0° |
| C10 | O12 | P4 | O13 | 163.3° | 65.0° |
| C10 | O12 | P4 | O15 | 82.8° | 175.0° |
| O12 | C10 | C5 | H4 | 21.3° | 36.6° |
| O12 | C10 | C9 | H14 | 95.8° | 102.2° |
| O12 | P4 | O14 | O13 | 125.2° | 120.0° |
| O12 | P4 | O14 | O15 | 112.3° | 120.0° |
| O12 | P4 | O13 | O15 | 110.9° | 119.9° |
| O12 | P4 | O15 | C11 | 31.0° | 175.0° |
| P4 | O12 | C10 | H16 | 31.9° | 3.6° |
| O12 | P4 | O13 | H17 | 125.9° | 60.0° |
| O14 | P4 | O13 | O15 | 123.2° | 120.1° |
| O14 | P4 | O15 | C11 | 147.9° | 55.0° |
| O14 | P4 | O13 | H17 | 0.0° | 180.0° |
| O18 | C20 | C19 | C12 | 119.6° | 118.6° |
| O18 | C20 | C19 | H28 | 123.8° | 122.7° |
| O18 | C20 | C12 | H28 | 124.1° | 122.7° |
| O18 | C20 | C19 | O17 | 35.8° | 20.4° |
| O18 | C20 | C19 | C13 | 154.9° | 97.8° |
| O18 | C20 | C12 | C11 | 91.8° | 119.9° |
| O18 | C20 | C12 | O16 | 147.6° | 120.7° |
| O18 | C20 | C12 | H20 | 30.6° | 1.2° |
| O18 | C20 | C19 | H26 | 89.1° | 144.0° |
| O13 | P4 | O15 | C11 | 83.8° | 65.1° |
| P4 | O15 | C11 | C12 | 140.8° | 179.9° |
| O15 | P4 | O13 | H17 | 123.2° | 59.9° |
| P4 | O15 | C11 | H18 | 20.8° | 60.1° |
| P4 | O15 | C11 | H19 | 99.2° | 60.0° |
| N6 | C14 | N5 | H22 | 180.0° | 179.9° |
| C14 | N6 | C15 | C16 | 180.0° | 180.0° |
| C14 | N6 | C15 | C18 | 0.2° | 0.0° |
| N6 | C14 | N5 | C18 | 0.5° | 0.0° |
| N6 | C14 | N5 | C13 | 179.9° | 179.7° |
| N6 | C15 | C16 | N7 | 0.1° | 0.0° |
| C15 | N6 | C14 | N5 | 0.4° | 0.0° |
| N6 | C15 | C16 | C18 | 179.8° | 180.0° |
| N6 | C15 | C16 | N8 | 179.9° | 179.9° |
| N6 | C15 | C18 | N5 | 0.1° | 0.0° |
| N6 | C15 | C18 | N9 | 179.9° | 179.9° |
| C15 | N6 | C14 | H22 | 179.5° | 180.0° |
| C19 | C20 | C12 | H28 | 116.7° | 118.7° |
| C20 | C19 | O17 | C13 | 113.6° | 112.8° |
| C20 | C19 | O17 | H26 | 124.0° | 123.6° |
| C20 | C19 | C13 | H26 | 115.9° | 118.2° |
| C19 | C20 | C12 | C11 | 149.0° | 121.5° |
| C20 | C19 | C13 | N5 | 89.2° | 155.5° |
| C19 | C20 | C12 | O16 | 28.4° | 2.1° |
| C20 | C19 | C13 | O16 | 30.9° | 37.0° |
| C19 | C20 | C12 | H20 | 88.6° | 117.4° |
| C20 | C19 | C13 | H21 | 149.3° | 81.4° |
| C20 | C19 | O17 | H27 | 180.0° | 67.3° |
| C19 | C20 | O18 | H29 | 180.0° | 61.5° |
| C20 | C12 | C11 | O15 | 84.2° | 175.7° |
| C12 | C20 | C19 | O17 | 83.8° | 139.1° |
| C12 | C20 | C19 | C13 | 35.3° | 20.9° |
| C20 | C12 | C11 | O16 | 118.7° | 117.8° |
| C20 | C12 | C11 | H20 | 122.2° | 121.2° |
| C20 | C12 | O16 | H20 | 116.2° | 119.6° |
| C20 | C12 | O16 | C13 | 9.5° | 26.6° |
| C20 | C12 | C11 | H18 | 35.8° | 64.3° |
| C20 | C12 | C11 | H19 | 155.9° | 55.8° |
| C12 | C20 | C19 | H26 | 151.3° | 97.4° |
| C12 | C20 | O18 | H29 | 66.1° | 176.2° |
| N7 | C16 | C15 | N8 | 180.0° | 179.9° |
| N7 | C16 | C15 | C18 | 179.9° | 180.0° |
| N7 | C16 | N8 | C17 | 179.9° | 180.0° |
| C16 | N7 | H23 | H24 | 120.0° | 179.9° |
| C14 | N5 | C18 | C15 | 0.3° | 0.0° |
| C14 | N5 | C13 | C19 | 77.6° | 90.3° |
| C14 | N5 | C18 | C13 | 179.4° | 179.7° |
| C14 | N5 | C18 | N9 | 179.9° | 180.0° |
| C14 | N5 | C13 | O16 | 41.4° | 23.8° |
| C14 | N5 | C13 | H21 | 161.4° | 146.7° |
| C16 | C15 | C18 | N5 | 179.8° | 180.0° |
| C16 | C15 | C18 | N9 | 0.0° | 0.0° |
| C15 | C16 | N8 | C17 | 0.1° | 0.0° |
| C15 | C16 | N7 | H23 | 180.0° | 0.1° |
| C15 | C16 | N7 | H24 | 60.0° | 180.0° |
| C18 | C15 | C16 | N8 | 0.1° | 0.0° |
| C15 | C18 | N5 | N9 | 179.8° | 179.9° |
| C15 | C18 | N5 | C13 | 179.7° | 179.7° |
| C15 | C18 | N9 | C17 | 0.0° | 0.0° |
| C16 | N8 | C17 | N9 | 0.1° | 0.0° |
| N8 | C16 | N7 | H23 | 0.0° | 180.0° |
| N8 | C16 | N7 | H24 | 120.0° | 0.1° |
| C16 | N8 | C17 | H25 | 179.9° | 180.0° |
| O15 | C11 | C12 | H18 | 120.0° | 120.0° |
| O15 | C11 | C12 | H19 | 120.0° | 120.0° |
| O15 | C11 | C12 | O16 | 34.5° | 66.5° |
| O15 | C11 | H18 | H19 | 120.1° | 120.1° |
| O15 | C11 | C12 | H20 | 153.6° | 54.5° |
| O17 | C19 | C13 | H26 | 123.4° | 123.5° |
| O17 | C19 | C13 | N5 | 150.2° | 86.2° |
| O17 | C19 | C13 | O16 | 89.7° | 155.3° |
| O17 | C19 | C13 | H21 | 28.7° | 36.8° |
| O17 | C19 | C20 | H28 | 159.6° | 102.2° |
| C19 | C13 | N5 | C18 | 101.7° | 89.4° |
| C19 | C13 | N5 | O16 | 119.0° | 114.1° |
| C19 | C13 | N5 | H21 | 121.0° | 123.0° |
| C19 | C13 | O16 | C12 | 13.7° | 40.1° |
| C19 | C13 | O16 | H21 | 117.4° | 118.5° |
| C13 | C19 | O17 | H27 | 66.4° | 180.0° |
| C13 | C19 | C20 | H28 | 81.3° | 139.6° |
| C11 | C12 | O16 | H20 | 118.6° | 121.0° |
| C11 | C12 | O16 | C13 | 134.7° | 145.9° |
| C12 | C11 | H18 | H19 | 120.1° | 120.0° |
| C11 | C12 | C20 | H28 | 32.3° | 2.7° |
| C18 | N5 | C13 | O16 | 139.3° | 156.5° |
| N5 | C18 | N9 | C17 | 179.8° | 179.9° |
| C18 | N5 | C13 | H21 | 19.3° | 33.6° |
| C18 | N5 | C14 | H22 | 179.5° | 180.0° |
| N5 | C13 | O16 | C12 | 109.3° | 158.8° |
| C13 | N5 | C18 | N9 | 0.5° | 0.2° |
| N5 | C13 | O16 | H21 | 119.6° | 122.9° |
| C13 | N5 | C14 | H22 | 0.1° | 0.2° |
| N5 | C13 | C19 | H26 | 26.7° | 37.3° |
| O16 | C12 | C11 | H18 | 154.5° | 53.5° |
| O16 | C12 | C11 | H19 | 85.4° | 173.5° |
| C12 | O16 | C13 | H21 | 131.1° | 78.4° |
| O16 | C12 | C20 | H28 | 88.3° | 116.6° |
| C18 | N9 | C17 | N8 | 0.0° | 0.0° |
| C18 | N9 | C17 | H25 | 180.0° | 180.0° |
| N8 | C17 | N9 | H25 | 180.0° | 180.0° |
| C13 | O16 | C12 | H20 | 106.7° | 93.1° |
| O16 | C13 | C19 | H26 | 146.9° | 81.2° |
| H4 | C5 | C10 | H16 | 147.5° | 160.2° |
| H5 | C6 | C7 | H6 | 117.9° | 65.3° |
| H5 | C6 | C7 | H7 | 2.1° | 174.6° |
| H5 | C6 | C9 | H14 | 101.3° | 123.9° |
| H14 | C9 | O11 | H15 | 58.4° | 61.1° |
| H14 | C9 | C10 | H16 | 27.9° | 21.4° |
| H18 | C11 | C12 | H20 | 86.4° | 174.5° |
| H19 | C11 | C12 | H20 | 33.7° | 65.5° |
| H20 | C12 | C20 | H28 | 154.7° | 123.9° |
| H21 | C13 | C19 | H26 | 94.7° | 160.3° |
| H26 | C19 | O17 | H27 | 56.0° | 56.4° |
| H26 | C19 | C20 | H28 | 34.7° | 21.3° |
| H28 | C20 | O18 | H29 | 57.1° | 61.2° |
