LQJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C18 | sing | 1.38Å | 1.33Å | |
| N9 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N9 | C17 | sing | 1.32Å | 1.48Å | Aromatic |
| C18 | C15 | sing | 1.41Å | 1.34Å | Aromatic |
| C17 | N8 | doub | 1.32Å | 1.48Å | Aromatic |
| C15 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.34Å | Aromatic |
| N7 | C14 | doub | 1.30Å | 1.33Å | Aromatic |
| C16 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C16 | N6 | sing | 1.37Å | 1.34Å | Aromatic |
| C14 | N6 | sing | 1.36Å | 1.33Å | Aromatic |
| N6 | C13 | sing | 1.47Å | 1.51Å | |
| C13 | C19 | sing | 1.54Å | 1.54Å | |
| C13 | O7 | sing | 1.44Å | 1.44Å | |
| O3 | C9 | sing | 1.43Å | 1.44Å | |
| C19 | O8 | sing | 1.44Å | 1.45Å | |
| C19 | C20 | sing | 1.55Å | 1.54Å | |
| O8 | P2 | sing | 1.63Å | 1.60Å | |
| O7 | C12 | sing | 1.44Å | 1.45Å | |
| C4 | N2 | doub | 1.30Å | 1.33Å | Aromatic |
| C4 | N1 | sing | 1.36Å | 1.33Å | Aromatic |
| C9 | C3 | sing | 1.55Å | 1.54Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| N2 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| O5 | P1 | doub | 1.48Å | 1.48Å | |
| C20 | C12 | sing | 1.55Å | 1.54Å | |
| C20 | O9 | sing | 1.44Å | 1.44Å | |
| O6 | P1 | sing | 1.61Å | 1.62Å | |
| O6 | C11 | sing | 1.43Å | 1.43Å | |
| O4 | C10 | sing | 1.43Å | 1.45Å | |
| O4 | P1 | sing | 1.61Å | 1.62Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| P2 | O10 | doub | 1.48Å | 1.48Å | |
| P2 | O11 | sing | 1.61Å | 1.48Å | |
| P2 | O9 | sing | 1.63Å | 1.60Å | |
| N1 | C3 | sing | 1.46Å | 1.50Å | |
| N1 | C6 | sing | 1.37Å | 1.34Å | Aromatic |
| C3 | O2 | sing | 1.44Å | 1.44Å | |
| C5 | C6 | doub | 1.40Å | 1.34Å | Aromatic |
| C5 | C8 | sing | 1.41Å | 1.34Å | Aromatic |
| N5 | C8 | sing | 1.38Å | 1.33Å | |
| C10 | C2 | sing | 1.54Å | 1.53Å | |
| P1 | O12 | sing | 1.61Å | 1.48Å | |
| C6 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | N4 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.48Å | Aromatic |
| N4 | C7 | sing | 1.32Å | 1.48Å | Aromatic |
| O2 | C2 | sing | 1.44Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| O12 | H13 | sing | 0.97Å | 0.95Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C18 | N9 | 120.3° | 120.8° |
| N10 | C18 | C15 | 116.5° | 120.7° |
| C18 | N10 | H23 | 109.5° | 120.0° |
| C18 | N10 | H24 | 109.5° | 120.1° |
| C18 | N9 | C17 | 121.3° | 121.2° |
| N9 | C18 | C15 | 123.2° | 118.4° |
| N9 | C17 | N8 | 110.8° | 122.5° |
| N9 | C17 | H22 | 124.6° | 118.7° |
| C18 | C15 | N7 | 131.1° | 134.7° |
| C18 | C15 | C16 | 121.1° | 118.1° |
| C17 | N8 | C16 | 123.2° | 120.6° |
| N8 | C17 | H22 | 124.6° | 118.8° |
| N7 | C15 | C16 | 107.8° | 107.2° |
| C15 | N7 | C14 | 108.3° | 109.4° |
| C15 | C16 | N8 | 120.4° | 119.1° |
| C15 | C16 | N6 | 107.7° | 106.0° |
| N7 | C14 | N6 | 108.3° | 110.0° |
| N7 | C14 | H21 | 125.9° | 125.0° |
| N8 | C16 | N6 | 131.9° | 134.9° |
| C16 | N6 | C14 | 107.9° | 107.4° |
| C16 | N6 | C13 | 133.0° | 126.3° |
| C14 | N6 | C13 | 119.0° | 126.3° |
| N6 | C14 | H21 | 125.9° | 125.1° |
| N6 | C13 | C19 | 114.9° | 110.4° |
| N6 | C13 | O7 | 113.7° | 110.4° |
| N6 | C13 | H20 | 107.8° | 110.3° |
| C19 | C13 | O7 | 104.0° | 104.8° |
| C13 | C19 | O8 | 109.9° | 108.8° |
| C13 | C19 | C20 | 103.4° | 104.2° |
| C13 | C19 | H19 | 110.7° | 111.8° |
| C19 | C13 | H20 | 107.5° | 110.5° |
| C13 | O7 | C12 | 103.0° | 105.3° |
| O7 | C13 | H20 | 108.7° | 110.4° |
| O3 | C9 | C3 | 112.1° | 110.9° |
| O3 | C9 | C10 | 108.8° | 110.9° |
| O3 | C9 | H7 | 111.9° | 110.8° |
| C9 | O3 | H8 | 109.5° | 114.0° |
| O8 | C19 | C20 | 109.9° | 109.9° |
| C19 | O8 | P2 | 106.9° | 102.9° |
| O8 | C19 | H19 | 112.0° | 110.9° |
| C19 | C20 | C12 | 103.8° | 104.0° |
| C19 | C20 | O9 | 109.5° | 109.9° |
| C19 | C20 | H17 | 110.6° | 111.9° |
| C20 | C19 | H19 | 110.6° | 111.0° |
| O8 | P2 | O10 | 108.2° | 111.0° |
| O8 | P2 | O11 | 106.8° | 111.1° |
| O8 | P2 | O9 | 103.4° | 101.2° |
| O7 | C12 | C20 | 104.8° | 104.9° |
| O7 | C12 | C11 | 112.2° | 110.4° |
| O7 | C12 | H16 | 110.5° | 110.4° |
| N2 | C4 | N1 | 108.2° | 110.0° |
| C4 | N2 | C5 | 108.5° | 109.5° |
| N2 | C4 | H2 | 125.9° | 125.0° |
| C4 | N1 | C3 | 123.6° | 126.3° |
| C4 | N1 | C6 | 107.9° | 107.4° |
| N1 | C4 | H2 | 125.9° | 125.0° |
| C3 | C9 | C10 | 102.6° | 102.0° |
| C9 | C3 | N1 | 116.2° | 110.8° |
| C9 | C3 | O2 | 105.5° | 103.5° |
| C9 | C3 | H6 | 110.0° | 110.7° |
| C3 | C9 | H7 | 110.3° | 110.9° |
| C9 | C10 | O4 | 110.8° | 110.5° |
| C9 | C10 | C2 | 103.3° | 104.2° |
| C10 | C9 | H7 | 110.7° | 110.9° |
| C9 | C10 | H12 | 110.6° | 110.5° |
| N2 | C5 | C6 | 107.3° | 107.1° |
| N2 | C5 | C8 | 131.7° | 134.7° |
| O5 | P1 | O6 | 107.4° | 109.4° |
| O5 | P1 | O4 | 109.1° | 109.5° |
| O5 | P1 | O12 | 119.1° | 109.5° |
| C12 | C20 | O9 | 110.2° | 108.8° |
| C20 | C12 | C11 | 110.5° | 110.3° |
| C20 | C12 | H16 | 109.3° | 110.4° |
| C12 | C20 | H17 | 110.5° | 111.0° |
| C20 | O9 | P2 | 106.8° | 102.9° |
| O9 | C20 | H17 | 112.0° | 111.0° |
| P1 | O6 | C11 | 121.5° | 123.0° |
| O6 | P1 | O4 | 100.7° | 109.5° |
| O6 | P1 | O12 | 109.0° | 109.5° |
| O6 | C11 | C12 | 110.0° | 109.5° |
| O6 | C11 | H14 | 109.3° | 109.4° |
| O6 | C11 | H15 | 109.3° | 109.5° |
| C10 | O4 | P1 | 120.8° | 123.0° |
| O4 | C10 | C2 | 110.1° | 110.5° |
| O4 | C10 | H12 | 111.4° | 110.5° |
| O4 | P1 | O12 | 109.9° | 109.5° |
| C12 | C11 | H14 | 109.3° | 109.5° |
| C12 | C11 | H15 | 109.3° | 109.5° |
| C11 | C12 | H16 | 109.4° | 110.3° |
| O10 | P2 | O11 | 119.7° | 110.9° |
| O10 | P2 | O9 | 109.4° | 111.1° |
| O11 | P2 | O9 | 108.1° | 111.1° |
| P2 | O11 | H18 | 109.5° | 114.1° |
| C3 | N1 | C6 | 128.4° | 126.3° |
| N1 | C3 | O2 | 102.7° | 110.6° |
| N1 | C3 | H6 | 110.6° | 110.6° |
| N1 | C6 | C5 | 108.2° | 106.0° |
| N1 | C6 | N3 | 131.0° | 134.9° |
| C3 | O2 | C2 | 108.8° | 107.0° |
| O2 | C3 | H6 | 111.4° | 110.6° |
| C6 | C5 | C8 | 121.0° | 118.2° |
| C5 | C6 | N3 | 120.8° | 119.1° |
| C5 | C8 | N5 | 117.3° | 120.8° |
| C5 | C8 | N4 | 122.8° | 118.4° |
| N5 | C8 | N4 | 119.9° | 120.8° |
| C8 | N5 | H3 | 109.5° | 120.0° |
| C8 | N5 | H4 | 109.5° | 120.0° |
| C10 | C2 | O2 | 107.3° | 107.4° |
| C10 | C2 | C1 | 111.3° | 109.9° |
| C10 | C2 | H1 | 108.7° | 109.9° |
| C2 | C10 | H12 | 110.3° | 110.5° |
| P1 | O12 | H13 | 109.5° | 114.0° |
| C6 | N3 | C7 | 122.7° | 120.6° |
| C8 | N4 | C7 | 121.3° | 121.2° |
| N3 | C7 | N4 | 111.4° | 122.5° |
| N3 | C7 | H5 | 124.3° | 118.7° |
| N4 | C7 | H5 | 124.3° | 118.8° |
| O2 | C2 | C1 | 111.3° | 109.9° |
| O2 | C2 | H1 | 109.6° | 109.9° |
| C2 | C1 | O1 | 113.0° | 109.5° |
| C1 | C2 | H1 | 108.5° | 109.9° |
| C2 | C1 | H9 | 108.6° | 109.5° |
| C2 | C1 | H10 | 108.6° | 109.5° |
| O1 | C1 | H9 | 108.6° | 109.4° |
| O1 | C1 | H10 | 108.6° | 109.4° |
| C1 | O1 | H11 | 109.5° | 114.0° |
| H3 | N5 | H4 | 109.4° | 120.0° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H23 | N10 | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C18 | N9 | C15 | 179.7° | 180.0° |
| N10 | C18 | N9 | C17 | 179.6° | 180.0° |
| N10 | C18 | C15 | N7 | 0.1° | 0.0° |
| N10 | C18 | C15 | C16 | 179.9° | 180.0° |
| C18 | N10 | H23 | H24 | 120.0° | 180.0° |
| C18 | N9 | C17 | N8 | 0.2° | 0.0° |
| N9 | C18 | C15 | N7 | 179.9° | 180.0° |
| N9 | C18 | C15 | C16 | 0.1° | 0.0° |
| C18 | N9 | C17 | H22 | 179.7° | 180.0° |
| N9 | C18 | N10 | H23 | 0.0° | 0.0° |
| N9 | C18 | N10 | H24 | 120.0° | 180.0° |
| C17 | N9 | C18 | C15 | 0.1° | 0.0° |
| N9 | C17 | N8 | H22 | 180.0° | 180.0° |
| N9 | C17 | N8 | C16 | 0.2° | 0.0° |
| C18 | C15 | N7 | C16 | 180.0° | 180.0° |
| C18 | C15 | N7 | C14 | 179.9° | 180.0° |
| C18 | C15 | C16 | N8 | 0.2° | 0.0° |
| C18 | C15 | C16 | N6 | 179.3° | 180.0° |
| C15 | C18 | N10 | H23 | 179.7° | 180.0° |
| C15 | C18 | N10 | H24 | 60.2° | 0.0° |
| C17 | N8 | C16 | C15 | 0.1° | 0.0° |
| C17 | N8 | C16 | N6 | 179.4° | 179.9° |
| N7 | C15 | C16 | N8 | 179.8° | 180.0° |
| N7 | C15 | C16 | N6 | 0.7° | 0.0° |
| C15 | N7 | C14 | N6 | 0.5° | 0.0° |
| C15 | N7 | C14 | H21 | 179.4° | 180.0° |
| C16 | C15 | N7 | C14 | 0.1° | 0.0° |
| C15 | C16 | N8 | N6 | 179.4° | 180.0° |
| C15 | C16 | N6 | C14 | 1.0° | 0.0° |
| C15 | C16 | N6 | C13 | 177.6° | 180.0° |
| N7 | C14 | N6 | C16 | 0.9° | 0.0° |
| N7 | C14 | N6 | H21 | 180.0° | 180.0° |
| N7 | C14 | N6 | C13 | 178.1° | 180.0° |
| N8 | C16 | N6 | C14 | 179.5° | 180.0° |
| N8 | C16 | N6 | C13 | 2.9° | 0.0° |
| C16 | N8 | C17 | H22 | 179.8° | 180.0° |
| C16 | N6 | C14 | C13 | 177.2° | 180.0° |
| C16 | N6 | C13 | C19 | 3.3° | 85.0° |
| C16 | N6 | C13 | O7 | 116.4° | 159.6° |
| C16 | N6 | C13 | H20 | 123.1° | 37.3° |
| C16 | N6 | C14 | H21 | 179.0° | 180.0° |
| C14 | N6 | C13 | C19 | 173.0° | 95.0° |
| C14 | N6 | C13 | O7 | 67.3° | 20.3° |
| C14 | N6 | C13 | H20 | 53.3° | 142.7° |
| N6 | C13 | C19 | O7 | 125.0° | 118.8° |
| N6 | C13 | C19 | H20 | 119.9° | 122.3° |
| N6 | C13 | O7 | H20 | 120.0° | 122.2° |
| N6 | C13 | C19 | O8 | 86.8° | 100.1° |
| N6 | C13 | C19 | C20 | 155.9° | 142.8° |
| N6 | C13 | O7 | C12 | 171.7° | 159.3° |
| N6 | C13 | C19 | H19 | 37.4° | 22.8° |
| C13 | N6 | C14 | H21 | 1.8° | 0.0° |
| C19 | C13 | O7 | H20 | 114.3° | 118.9° |
| C13 | C19 | O8 | C20 | 113.2° | 113.4° |
| C13 | C19 | O8 | H19 | 123.4° | 123.4° |
| C13 | C19 | C20 | H19 | 118.5° | 120.5° |
| C13 | C19 | O8 | P2 | 120.9° | 135.5° |
| C19 | C13 | O7 | C12 | 45.9° | 40.5° |
| C13 | C19 | C20 | C12 | 5.0° | 0.1° |
| C13 | C19 | C20 | O9 | 112.6° | 116.3° |
| C13 | C19 | C20 | H17 | 123.6° | 119.9° |
| O7 | C13 | C19 | O8 | 148.3° | 141.1° |
| O7 | C13 | C19 | C20 | 31.0° | 24.0° |
| C13 | O7 | C12 | C20 | 42.6° | 40.5° |
| C13 | O7 | C12 | C11 | 162.6° | 159.3° |
| C13 | O7 | C12 | H16 | 75.0° | 78.4° |
| O7 | C13 | C19 | H19 | 87.5° | 96.0° |
| O3 | C9 | C3 | C10 | 116.6° | 118.2° |
| O3 | C9 | C3 | H7 | 125.4° | 123.6° |
| O3 | C9 | C10 | H7 | 123.3° | 123.6° |
| O3 | C9 | C10 | O4 | 33.8° | 20.4° |
| O3 | C9 | C3 | N1 | 96.0° | 86.3° |
| O3 | C9 | C3 | O2 | 151.0° | 155.2° |
| O3 | C9 | C10 | C2 | 151.7° | 139.0° |
| O3 | C9 | C3 | H6 | 30.7° | 36.7° |
| O3 | C9 | C10 | H12 | 90.2° | 102.3° |
| O8 | C19 | C20 | H19 | 124.2° | 123.1° |
| O8 | C19 | C20 | C12 | 122.3° | 116.4° |
| O8 | C19 | C20 | O9 | 4.7° | 0.1° |
| C19 | O8 | P2 | O10 | 100.1° | 84.1° |
| C19 | O8 | P2 | O11 | 129.9° | 152.0° |
| C19 | O8 | P2 | O9 | 15.9° | 33.9° |
| O8 | C19 | C20 | H17 | 119.1° | 123.7° |
| O8 | C19 | C13 | H20 | 33.1° | 22.2° |
| C20 | C19 | O8 | P2 | 7.7° | 22.1° |
| C19 | C20 | C12 | O7 | 22.2° | 23.9° |
| C19 | C20 | C12 | O9 | 117.1° | 117.1° |
| C19 | C20 | C12 | H17 | 118.6° | 120.5° |
| C19 | C20 | O9 | H17 | 123.0° | 124.3° |
| C19 | C20 | C12 | C11 | 143.3° | 142.8° |
| C19 | C20 | O9 | P2 | 14.9° | 22.2° |
| C19 | C20 | C12 | H16 | 96.3° | 95.0° |
| C20 | C19 | C13 | H20 | 84.2° | 94.9° |
| O8 | P2 | O9 | C20 | 18.7° | 34.0° |
| O8 | P2 | O10 | O11 | 122.5° | 124.0° |
| O8 | P2 | O10 | O9 | 112.0° | 111.8° |
| O8 | P2 | O11 | O9 | 110.8° | 111.9° |
| O8 | P2 | O11 | H18 | 123.2° | 64.0° |
| P2 | O8 | C19 | H19 | 115.7° | 101.1° |
| O7 | C12 | C20 | C11 | 121.1° | 118.9° |
| O7 | C12 | C20 | H16 | 118.5° | 118.9° |
| O7 | C12 | C20 | O9 | 139.3° | 141.0° |
| O7 | C12 | C11 | O6 | 23.5° | 68.0° |
| O7 | C12 | C11 | H16 | 123.0° | 122.3° |
| O7 | C12 | C11 | H14 | 96.6° | 172.0° |
| O7 | C12 | C11 | H15 | 143.6° | 52.0° |
| O7 | C12 | C20 | H17 | 96.4° | 96.6° |
| C12 | O7 | C13 | H20 | 68.3° | 78.5° |
| N2 | C4 | N1 | H2 | 180.0° | 180.0° |
| N2 | C4 | N1 | C3 | 178.2° | 180.0° |
| N2 | C4 | N1 | C6 | 2.0° | 0.0° |
| C4 | N2 | C5 | C6 | 0.1° | 0.1° |
| C4 | N2 | C5 | C8 | 179.3° | 179.9° |
| C4 | N1 | C3 | C9 | 130.2° | 90.6° |
| N1 | C4 | N2 | C5 | 1.2° | 0.0° |
| C4 | N1 | C3 | C6 | 175.3° | 180.0° |
| C4 | N1 | C3 | O2 | 115.2° | 23.6° |
| C4 | N1 | C6 | C5 | 2.1° | 0.0° |
| C4 | N1 | C6 | N3 | 179.4° | 180.0° |
| C4 | N1 | C3 | H6 | 3.8° | 146.4° |
| C3 | C9 | C10 | H7 | 117.7° | 118.2° |
| C3 | C9 | C10 | O4 | 85.1° | 97.8° |
| C9 | C3 | N1 | O2 | 114.6° | 114.1° |
| C9 | C3 | N1 | H6 | 126.4° | 123.1° |
| C9 | C3 | N1 | C6 | 54.4° | 89.4° |
| C9 | C3 | O2 | H6 | 119.3° | 118.5° |
| C3 | C9 | C10 | C2 | 32.8° | 20.9° |
| C9 | C3 | O2 | C2 | 21.9° | 39.9° |
| C3 | C9 | O3 | H8 | 180.0° | 61.4° |
| C3 | C9 | C10 | H12 | 150.8° | 139.6° |
| C9 | C10 | O4 | C2 | 113.7° | 114.8° |
| C9 | C10 | O4 | H12 | 123.6° | 122.6° |
| C9 | C10 | O4 | P1 | 163.4° | 120.0° |
| C10 | C9 | C3 | N1 | 147.4° | 155.5° |
| C10 | C9 | C3 | O2 | 34.4° | 37.0° |
| C9 | C10 | C2 | H12 | 118.2° | 118.7° |
| C9 | C10 | C2 | O2 | 20.8° | 2.0° |
| C9 | C10 | C2 | C1 | 101.2° | 121.4° |
| C9 | C10 | C2 | H1 | 139.3° | 117.5° |
| C10 | C9 | C3 | H6 | 85.9° | 81.5° |
| C10 | C9 | O3 | H8 | 67.2° | 174.1° |
| N2 | C5 | C6 | N1 | 1.3° | 0.1° |
| N2 | C5 | C6 | C8 | 179.3° | 179.9° |
| N2 | C5 | C8 | N5 | 0.0° | 0.1° |
| N2 | C5 | C6 | N3 | 180.0° | 180.0° |
| N2 | C5 | C8 | N4 | 179.9° | 179.9° |
| C5 | N2 | C4 | H2 | 178.8° | 179.9° |
| O5 | P1 | O6 | O4 | 114.1° | 120.0° |
| O5 | P1 | O6 | O12 | 130.4° | 120.0° |
| O5 | P1 | O6 | C11 | 116.6° | 55.0° |
| O5 | P1 | O4 | C10 | 176.9° | 55.0° |
| O5 | P1 | O4 | O12 | 132.3° | 120.0° |
| O5 | P1 | O12 | H13 | 0.0° | 179.9° |
| C12 | C20 | O9 | H17 | 123.5° | 122.4° |
| C20 | C12 | C11 | O6 | 93.1° | 176.6° |
| C20 | C12 | C11 | H16 | 120.4° | 122.2° |
| C12 | C20 | O9 | P2 | 128.4° | 135.5° |
| C20 | C12 | C11 | H14 | 146.8° | 56.6° |
| C20 | C12 | C11 | H15 | 27.0° | 63.4° |
| C12 | C20 | C19 | H19 | 113.5° | 120.5° |
| O9 | C20 | C12 | C11 | 99.6° | 100.1° |
| C20 | O9 | P2 | O10 | 96.4° | 84.0° |
| C20 | O9 | P2 | O11 | 131.7° | 152.0° |
| O9 | C20 | C12 | H16 | 20.9° | 22.1° |
| O9 | C20 | C19 | H19 | 128.8° | 123.2° |
| O6 | P1 | O4 | C10 | 64.0° | 175.0° |
| O6 | P1 | O4 | O12 | 114.9° | 120.0° |
| P1 | O6 | C11 | C12 | 155.7° | 180.0° |
| O6 | P1 | O12 | H13 | 123.7° | 60.0° |
| P1 | O6 | C11 | H14 | 84.3° | 60.0° |
| P1 | O6 | C11 | H15 | 35.6° | 60.0° |
| C11 | O6 | P1 | O4 | 129.3° | 175.0° |
| O6 | C11 | C12 | H14 | 120.1° | 120.0° |
| O6 | C11 | C12 | H15 | 120.1° | 120.0° |
| C11 | O6 | P1 | O12 | 13.8° | 65.0° |
| O6 | C11 | H14 | H15 | 119.7° | 120.0° |
| O6 | C11 | C12 | H16 | 146.5° | 54.3° |
| O4 | C10 | C2 | H12 | 123.4° | 122.6° |
| C10 | O4 | P1 | O12 | 50.8° | 65.0° |
| O4 | C10 | C2 | O2 | 97.6° | 120.6° |
| O4 | C10 | C2 | C1 | 140.4° | 119.9° |
| O4 | C10 | C2 | H1 | 20.9° | 1.2° |
| O4 | C10 | C9 | H7 | 157.2° | 144.0° |
| P1 | O4 | C10 | C2 | 83.0° | 125.2° |
| P1 | O4 | C10 | H12 | 39.8° | 2.6° |
| O4 | P1 | O12 | H13 | 126.8° | 60.1° |
| C12 | C11 | H14 | H15 | 119.8° | 120.0° |
| C11 | C12 | C20 | H17 | 24.7° | 22.3° |
| O10 | P2 | O11 | O9 | 126.1° | 124.2° |
| O10 | P2 | O11 | H18 | 0.0° | 60.0° |
| P2 | O9 | C20 | H17 | 108.1° | 102.1° |
| O9 | P2 | O11 | H18 | 126.0° | 175.9° |
| N1 | C3 | O2 | H6 | 118.5° | 122.8° |
| C3 | N1 | C6 | C5 | 178.0° | 180.0° |
| C3 | N1 | C6 | N3 | 3.5° | 0.0° |
| N1 | C3 | O2 | C2 | 144.1° | 158.6° |
| C3 | N1 | C4 | H2 | 1.8° | 0.1° |
| N1 | C3 | C9 | H7 | 29.4° | 37.3° |
| C6 | N1 | C3 | O2 | 60.1° | 156.5° |
| N1 | C6 | C5 | N3 | 178.7° | 180.0° |
| N1 | C6 | C5 | C8 | 179.4° | 180.0° |
| N1 | C6 | N3 | C7 | 178.7° | 180.0° |
| C6 | N1 | C4 | H2 | 178.0° | 180.0° |
| C6 | N1 | C3 | H6 | 179.2° | 33.6° |
| C3 | O2 | C2 | C10 | 0.8° | 26.4° |
| C3 | O2 | C2 | C1 | 122.8° | 145.9° |
| C3 | O2 | C2 | H1 | 117.1° | 93.0° |
| O2 | C3 | C9 | H7 | 83.6° | 81.2° |
| C6 | C5 | C8 | N5 | 179.1° | 179.7° |
| C6 | C5 | C8 | N4 | 0.8° | 0.0° |
| C5 | C6 | N3 | C7 | 0.3° | 0.1° |
| C5 | C8 | N5 | N4 | 179.9° | 179.8° |
| C8 | C5 | C6 | N3 | 0.7° | 0.1° |
| C5 | C8 | N4 | C7 | 0.6° | 0.0° |
| C5 | C8 | N5 | H3 | 179.9° | 179.7° |
| C5 | C8 | N5 | H4 | 60.1° | 0.3° |
| N5 | C8 | N4 | C7 | 179.4° | 179.8° |
| C8 | N5 | H3 | H4 | 120.0° | 180.0° |
| C10 | C2 | O2 | C1 | 122.0° | 119.5° |
| C10 | C2 | O2 | H1 | 117.9° | 119.5° |
| C10 | C2 | C1 | H1 | 119.6° | 121.0° |
| C10 | C2 | C1 | O1 | 51.3° | 175.3° |
| C2 | C10 | C9 | H7 | 84.9° | 97.3° |
| C10 | C2 | C1 | H9 | 171.8° | 55.4° |
| C10 | C2 | C1 | H10 | 69.2° | 64.6° |
| C6 | N3 | C7 | N4 | 0.0° | 0.0° |
| C6 | N3 | C7 | H5 | 180.0° | 179.9° |
| C8 | N4 | C7 | N3 | 0.2° | 0.0° |
| N4 | C8 | N5 | H3 | 0.0° | 0.0° |
| N4 | C8 | N5 | H4 | 120.0° | 180.0° |
| C8 | N4 | C7 | H5 | 179.8° | 180.0° |
| N3 | C7 | N4 | H5 | 180.0° | 180.0° |
| O2 | C2 | C1 | H1 | 120.8° | 121.0° |
| O2 | C2 | C1 | O1 | 68.4° | 66.7° |
| C2 | O2 | C3 | H6 | 97.4° | 78.6° |
| O2 | C2 | C1 | H9 | 52.1° | 173.3° |
| O2 | C2 | C1 | H10 | 171.1° | 53.3° |
| O2 | C2 | C10 | H12 | 139.0° | 116.8° |
| C2 | C1 | O1 | H9 | 120.5° | 120.0° |
| C2 | C1 | O1 | H10 | 120.5° | 120.1° |
| C2 | C1 | H9 | H10 | 118.4° | 120.1° |
| C2 | C1 | O1 | H11 | 180.0° | 179.9° |
| C1 | C2 | C10 | H12 | 17.0° | 2.7° |
| O1 | C1 | C2 | H1 | 170.9° | 54.3° |
| O1 | C1 | H9 | H10 | 118.4° | 119.9° |
| H1 | C2 | C1 | H9 | 68.6° | 65.7° |
| H1 | C2 | C1 | H10 | 50.3° | 174.3° |
| H1 | C2 | C10 | H12 | 102.5° | 123.7° |
| H6 | C3 | C9 | H7 | 156.1° | 160.3° |
| H7 | C9 | O3 | H8 | 55.5° | 62.2° |
| H7 | C9 | C10 | H12 | 33.1° | 21.4° |
| H9 | C1 | O1 | H11 | 59.5° | 59.9° |
| H10 | C1 | O1 | H11 | 59.5° | 60.0° |
| H14 | C11 | C12 | H16 | 26.4° | 65.7° |
| H15 | C11 | C12 | H16 | 93.4° | 174.4° |
| H16 | C12 | C20 | H17 | 145.2° | 144.5° |
| H17 | C20 | C19 | H19 | 5.0° | 0.6° |
| H19 | C19 | C13 | H20 | 157.3° | 145.1° |
