GJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P2 | doub | 1.48Å | 1.48Å | |
| O10 | C18 | sing | 1.43Å | 1.43Å | |
| C20 | N2 | doub | 1.32Å | 1.40Å | Aromatic |
| C20 | N1 | sing | 1.32Å | 1.39Å | Aromatic |
| P2 | S2 | sing | 2.12Å | 1.77Å | |
| P2 | O9 | sing | 1.61Å | 1.62Å | |
| P2 | O6 | sing | 1.61Å | 1.62Å | |
| N2 | C1 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C3 | doub | 1.33Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.54Å | 1.52Å | |
| C18 | C19 | sing | 1.54Å | 1.51Å | |
| O9 | C17 | sing | 1.43Å | 1.44Å | |
| O6 | C9 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | doub | 1.41Å | 1.33Å | Aromatic |
| C1 | N10 | sing | 1.37Å | 1.33Å | Aromatic |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.54Å | 1.50Å | |
| C3 | C2 | sing | 1.41Å | 1.33Å | Aromatic |
| C3 | N8 | sing | 1.38Å | 1.33Å | |
| C19 | N10 | sing | 1.46Å | 1.47Å | |
| C19 | O8 | sing | 1.43Å | 1.44Å | |
| C2 | N9 | sing | 1.35Å | 1.33Å | Aromatic |
| N10 | C4 | sing | 1.36Å | 1.32Å | Aromatic |
| C16 | O8 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| O1 | C7 | sing | 1.43Å | 1.46Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| N9 | C4 | doub | 1.30Å | 1.33Å | Aromatic |
| C12 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| C12 | N3 | sing | 1.36Å | 1.33Å | Aromatic |
| N4 | C11 | sing | 1.36Å | 1.33Å | Aromatic |
| C15 | O7 | sing | 1.43Å | 1.43Å | |
| C8 | C5 | sing | 1.55Å | 1.52Å | |
| C8 | O2 | sing | 1.43Å | 1.43Å | |
| N3 | C6 | sing | 1.46Å | 1.48Å | |
| N3 | C10 | sing | 1.37Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.54Å | 1.50Å | |
| C5 | O3 | sing | 1.42Å | 1.43Å | |
| O7 | P1 | sing | 1.61Å | 1.59Å | |
| C11 | C10 | doub | 1.40Å | 1.33Å | Aromatic |
| C11 | C14 | sing | 1.41Å | 1.33Å | Aromatic |
| N7 | C14 | sing | 1.38Å | 1.33Å | |
| C10 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| O3 | P1 | sing | 1.61Å | 1.61Å | |
| N5 | C13 | doub | 1.32Å | 1.40Å | Aromatic |
| P1 | O4 | doub | 1.48Å | 1.48Å | |
| P1 | S1 | sing | 2.12Å | 1.85Å | |
| N6 | C13 | sing | 1.32Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| S1 | H7 | sing | 1.34Å | 1.30Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å | |
| S2 | H14 | sing | 1.34Å | 1.30Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| O10 | H20 | sing | 0.97Å | 0.95Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| N8 | H23 | sing | 0.97Å | 1.00Å | |
| N8 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P2 | S2 | 114.2° | 109.3° |
| O5 | P2 | O9 | 111.9° | 109.4° |
| O5 | P2 | O6 | 112.6° | 109.3° |
| O10 | C18 | C17 | 111.3° | 110.5° |
| O10 | C18 | C19 | 108.0° | 110.4° |
| O10 | C18 | H19 | 112.3° | 110.7° |
| C18 | O10 | H20 | 109.5° | 114.0° |
| N2 | C20 | N1 | 118.7° | 122.5° |
| C20 | N2 | C1 | 119.5° | 120.6° |
| N2 | C20 | H22 | 120.7° | 118.7° |
| C20 | N1 | C3 | 118.3° | 121.2° |
| N1 | C20 | H22 | 120.6° | 118.8° |
| S2 | P2 | O9 | 105.8° | 109.4° |
| S2 | P2 | O6 | 107.1° | 109.3° |
| P2 | S2 | H14 | 102.0° | 103.0° |
| O9 | P2 | O6 | 104.6° | 110.1° |
| P2 | O9 | C17 | 119.4° | 124.3° |
| P2 | O6 | C9 | 120.6° | 122.6° |
| N2 | C1 | C2 | 120.1° | 119.1° |
| N2 | C1 | N10 | 132.5° | 134.9° |
| N1 | C3 | C2 | 121.8° | 118.5° |
| N1 | C3 | N8 | 122.0° | 120.8° |
| C17 | C18 | C19 | 102.8° | 103.8° |
| C18 | C17 | O9 | 111.6° | 109.9° |
| C18 | C17 | C16 | 101.0° | 104.4° |
| C18 | C17 | H18 | 110.7° | 110.4° |
| C17 | C18 | H19 | 110.9° | 110.6° |
| C18 | C19 | N10 | 110.8° | 110.0° |
| C18 | C19 | O8 | 106.4° | 106.8° |
| C19 | C18 | H19 | 111.0° | 110.7° |
| C18 | C19 | H21 | 109.7° | 109.9° |
| O9 | C17 | C16 | 110.4° | 111.1° |
| O9 | C17 | H18 | 111.8° | 110.3° |
| O6 | C9 | C7 | 112.1° | 109.7° |
| O6 | C9 | H8 | 108.8° | 109.4° |
| O6 | C9 | H9 | 108.8° | 109.4° |
| C2 | C1 | N10 | 107.4° | 106.0° |
| C1 | C2 | C3 | 121.6° | 118.1° |
| C1 | C2 | N9 | 108.0° | 107.1° |
| C1 | N10 | C19 | 124.3° | 126.2° |
| C1 | N10 | C4 | 108.8° | 107.5° |
| C9 | C7 | O1 | 110.2° | 109.7° |
| C9 | C7 | C8 | 111.6° | 109.3° |
| C9 | C7 | H4 | 109.3° | 110.5° |
| C7 | C9 | H8 | 108.8° | 109.6° |
| C7 | C9 | H9 | 108.8° | 109.4° |
| C17 | C16 | O8 | 101.9° | 108.1° |
| C17 | C16 | C15 | 109.5° | 110.0° |
| C17 | C16 | H17 | 111.7° | 110.2° |
| C16 | C17 | H18 | 110.9° | 110.6° |
| C2 | C3 | N8 | 116.2° | 120.7° |
| C3 | C2 | N9 | 130.4° | 134.7° |
| C3 | N8 | H23 | 109.5° | 120.0° |
| C3 | N8 | H24 | 109.5° | 120.0° |
| N10 | C19 | O8 | 108.8° | 110.1° |
| C19 | N10 | C4 | 126.8° | 126.3° |
| N10 | C19 | H21 | 110.4° | 110.1° |
| C19 | O8 | C16 | 106.8° | 111.0° |
| O8 | C19 | H21 | 110.7° | 110.0° |
| C2 | N9 | C4 | 108.5° | 109.5° |
| N10 | C4 | N9 | 107.3° | 109.9° |
| N10 | C4 | H1 | 126.3° | 125.0° |
| O8 | C16 | C15 | 109.1° | 109.5° |
| O8 | C16 | H17 | 112.8° | 109.5° |
| C16 | C15 | O7 | 109.4° | 109.6° |
| C16 | C15 | H15 | 109.5° | 109.3° |
| C16 | C15 | H16 | 109.5° | 109.6° |
| C15 | C16 | H17 | 111.4° | 109.5° |
| C7 | O1 | C6 | 106.0° | 111.4° |
| O1 | C7 | C8 | 105.6° | 107.0° |
| O1 | C7 | H4 | 110.5° | 110.6° |
| O1 | C6 | N3 | 108.8° | 109.8° |
| O1 | C6 | C5 | 100.5° | 107.2° |
| O1 | C6 | H3 | 112.2° | 109.9° |
| C7 | C8 | C5 | 102.4° | 103.2° |
| C7 | C8 | O2 | 108.1° | 110.3° |
| C8 | C7 | H4 | 109.6° | 109.7° |
| C7 | C8 | H5 | 111.1° | 111.0° |
| N9 | C4 | H1 | 126.3° | 125.0° |
| N4 | C12 | N3 | 107.5° | 110.0° |
| C12 | N4 | C11 | 108.4° | 109.4° |
| N4 | C12 | H10 | 126.3° | 125.0° |
| C12 | N3 | C6 | 126.2° | 126.2° |
| C12 | N3 | C10 | 108.4° | 107.4° |
| N3 | C12 | H10 | 126.3° | 125.0° |
| N4 | C11 | C10 | 107.7° | 107.1° |
| N4 | C11 | C14 | 131.4° | 134.6° |
| C15 | O7 | P1 | 120.3° | 123.4° |
| O7 | C15 | H15 | 109.5° | 109.4° |
| O7 | C15 | H16 | 109.5° | 109.5° |
| C5 | C8 | O2 | 111.2° | 110.4° |
| C8 | C5 | C6 | 100.7° | 103.2° |
| C8 | C5 | O3 | 111.1° | 110.7° |
| C8 | C5 | H2 | 110.7° | 110.1° |
| C5 | C8 | H5 | 111.1° | 110.9° |
| O2 | C8 | H5 | 112.4° | 110.8° |
| C8 | O2 | H6 | 109.5° | 114.0° |
| C6 | N3 | C10 | 125.4° | 126.3° |
| N3 | C6 | C5 | 112.4° | 109.9° |
| N3 | C6 | H3 | 111.4° | 110.1° |
| N3 | C10 | C11 | 107.9° | 106.1° |
| N3 | C10 | N5 | 131.2° | 134.9° |
| C6 | C5 | O3 | 110.7° | 111.5° |
| C6 | C5 | H2 | 111.0° | 110.1° |
| C5 | C6 | H3 | 111.1° | 109.8° |
| C5 | O3 | P1 | 118.2° | 122.3° |
| O3 | C5 | H2 | 112.1° | 110.9° |
| O7 | P1 | O3 | 106.4° | 109.2° |
| O7 | P1 | O4 | 115.1° | 109.6° |
| O7 | P1 | S1 | 108.2° | 109.5° |
| C10 | C11 | C14 | 120.8° | 118.2° |
| C11 | C10 | N5 | 120.9° | 119.1° |
| C11 | C14 | N7 | 116.2° | 120.8° |
| C11 | C14 | N6 | 121.8° | 118.4° |
| N7 | C14 | N6 | 122.0° | 120.8° |
| C14 | N7 | H12 | 109.5° | 120.0° |
| C14 | N7 | H13 | 109.4° | 120.0° |
| C10 | N5 | C13 | 119.7° | 120.6° |
| C14 | N6 | C13 | 118.8° | 121.2° |
| O3 | P1 | O4 | 111.4° | 109.5° |
| O3 | P1 | S1 | 103.3° | 109.5° |
| N5 | C13 | N6 | 118.0° | 122.5° |
| N5 | C13 | H11 | 121.0° | 118.8° |
| O4 | P1 | S1 | 111.7° | 109.6° |
| P1 | S1 | H7 | 102.0° | 103.0° |
| N6 | C13 | H11 | 121.0° | 118.7° |
| H8 | C9 | H9 | 109.4° | 109.4° |
| H12 | N7 | H13 | 109.5° | 119.9° |
| H15 | C15 | H16 | 109.4° | 109.4° |
| H23 | N8 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P2 | S2 | O9 | 123.5° | 119.7° |
| O5 | P2 | S2 | O6 | 125.3° | 119.6° |
| O5 | P2 | O9 | O6 | 122.2° | 120.2° |
| O5 | P2 | O9 | C17 | 138.9° | 76.7° |
| O5 | P2 | O6 | C9 | 72.2° | 81.7° |
| O5 | P2 | S2 | H14 | 0.0° | 60.0° |
| O10 | C18 | C17 | C19 | 115.4° | 118.4° |
| O10 | C18 | C17 | H19 | 125.8° | 122.9° |
| O10 | C18 | C19 | H19 | 123.5° | 123.0° |
| O10 | C18 | C17 | O9 | 35.6° | 19.8° |
| O10 | C18 | C17 | C16 | 81.7° | 139.0° |
| O10 | C18 | C19 | N10 | 134.6° | 97.4° |
| O10 | C18 | C19 | O8 | 107.4° | 143.2° |
| O10 | C18 | C17 | H18 | 160.7° | 102.1° |
| O10 | C18 | C19 | H21 | 12.5° | 24.0° |
| N2 | C20 | N1 | H22 | 180.0° | 179.5° |
| N2 | C20 | N1 | C3 | 0.4° | 0.2° |
| C20 | N2 | C1 | C2 | 0.7° | 0.5° |
| C20 | N2 | C1 | N10 | 179.3° | 179.8° |
| N1 | C20 | N2 | C1 | 0.6° | 0.5° |
| C20 | N1 | C3 | C2 | 1.4° | 0.1° |
| C20 | N1 | C3 | N8 | 179.1° | 180.0° |
| S2 | P2 | O9 | O6 | 112.9° | 120.2° |
| S2 | P2 | O9 | C17 | 14.0° | 163.6° |
| S2 | P2 | O6 | C9 | 54.1° | 37.9° |
| P2 | O9 | C17 | C18 | 104.7° | 176.1° |
| O9 | P2 | O6 | C9 | 166.0° | 158.0° |
| P2 | O9 | C17 | C16 | 143.8° | 68.8° |
| O9 | P2 | S2 | H14 | 123.5° | 179.7° |
| P2 | O9 | C17 | H18 | 19.8° | 54.2° |
| O6 | P2 | O9 | C17 | 98.9° | 43.5° |
| P2 | O6 | C9 | C7 | 116.7° | 122.6° |
| P2 | O6 | C9 | H8 | 122.9° | 117.1° |
| P2 | O6 | C9 | H9 | 3.7° | 2.7° |
| O6 | P2 | S2 | H14 | 125.3° | 59.6° |
| N2 | C1 | C2 | N10 | 179.0° | 179.8° |
| N2 | C1 | C2 | C3 | 0.3° | 0.2° |
| N2 | C1 | N10 | C19 | 1.6° | 0.2° |
| N2 | C1 | C2 | N9 | 179.5° | 179.8° |
| N2 | C1 | N10 | C4 | 179.5° | 179.7° |
| C1 | N2 | C20 | H22 | 179.4° | 180.0° |
| N1 | C3 | C2 | C1 | 1.4° | 0.1° |
| N1 | C3 | C2 | N8 | 177.9° | 179.9° |
| N1 | C3 | C2 | N9 | 179.6° | 180.0° |
| C3 | N1 | C20 | H22 | 179.6° | 179.7° |
| N1 | C3 | N8 | H23 | 0.0° | 180.0° |
| N1 | C3 | N8 | H24 | 120.0° | 0.0° |
| C17 | C18 | C19 | H19 | 118.7° | 118.6° |
| C18 | C17 | O9 | C16 | 111.5° | 115.0° |
| C18 | C17 | O9 | H18 | 124.5° | 121.9° |
| C18 | C17 | C16 | H18 | 117.3° | 118.7° |
| C17 | C18 | C19 | N10 | 107.7° | 144.3° |
| C17 | C18 | C19 | O8 | 10.4° | 24.8° |
| C18 | C17 | C16 | O8 | 45.5° | 10.0° |
| C18 | C17 | C16 | C15 | 160.9° | 109.5° |
| C18 | C17 | C16 | H17 | 75.2° | 129.7° |
| C17 | C18 | O10 | H20 | 180.0° | 180.0° |
| C17 | C18 | C19 | H21 | 130.3° | 94.4° |
| C19 | C18 | C17 | O9 | 151.0° | 98.5° |
| C18 | C19 | N10 | C1 | 94.4° | 85.1° |
| C19 | C18 | C17 | C16 | 33.7° | 20.7° |
| C18 | C19 | N10 | O8 | 116.6° | 117.4° |
| C18 | C19 | N10 | H21 | 121.7° | 121.2° |
| C18 | C19 | O8 | H21 | 119.2° | 119.2° |
| C18 | C19 | N10 | C4 | 86.9° | 95.0° |
| C18 | C19 | O8 | C16 | 18.5° | 19.6° |
| C19 | C18 | C17 | H18 | 83.8° | 139.6° |
| C19 | C18 | O10 | H20 | 67.8° | 65.8° |
| O9 | C17 | C16 | H18 | 124.5° | 122.9° |
| O9 | C17 | C16 | O8 | 163.7° | 108.4° |
| O9 | C17 | C16 | C15 | 80.9° | 132.1° |
| O9 | C17 | C16 | H17 | 43.0° | 11.3° |
| O9 | C17 | C18 | H19 | 90.2° | 142.7° |
| O6 | C9 | C7 | H8 | 120.4° | 120.1° |
| O6 | C9 | C7 | H9 | 120.4° | 120.0° |
| O6 | C9 | C7 | O1 | 94.3° | 93.3° |
| O6 | C9 | C7 | C8 | 22.8° | 23.7° |
| O6 | C9 | C7 | H4 | 144.1° | 144.6° |
| O6 | C9 | H8 | H9 | 118.8° | 119.8° |
| C1 | C2 | C3 | N9 | 178.9° | 179.9° |
| C1 | C2 | C3 | N8 | 179.3° | 180.0° |
| C2 | C1 | N10 | C19 | 179.7° | 179.9° |
| C2 | C1 | N10 | C4 | 0.8° | 0.1° |
| C1 | C2 | N9 | C4 | 0.1° | 0.0° |
| N10 | C1 | C2 | C3 | 178.6° | 180.0° |
| C1 | N10 | C19 | C4 | 178.7° | 179.9° |
| C1 | N10 | C19 | O8 | 148.9° | 157.5° |
| N10 | C1 | C2 | N9 | 0.5° | 0.0° |
| C1 | N10 | C4 | N9 | 0.7° | 0.1° |
| C1 | N10 | C4 | H1 | 179.3° | 179.9° |
| C1 | N10 | C19 | H21 | 27.2° | 36.1° |
| C9 | C7 | O1 | C8 | 120.7° | 118.5° |
| C9 | C7 | O1 | H4 | 120.9° | 122.1° |
| C9 | C7 | O1 | C6 | 142.4° | 108.7° |
| C9 | C7 | C8 | H4 | 121.2° | 121.3° |
| C9 | C7 | C8 | C5 | 110.4° | 95.1° |
| C9 | C7 | C8 | O2 | 132.1° | 147.0° |
| C9 | C7 | C8 | H5 | 8.3° | 23.8° |
| C7 | C9 | H8 | H9 | 118.8° | 119.9° |
| C17 | C16 | O8 | C19 | 40.3° | 5.9° |
| C17 | C16 | O8 | C15 | 115.7° | 119.8° |
| C17 | C16 | O8 | H17 | 119.9° | 120.1° |
| C17 | C16 | C15 | H17 | 124.1° | 121.2° |
| C17 | C16 | C15 | O7 | 62.4° | 120.1° |
| C17 | C16 | C15 | H15 | 177.6° | 120.1° |
| C17 | C16 | C15 | H16 | 57.7° | 0.2° |
| C16 | C17 | C18 | H19 | 152.5° | 98.1° |
| C3 | C2 | N9 | C4 | 179.0° | 179.9° |
| C2 | C3 | N8 | H23 | 177.9° | 0.1° |
| C2 | C3 | N8 | H24 | 57.8° | 179.9° |
| N8 | C3 | C2 | N9 | 1.8° | 0.1° |
| C3 | N8 | H23 | H24 | 120.0° | 180.0° |
| N10 | C19 | O8 | H21 | 121.5° | 121.5° |
| N10 | C19 | O8 | C16 | 137.9° | 139.0° |
| C19 | N10 | C4 | N9 | 179.6° | 180.0° |
| C19 | N10 | C4 | H1 | 0.4° | 0.0° |
| N10 | C19 | C18 | H19 | 11.0° | 25.6° |
| O8 | C19 | N10 | C4 | 29.8° | 22.4° |
| C19 | O8 | C16 | C15 | 156.0° | 125.7° |
| C19 | O8 | C16 | H17 | 79.6° | 114.1° |
| O8 | C19 | C18 | H19 | 129.1° | 93.8° |
| C2 | N9 | C4 | N10 | 0.4° | 0.0° |
| C2 | N9 | C4 | H1 | 179.6° | 179.9° |
| N10 | C4 | N9 | H1 | 180.0° | 180.0° |
| C4 | N10 | C19 | H21 | 151.5° | 143.7° |
| O8 | C16 | C15 | H17 | 125.2° | 120.1° |
| O8 | C16 | C15 | O7 | 48.4° | 121.3° |
| O8 | C16 | C15 | H15 | 71.6° | 1.4° |
| O8 | C16 | C15 | H16 | 168.4° | 118.5° |
| O8 | C16 | C17 | H18 | 71.8° | 128.7° |
| C16 | O8 | C19 | H21 | 100.6° | 99.6° |
| C16 | C15 | O7 | H15 | 120.0° | 119.8° |
| C16 | C15 | O7 | H16 | 120.0° | 120.3° |
| C16 | C15 | O7 | P1 | 170.6° | 171.9° |
| C16 | C15 | H15 | H16 | 120.0° | 120.1° |
| C15 | C16 | C17 | H18 | 43.6° | 9.2° |
| O1 | C7 | C8 | H4 | 119.0° | 119.9° |
| O1 | C7 | C8 | C5 | 9.3° | 23.7° |
| O1 | C7 | C8 | O2 | 108.1° | 94.2° |
| C7 | O1 | C6 | N3 | 162.5° | 127.9° |
| C7 | O1 | C6 | C5 | 44.3° | 8.6° |
| C7 | O1 | C6 | H3 | 73.8° | 110.8° |
| O1 | C7 | C8 | H5 | 128.1° | 142.5° |
| O1 | C7 | C9 | H8 | 145.3° | 26.8° |
| O1 | C7 | C9 | H9 | 26.1° | 146.8° |
| C6 | O1 | C7 | C8 | 21.7° | 9.8° |
| O1 | C6 | N3 | C12 | 62.4° | 22.6° |
| O1 | C6 | C5 | C8 | 48.9° | 23.0° |
| O1 | C6 | N3 | C5 | 110.4° | 117.7° |
| O1 | C6 | N3 | H3 | 124.1° | 121.2° |
| O1 | C6 | N3 | C10 | 118.9° | 157.0° |
| O1 | C6 | C5 | H3 | 118.9° | 119.4° |
| O1 | C6 | C5 | O3 | 166.5° | 141.9° |
| O1 | C6 | C5 | H2 | 68.3° | 94.6° |
| C6 | O1 | C7 | H4 | 96.7° | 129.2° |
| C7 | C8 | C5 | O2 | 115.2° | 117.9° |
| C7 | C8 | C5 | H5 | 118.7° | 118.9° |
| C7 | C8 | O2 | H5 | 123.0° | 123.4° |
| C7 | C8 | C5 | C6 | 35.2° | 27.7° |
| C7 | C8 | C5 | O3 | 152.5° | 147.2° |
| C7 | C8 | C5 | H2 | 82.3° | 89.9° |
| C7 | C8 | O2 | H6 | 180.0° | 61.4° |
| C8 | C7 | C9 | H8 | 97.6° | 143.9° |
| C8 | C7 | C9 | H9 | 143.2° | 96.2° |
| N4 | C12 | N3 | H10 | 180.0° | 179.9° |
| N4 | C12 | N3 | C6 | 179.9° | 179.9° |
| N4 | C12 | N3 | C10 | 1.1° | 0.2° |
| C12 | N4 | C11 | C10 | 1.2° | 0.1° |
| C12 | N4 | C11 | C14 | 178.8° | 179.9° |
| N3 | C12 | N4 | C11 | 1.4° | 0.1° |
| C12 | N3 | C6 | C10 | 178.6° | 179.6° |
| C12 | N3 | C6 | C5 | 48.0° | 95.1° |
| C12 | N3 | C10 | C11 | 0.4° | 0.3° |
| C12 | N3 | C10 | N5 | 179.6° | 180.0° |
| C12 | N3 | C6 | H3 | 173.4° | 143.8° |
| N4 | C11 | C10 | N3 | 0.5° | 0.3° |
| N4 | C11 | C10 | C14 | 177.9° | 180.0° |
| N4 | C11 | C14 | N7 | 2.4° | 0.0° |
| N4 | C11 | C10 | N5 | 179.6° | 179.9° |
| N4 | C11 | C14 | N6 | 179.5° | 180.0° |
| C11 | N4 | C12 | H10 | 178.6° | 180.0° |
| C15 | O7 | P1 | O3 | 116.8° | 93.8° |
| C15 | O7 | P1 | O4 | 7.1° | 146.3° |
| C15 | O7 | P1 | S1 | 132.8° | 26.0° |
| O7 | C15 | H15 | H16 | 120.0° | 119.9° |
| O7 | C15 | C16 | H17 | 173.6° | 1.1° |
| C5 | C8 | O2 | H5 | 125.3° | 123.2° |
| C8 | C5 | C6 | N3 | 164.4° | 142.3° |
| C8 | C5 | C6 | O3 | 117.6° | 118.9° |
| C8 | C5 | C6 | H2 | 117.3° | 117.6° |
| C8 | C5 | O3 | H2 | 124.4° | 122.5° |
| C8 | C5 | O3 | P1 | 92.6° | 88.6° |
| C8 | C5 | C6 | H3 | 69.9° | 96.4° |
| C5 | C8 | C7 | H4 | 128.4° | 143.7° |
| C5 | C8 | O2 | H6 | 68.4° | 174.8° |
| O2 | C8 | C5 | C6 | 80.0° | 90.2° |
| O2 | C8 | C5 | O3 | 37.3° | 29.3° |
| O2 | C8 | C5 | H2 | 162.5° | 152.3° |
| O2 | C8 | C7 | H4 | 10.9° | 25.7° |
| N3 | C6 | C5 | H3 | 125.6° | 121.3° |
| N3 | C6 | C5 | O3 | 78.0° | 98.8° |
| C6 | N3 | C10 | C11 | 179.2° | 180.0° |
| C6 | N3 | C10 | N5 | 0.7° | 0.3° |
| N3 | C6 | C5 | H2 | 47.2° | 24.8° |
| C6 | N3 | C12 | H10 | 0.1° | 0.2° |
| C10 | N3 | C6 | C5 | 130.7° | 85.3° |
| N3 | C10 | C11 | N5 | 180.0° | 179.8° |
| N3 | C10 | C11 | C14 | 178.4° | 179.8° |
| N3 | C10 | N5 | C13 | 179.6° | 179.6° |
| C10 | N3 | C6 | H3 | 5.2° | 35.8° |
| C10 | N3 | C12 | H10 | 178.9° | 179.9° |
| C6 | C5 | O3 | H2 | 124.6° | 123.1° |
| C6 | C5 | O3 | P1 | 156.4° | 157.0° |
| C6 | C5 | C8 | H5 | 153.9° | 146.6° |
| C5 | O3 | P1 | O7 | 19.3° | 9.0° |
| C5 | O3 | P1 | O4 | 106.8° | 128.9° |
| C5 | O3 | P1 | S1 | 133.2° | 110.9° |
| O3 | C5 | C6 | H3 | 47.7° | 22.5° |
| O3 | C5 | C8 | H5 | 88.8° | 93.9° |
| O7 | P1 | O3 | O4 | 126.1° | 120.0° |
| O7 | P1 | O3 | S1 | 113.9° | 119.9° |
| O7 | P1 | O4 | S1 | 123.9° | 120.2° |
| O7 | P1 | S1 | H7 | 127.6° | 60.3° |
| P1 | O7 | C15 | H15 | 50.6° | 68.3° |
| P1 | O7 | C15 | H16 | 69.4° | 51.6° |
| C10 | C11 | C14 | N7 | 179.7° | 180.0° |
| C10 | C11 | C14 | N6 | 2.2° | 0.0° |
| C11 | C10 | N5 | C13 | 0.4° | 0.1° |
| C11 | C14 | N7 | N6 | 178.1° | 180.0° |
| C14 | C11 | C10 | N5 | 1.7° | 0.0° |
| C11 | C14 | N6 | C13 | 1.5° | 0.0° |
| C11 | C14 | N7 | H12 | 178.1° | 0.0° |
| C11 | C14 | N7 | H13 | 61.9° | 180.0° |
| N7 | C14 | N6 | C13 | 179.4° | 180.0° |
| C14 | N7 | H12 | H13 | 120.0° | 180.0° |
| C10 | N5 | C13 | N6 | 0.3° | 0.1° |
| C10 | N5 | C13 | H11 | 179.7° | 180.0° |
| C14 | N6 | C13 | N5 | 0.3° | 0.0° |
| C14 | N6 | C13 | H11 | 179.7° | 180.0° |
| N6 | C14 | N7 | H12 | 0.0° | 179.9° |
| N6 | C14 | N7 | H13 | 120.0° | 0.0° |
| O3 | P1 | O4 | S1 | 114.9° | 120.1° |
| P1 | O3 | C5 | H2 | 31.9° | 33.9° |
| O3 | P1 | S1 | H7 | 119.8° | 180.0° |
| N5 | C13 | N6 | H11 | 180.0° | 179.9° |
| O4 | P1 | S1 | H7 | 0.0° | 59.9° |
| H2 | C5 | C6 | H3 | 172.8° | 146.0° |
| H2 | C5 | C8 | H5 | 36.4° | 29.1° |
| H4 | C7 | C8 | H5 | 112.9° | 97.5° |
| H4 | C7 | C9 | H8 | 23.7° | 95.3° |
| H4 | C7 | C9 | H9 | 95.5° | 24.6° |
| H5 | C8 | O2 | H6 | 57.0° | 62.0° |
| H15 | C15 | C16 | H17 | 53.6° | 118.7° |
| H16 | C15 | C16 | H17 | 66.4° | 121.4° |
| H17 | C16 | C17 | H18 | 167.5° | 111.6° |
| H18 | C17 | C18 | H19 | 35.0° | 20.8° |
| H19 | C18 | O10 | H20 | 55.0° | 57.2° |
| H19 | C18 | C19 | H21 | 111.0° | 147.0° |
