F2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| N8 | C15 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| N9 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| N7 | C15 | sing | 1.38Å | 1.33Å | |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| N5 | C12 | sing | 1.47Å | 1.46Å | |
| N5 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C13 | doub | 1.30Å | 1.31Å | Aromatic |
| C12 | O11 | sing | 1.44Å | 1.41Å | |
| C12 | C18 | sing | 1.54Å | 1.52Å | |
| O12 | C18 | sing | 1.43Å | 1.41Å | |
| O11 | C11 | sing | 1.44Å | 1.45Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C11 | C19 | sing | 1.55Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C19 | O13 | sing | 1.43Å | 1.42Å | |
| C10 | O10 | sing | 1.43Å | 1.47Å | |
| O10 | P2 | sing | 1.61Å | 1.60Å | |
| O14 | C20 | sing | 1.43Å | 1.40Å | |
| O6 | P1 | doub | 1.48Å | 1.48Å | |
| P2 | O9 | doub | 1.48Å | 1.49Å | |
| P2 | O7 | sing | 1.61Å | 1.61Å | |
| P2 | O8 | sing | 1.61Å | 1.49Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | O4 | sing | 1.43Å | 1.41Å | |
| C8 | C20 | sing | 1.55Å | 1.53Å | |
| C8 | O3 | sing | 1.44Å | 1.45Å | |
| O4 | P1 | sing | 1.61Å | 1.62Å | |
| C20 | C21 | sing | 1.56Å | 1.54Å | |
| P1 | O7 | sing | 1.61Å | 1.58Å | |
| P1 | O5 | sing | 1.61Å | 1.50Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| N2 | C1 | sing | 1.37Å | 1.33Å | |
| C1 | N4 | sing | 1.37Å | 1.35Å | |
| C1 | N1 | doub | 1.30Å | 1.34Å | |
| N4 | C7 | sing | 1.46Å | 1.45Å | |
| O3 | C7 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C21 | O15 | sing | 1.43Å | 1.43Å | |
| C21 | C7 | sing | 1.54Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | N3 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.51Å | 1.54Å | |
| O1 | C6 | doub | 1.21Å | 1.25Å | |
| C6 | O2 | sing | 1.34Å | 1.26Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 1.01Å | 1.00Å | |
| N3 | H12 | sing | 1.01Å | 1.00Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| O5 | H20 | sing | 0.97Å | 0.95Å | |
| O8 | H21 | sing | 0.97Å | 0.95Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| N7 | H28 | sing | 0.97Å | 1.00Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| O12 | H31 | sing | 0.97Å | 0.95Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| O13 | H33 | sing | 0.97Å | 0.95Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| O14 | H35 | sing | 0.97Å | 0.95Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| O15 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N8 | C15 | 119.1° | 121.2° |
| N8 | C16 | N9 | 129.1° | 122.4° |
| N8 | C16 | H29 | 115.5° | 118.8° |
| N8 | C15 | N7 | 119.4° | 120.8° |
| N8 | C15 | C14 | 116.9° | 118.4° |
| C16 | N9 | C17 | 110.6° | 120.6° |
| N9 | C16 | H29 | 115.4° | 118.8° |
| N9 | C17 | C14 | 126.7° | 119.1° |
| N9 | C17 | N5 | 127.7° | 134.9° |
| N7 | C15 | C14 | 123.7° | 120.8° |
| C15 | N7 | H27 | 109.5° | 119.9° |
| C15 | N7 | H28 | 109.5° | 120.0° |
| C15 | C14 | C17 | 117.5° | 118.2° |
| C15 | C14 | N6 | 131.9° | 134.7° |
| C14 | C17 | N5 | 105.6° | 106.0° |
| C17 | C14 | N6 | 110.6° | 107.1° |
| C17 | N5 | C12 | 126.8° | 126.3° |
| C17 | N5 | C13 | 106.1° | 107.4° |
| C14 | N6 | C13 | 104.2° | 109.4° |
| C12 | N5 | C13 | 127.0° | 126.3° |
| N5 | C12 | O11 | 110.2° | 110.3° |
| N5 | C12 | C18 | 114.9° | 110.4° |
| N5 | C12 | H25 | 108.4° | 110.4° |
| N5 | C13 | N6 | 113.4° | 110.0° |
| N5 | C13 | H26 | 123.3° | 125.0° |
| N6 | C13 | H26 | 123.3° | 125.0° |
| O11 | C12 | C18 | 106.7° | 104.8° |
| C12 | O11 | C11 | 110.0° | 105.3° |
| O11 | C12 | H25 | 109.0° | 110.4° |
| C12 | C18 | O12 | 105.6° | 110.5° |
| C12 | C18 | C19 | 101.7° | 104.1° |
| C18 | C12 | H25 | 107.6° | 110.4° |
| C12 | C18 | H30 | 111.0° | 110.6° |
| O12 | C18 | C19 | 114.1° | 110.5° |
| O12 | C18 | H30 | 112.8° | 110.5° |
| C18 | O12 | H31 | 109.5° | 114.0° |
| O11 | C11 | C19 | 104.0° | 104.8° |
| O11 | C11 | C10 | 109.0° | 110.4° |
| O11 | C11 | H24 | 109.5° | 110.4° |
| C18 | C19 | C11 | 100.4° | 104.1° |
| C18 | C19 | O13 | 114.6° | 110.5° |
| C19 | C18 | H30 | 110.9° | 110.5° |
| C18 | C19 | H32 | 109.4° | 110.5° |
| C19 | C11 | C10 | 117.0° | 110.4° |
| C11 | C19 | O13 | 111.5° | 110.5° |
| C19 | C11 | H24 | 108.4° | 110.4° |
| C11 | C19 | H32 | 109.4° | 110.5° |
| C11 | C10 | O10 | 109.5° | 109.5° |
| C11 | C10 | H22 | 109.4° | 109.5° |
| C11 | C10 | H23 | 109.4° | 109.4° |
| C10 | C11 | H24 | 108.7° | 110.4° |
| O13 | C19 | H32 | 111.0° | 110.5° |
| C19 | O13 | H33 | 109.5° | 114.0° |
| C10 | O10 | P2 | 121.2° | 123.0° |
| O10 | C10 | H22 | 109.4° | 109.5° |
| O10 | C10 | H23 | 109.5° | 109.4° |
| O10 | P2 | O9 | 106.8° | 109.5° |
| O10 | P2 | O7 | 100.1° | 109.5° |
| O10 | P2 | O8 | 110.9° | 109.4° |
| O14 | C20 | C8 | 106.1° | 111.1° |
| O14 | C20 | C21 | 113.3° | 111.1° |
| O14 | C20 | H34 | 112.3° | 111.0° |
| C20 | O14 | H35 | 109.5° | 114.0° |
| O6 | P1 | O4 | 110.3° | 109.4° |
| O6 | P1 | O7 | 111.9° | 109.5° |
| O6 | P1 | O5 | 121.9° | 109.5° |
| O9 | P2 | O7 | 113.3° | 109.5° |
| O9 | P2 | O8 | 123.0° | 109.5° |
| O7 | P2 | O8 | 100.3° | 109.5° |
| P2 | O7 | P1 | 136.8° | 134.0° |
| P2 | O8 | H21 | 109.5° | 114.0° |
| C8 | C9 | O4 | 109.0° | 109.5° |
| C9 | C8 | C20 | 115.1° | 110.3° |
| C9 | C8 | O3 | 109.8° | 110.4° |
| C9 | C8 | H17 | 108.5° | 110.4° |
| C8 | C9 | H18 | 109.6° | 109.5° |
| C8 | C9 | H19 | 109.6° | 109.5° |
| C9 | O4 | P1 | 118.0° | 123.0° |
| O4 | C9 | H18 | 109.6° | 109.4° |
| O4 | C9 | H19 | 109.6° | 109.5° |
| C20 | C8 | O3 | 105.7° | 105.1° |
| C8 | C20 | C21 | 104.0° | 101.0° |
| C20 | C8 | H17 | 108.3° | 110.3° |
| C8 | C20 | H34 | 110.5° | 111.2° |
| C8 | O3 | C7 | 110.1° | 110.0° |
| O3 | C8 | H17 | 109.3° | 110.3° |
| O4 | P1 | O7 | 94.5° | 109.4° |
| O4 | P1 | O5 | 108.1° | 109.5° |
| C20 | C21 | O15 | 115.8° | 110.8° |
| C20 | C21 | C7 | 102.7° | 102.2° |
| C21 | C20 | H34 | 110.2° | 111.0° |
| C20 | C21 | H36 | 107.9° | 110.9° |
| O7 | P1 | O5 | 106.7° | 109.5° |
| P1 | O5 | H20 | 109.5° | 114.0° |
| N2 | C2 | C3 | 110.2° | 109.5° |
| C2 | N2 | C1 | 122.1° | 120.0° |
| C2 | N2 | H3 | 119.0° | 119.9° |
| N2 | C2 | H4 | 109.3° | 109.4° |
| N2 | C2 | H5 | 109.3° | 109.5° |
| C2 | C3 | C4 | 112.0° | 109.5° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.4° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| N2 | C1 | N4 | 120.4° | 120.0° |
| N2 | C1 | N1 | 120.8° | 120.0° |
| C1 | N2 | H3 | 118.9° | 120.0° |
| N4 | C1 | N1 | 118.7° | 120.0° |
| C1 | N4 | C7 | 124.4° | 120.0° |
| C1 | N4 | H15 | 117.8° | 120.0° |
| C1 | N1 | H1 | 112.0° | 120.0° |
| N4 | C7 | O3 | 109.5° | 109.9° |
| N4 | C7 | C21 | 111.3° | 109.9° |
| C7 | N4 | H15 | 117.8° | 120.0° |
| N4 | C7 | H16 | 110.4° | 109.8° |
| O3 | C7 | C21 | 104.9° | 107.7° |
| O3 | C7 | H16 | 111.0° | 109.8° |
| C3 | C4 | C5 | 113.8° | 109.5° |
| C4 | C3 | H6 | 108.9° | 109.5° |
| C4 | C3 | H7 | 108.8° | 109.5° |
| C3 | C4 | H8 | 108.4° | 109.4° |
| C3 | C4 | H9 | 108.4° | 109.4° |
| O15 | C21 | C7 | 112.6° | 110.8° |
| O15 | C21 | H36 | 109.2° | 110.8° |
| C21 | O15 | H37 | 109.5° | 114.0° |
| C21 | C7 | H16 | 109.7° | 109.8° |
| C7 | C21 | H36 | 108.3° | 111.2° |
| C4 | C5 | N3 | 109.6° | 109.5° |
| C4 | C5 | C6 | 109.8° | 109.5° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C5 | C4 | H9 | 108.4° | 109.5° |
| C4 | C5 | H10 | 108.6° | 109.5° |
| N3 | C5 | C6 | 111.3° | 109.5° |
| N3 | C5 | H10 | 109.1° | 109.5° |
| C5 | N3 | H11 | 109.5° | 111.0° |
| C5 | N3 | H12 | 109.4° | 111.0° |
| C5 | C6 | O1 | 116.3° | 120.0° |
| C5 | C6 | O2 | 118.3° | 120.0° |
| C6 | C5 | H10 | 108.5° | 109.4° |
| O1 | C6 | O2 | 125.4° | 120.0° |
| C6 | O2 | H14 | 109.5° | 117.0° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H11 | N3 | H12 | 109.5° | 111.0° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.5° | 109.5° |
| H27 | N7 | H28 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C16 | N9 | H29 | 180.0° | 179.9° |
| N8 | C16 | N9 | C17 | 1.0° | 0.3° |
| C16 | N8 | C15 | N7 | 178.9° | 180.0° |
| C16 | N8 | C15 | C14 | 0.0° | 0.1° |
| C15 | N8 | C16 | N9 | 1.1° | 0.1° |
| N8 | C15 | N7 | C14 | 178.8° | 179.9° |
| N8 | C15 | C14 | C17 | 0.9° | 0.3° |
| N8 | C15 | C14 | N6 | 179.6° | 180.0° |
| N8 | C15 | N7 | H27 | 0.0° | 180.0° |
| N8 | C15 | N7 | H28 | 120.0° | 0.0° |
| C15 | N8 | C16 | H29 | 178.9° | 180.0° |
| C16 | N9 | C17 | C14 | 0.1° | 0.5° |
| C16 | N9 | C17 | N5 | 179.8° | 179.6° |
| N9 | C17 | C14 | C15 | 1.1° | 0.5° |
| N9 | C17 | C14 | N5 | 179.7° | 179.3° |
| N9 | C17 | C14 | N6 | 180.0° | 179.7° |
| N9 | C17 | N5 | C12 | 1.3° | 0.7° |
| N9 | C17 | N5 | C13 | 180.0° | 179.5° |
| C17 | N9 | C16 | H29 | 179.0° | 179.8° |
| N7 | C15 | C14 | C17 | 179.7° | 179.7° |
| N7 | C15 | C14 | N6 | 1.6° | 0.1° |
| C15 | N7 | H27 | H28 | 120.0° | 180.0° |
| C15 | C14 | C17 | N6 | 178.9° | 179.8° |
| C15 | C14 | C17 | N5 | 179.2° | 179.9° |
| C15 | C14 | N6 | C13 | 178.9° | 180.0° |
| C14 | C15 | N7 | H27 | 178.8° | 0.0° |
| C14 | C15 | N7 | H28 | 58.8° | 179.9° |
| C14 | C17 | N5 | C12 | 178.4° | 179.9° |
| C14 | C17 | N5 | C13 | 0.2° | 0.4° |
| C17 | C14 | N6 | C13 | 0.2° | 0.3° |
| N5 | C17 | C14 | N6 | 0.3° | 0.4° |
| C17 | N5 | C12 | C13 | 178.3° | 179.7° |
| C17 | N5 | C13 | N6 | 0.1° | 0.2° |
| C17 | N5 | C12 | O11 | 171.2° | 156.8° |
| C17 | N5 | C12 | C18 | 68.3° | 87.9° |
| C17 | N5 | C12 | H25 | 52.0° | 34.5° |
| C17 | N5 | C13 | H26 | 179.9° | 179.7° |
| C14 | N6 | C13 | N5 | 0.1° | 0.0° |
| C14 | N6 | C13 | H26 | 179.9° | 180.0° |
| C12 | N5 | C13 | N6 | 178.5° | 180.0° |
| N5 | C12 | O11 | C18 | 125.3° | 118.8° |
| N5 | C12 | O11 | H25 | 118.8° | 122.3° |
| N5 | C12 | C18 | H25 | 120.8° | 122.4° |
| N5 | C12 | C18 | O12 | 145.7° | 98.6° |
| N5 | C12 | O11 | C11 | 121.9° | 159.3° |
| N5 | C12 | C18 | C19 | 94.9° | 142.8° |
| C12 | N5 | C13 | H26 | 1.5° | 0.0° |
| N5 | C12 | C18 | H30 | 23.2° | 24.1° |
| N5 | C13 | N6 | H26 | 180.0° | 180.0° |
| C13 | N5 | C12 | O11 | 7.1° | 23.6° |
| C13 | N5 | C12 | C18 | 113.3° | 91.8° |
| C13 | N5 | C12 | H25 | 126.3° | 145.9° |
| O11 | C12 | C18 | H25 | 116.9° | 118.8° |
| O11 | C12 | C18 | O12 | 91.9° | 142.6° |
| O11 | C12 | C18 | C19 | 27.5° | 24.0° |
| C12 | O11 | C11 | C19 | 22.5° | 40.5° |
| C12 | O11 | C11 | C10 | 148.0° | 159.3° |
| C12 | O11 | C11 | H24 | 93.2° | 78.4° |
| O11 | C12 | C18 | H30 | 145.5° | 94.7° |
| C12 | C18 | O12 | C19 | 110.8° | 114.7° |
| C12 | C18 | O12 | H30 | 121.4° | 122.7° |
| C18 | C12 | O11 | C11 | 3.3° | 40.5° |
| C12 | C18 | C19 | H30 | 118.1° | 118.7° |
| C12 | C18 | C19 | C11 | 39.4° | 0.1° |
| C12 | C18 | C19 | O13 | 159.0° | 118.6° |
| C12 | C18 | O12 | H31 | 180.0° | 180.0° |
| C12 | C18 | C19 | H32 | 75.6° | 118.7° |
| O12 | C18 | C19 | H30 | 128.7° | 122.7° |
| O12 | C18 | C19 | C11 | 73.7° | 118.7° |
| O12 | C18 | C19 | O13 | 45.9° | 0.0° |
| O12 | C18 | C12 | H25 | 25.0° | 23.8° |
| O12 | C18 | C19 | H32 | 171.2° | 122.7° |
| O11 | C11 | C19 | C18 | 38.4° | 23.9° |
| O11 | C11 | C19 | C10 | 120.2° | 118.9° |
| O11 | C11 | C19 | H24 | 116.5° | 118.9° |
| O11 | C11 | C10 | H24 | 119.3° | 122.3° |
| O11 | C11 | C19 | O13 | 160.2° | 142.6° |
| O11 | C11 | C10 | O10 | 68.5° | 69.6° |
| O11 | C11 | C10 | H22 | 51.5° | 50.4° |
| O11 | C11 | C10 | H23 | 171.5° | 170.4° |
| C11 | O11 | C12 | H25 | 119.3° | 78.3° |
| O11 | C11 | C19 | H32 | 76.6° | 94.7° |
| C18 | C19 | C11 | O13 | 121.8° | 118.7° |
| C18 | C19 | C11 | H32 | 115.0° | 118.7° |
| C18 | C19 | C11 | C10 | 158.6° | 142.8° |
| C18 | C19 | O13 | H32 | 124.5° | 122.7° |
| C18 | C19 | C11 | H24 | 78.1° | 95.0° |
| C19 | C18 | C12 | H25 | 144.4° | 94.8° |
| C19 | C18 | O12 | H31 | 69.2° | 65.4° |
| C18 | C19 | O13 | H33 | 180.0° | 65.4° |
| C19 | C11 | C10 | H24 | 123.1° | 122.3° |
| C11 | C19 | O13 | H32 | 122.3° | 122.6° |
| C19 | C11 | C10 | O10 | 49.1° | 174.9° |
| C19 | C11 | C10 | H22 | 169.1° | 65.0° |
| C19 | C11 | C10 | H23 | 71.0° | 55.0° |
| C11 | C19 | C18 | H30 | 157.5° | 118.7° |
| C11 | C19 | O13 | H33 | 66.8° | 180.0° |
| C10 | C11 | C19 | O13 | 79.6° | 98.5° |
| C11 | C10 | O10 | H22 | 120.0° | 120.0° |
| C11 | C10 | O10 | H23 | 120.0° | 119.9° |
| C11 | C10 | O10 | P2 | 129.5° | 180.0° |
| C11 | C10 | H22 | H23 | 120.0° | 120.0° |
| C10 | C11 | C19 | H32 | 43.6° | 24.1° |
| O13 | C19 | C11 | H24 | 43.7° | 23.7° |
| O13 | C19 | C18 | H30 | 82.9° | 122.7° |
| C10 | O10 | P2 | O9 | 168.8° | 54.9° |
| C10 | O10 | P2 | O7 | 50.5° | 175.0° |
| C10 | O10 | P2 | O8 | 54.8° | 65.1° |
| O10 | C10 | H22 | H23 | 120.0° | 120.0° |
| O10 | C10 | C11 | H24 | 172.2° | 52.7° |
| O10 | P2 | O9 | O7 | 109.3° | 120.0° |
| O10 | P2 | O9 | O8 | 129.9° | 120.0° |
| O10 | P2 | O7 | O8 | 113.7° | 120.0° |
| O10 | P2 | O7 | P1 | 76.0° | 160.0° |
| O10 | P2 | O8 | H21 | 128.2° | 60.0° |
| P2 | O10 | C10 | H22 | 110.5° | 59.9° |
| P2 | O10 | C10 | H23 | 9.5° | 60.1° |
| O14 | C20 | C8 | C9 | 128.5° | 86.7° |
| O14 | C20 | C8 | C21 | 119.7° | 118.0° |
| O14 | C20 | C8 | H34 | 122.0° | 124.2° |
| O14 | C20 | C8 | O3 | 110.1° | 154.3° |
| O14 | C20 | C21 | H34 | 126.8° | 124.1° |
| O14 | C20 | C21 | O15 | 35.5° | 33.9° |
| O14 | C20 | C21 | C7 | 87.6° | 152.0° |
| O14 | C20 | C8 | H17 | 6.9° | 35.5° |
| O14 | C20 | C21 | H36 | 158.1° | 89.5° |
| O6 | P1 | O7 | P2 | 23.2° | 45.0° |
| O6 | P1 | O4 | C9 | 66.9° | 55.1° |
| O6 | P1 | O4 | O7 | 115.3° | 120.0° |
| O6 | P1 | O4 | O5 | 135.5° | 120.0° |
| O6 | P1 | O7 | O5 | 135.7° | 120.0° |
| O6 | P1 | O5 | H20 | 0.0° | 180.0° |
| O9 | P2 | O7 | O8 | 132.9° | 120.0° |
| O9 | P2 | O7 | P1 | 37.4° | 40.0° |
| O9 | P2 | O8 | H21 | 0.0° | 180.0° |
| P2 | O7 | P1 | O4 | 137.2° | 164.9° |
| P2 | O7 | P1 | O5 | 112.4° | 75.0° |
| O7 | P2 | O8 | H21 | 126.7° | 60.0° |
| O8 | P2 | O7 | P1 | 170.3° | 80.0° |
| C8 | C9 | O4 | H18 | 119.9° | 120.0° |
| C8 | C9 | O4 | H19 | 119.9° | 120.0° |
| C9 | C8 | C20 | O3 | 121.3° | 119.0° |
| C9 | C8 | C20 | H17 | 121.6° | 122.2° |
| C9 | C8 | O3 | H17 | 118.9° | 122.2° |
| C8 | C9 | O4 | P1 | 169.6° | 180.0° |
| C9 | C8 | C20 | C21 | 111.8° | 155.4° |
| C9 | C8 | O3 | C7 | 138.0° | 143.4° |
| C8 | C9 | H18 | H19 | 120.2° | 120.0° |
| C9 | C8 | C20 | H34 | 6.5° | 37.5° |
| O4 | C9 | C8 | C20 | 175.0° | 175.0° |
| O4 | C9 | C8 | O3 | 55.9° | 69.3° |
| C9 | O4 | P1 | O7 | 177.8° | 175.0° |
| C9 | O4 | P1 | O5 | 68.6° | 64.9° |
| O4 | C9 | C8 | H17 | 63.5° | 52.8° |
| O4 | C9 | H18 | H19 | 120.2° | 120.0° |
| C20 | C8 | O3 | H17 | 116.4° | 118.9° |
| C8 | C20 | C21 | H34 | 118.4° | 117.9° |
| C20 | C8 | O3 | C7 | 13.3° | 24.5° |
| C8 | C20 | C21 | O15 | 150.2° | 84.0° |
| C8 | C20 | C21 | C7 | 27.2° | 34.0° |
| C20 | C8 | C9 | H18 | 65.0° | 55.0° |
| C20 | C8 | C9 | H19 | 55.1° | 65.0° |
| C8 | C20 | O14 | H35 | 180.0° | 180.0° |
| C8 | C20 | C21 | H36 | 87.1° | 152.5° |
| O3 | C8 | C20 | C21 | 9.6° | 36.4° |
| C8 | O3 | C7 | N4 | 88.2° | 117.8° |
| C8 | O3 | C7 | C21 | 31.4° | 1.8° |
| C8 | O3 | C7 | H16 | 149.7° | 121.3° |
| O3 | C8 | C9 | H18 | 175.9° | 170.8° |
| O3 | C8 | C9 | H19 | 64.0° | 50.7° |
| O3 | C8 | C20 | H34 | 127.9° | 81.5° |
| O4 | P1 | O7 | O5 | 110.4° | 120.0° |
| P1 | O4 | C9 | H18 | 70.4° | 60.1° |
| P1 | O4 | C9 | H19 | 49.7° | 59.9° |
| O4 | P1 | O5 | H20 | 129.3° | 60.0° |
| C20 | C21 | C7 | N4 | 82.6° | 140.8° |
| C20 | C21 | C7 | O3 | 35.7° | 21.2° |
| C20 | C21 | O15 | C7 | 117.7° | 112.7° |
| C20 | C21 | O15 | H36 | 122.0° | 123.5° |
| C20 | C21 | C7 | H36 | 113.9° | 118.3° |
| C20 | C21 | C7 | H16 | 155.0° | 98.3° |
| C21 | C20 | C8 | H17 | 126.7° | 82.5° |
| C21 | C20 | O14 | H35 | 66.5° | 68.4° |
| C20 | C21 | O15 | H37 | 180.0° | 180.0° |
| O7 | P1 | O5 | H20 | 130.2° | 60.0° |
| N2 | C2 | C3 | H4 | 120.1° | 120.0° |
| N2 | C2 | C3 | H5 | 120.1° | 120.0° |
| C2 | N2 | C1 | H3 | 180.0° | 180.0° |
| C2 | N2 | C1 | N4 | 165.1° | 180.0° |
| C2 | N2 | C1 | N1 | 13.3° | 0.0° |
| N2 | C2 | C3 | C4 | 64.0° | 180.0° |
| N2 | C2 | H4 | H5 | 119.7° | 120.0° |
| N2 | C2 | C3 | H6 | 56.4° | 60.0° |
| N2 | C2 | C3 | H7 | 175.7° | 59.9° |
| C3 | C2 | N2 | C1 | 130.6° | 180.0° |
| C2 | C3 | C4 | H6 | 120.4° | 120.0° |
| C2 | C3 | C4 | H7 | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 158.0° | 180.0° |
| C3 | C2 | N2 | H3 | 49.4° | 0.0° |
| C3 | C2 | H4 | H5 | 119.7° | 120.0° |
| C2 | C3 | H6 | H7 | 118.8° | 119.9° |
| C2 | C3 | C4 | H8 | 37.3° | 60.0° |
| C2 | C3 | C4 | H9 | 81.4° | 60.0° |
| N2 | C1 | N4 | N1 | 178.4° | 180.0° |
| N2 | C1 | N4 | C7 | 163.4° | 5.4° |
| N2 | C1 | N1 | H1 | 178.4° | 175.0° |
| C1 | N2 | C2 | H4 | 109.4° | 60.0° |
| C1 | N2 | C2 | H5 | 10.4° | 60.0° |
| N2 | C1 | N4 | H15 | 16.6° | 174.7° |
| C1 | N4 | C7 | H15 | 180.0° | 179.9° |
| C1 | N4 | C7 | O3 | 56.9° | 93.8° |
| C1 | N4 | C7 | C21 | 172.4° | 147.9° |
| N4 | C1 | N1 | H1 | 0.0° | 5.0° |
| N4 | C1 | N2 | H3 | 14.9° | 0.0° |
| C1 | N4 | C7 | H16 | 65.6° | 27.1° |
| N1 | C1 | N4 | C7 | 18.1° | 174.6° |
| N1 | C1 | N2 | H3 | 166.7° | 180.0° |
| N1 | C1 | N4 | H15 | 161.8° | 5.3° |
| N4 | C7 | O3 | C21 | 119.5° | 119.6° |
| N4 | C7 | O3 | H16 | 122.1° | 120.9° |
| N4 | C7 | C21 | O15 | 42.7° | 22.7° |
| N4 | C7 | C21 | H16 | 122.5° | 120.9° |
| N4 | C7 | C21 | H36 | 163.5° | 100.9° |
| O3 | C7 | C21 | O15 | 160.9° | 96.9° |
| O3 | C7 | C21 | H16 | 119.3° | 119.5° |
| O3 | C7 | N4 | H15 | 123.1° | 86.3° |
| C7 | O3 | C8 | H17 | 103.1° | 94.4° |
| O3 | C7 | C21 | H36 | 78.2° | 139.5° |
| C3 | C4 | C5 | H8 | 120.6° | 120.0° |
| C3 | C4 | C5 | H9 | 120.6° | 119.9° |
| C3 | C4 | C5 | N3 | 81.9° | 65.0° |
| C3 | C4 | C5 | C6 | 155.6° | 175.0° |
| C4 | C3 | C2 | H4 | 175.9° | 60.0° |
| C4 | C3 | C2 | H5 | 56.1° | 60.0° |
| C4 | C3 | H6 | H7 | 118.9° | 120.0° |
| C3 | C4 | H8 | H9 | 118.0° | 119.9° |
| C3 | C4 | C5 | H10 | 37.1° | 55.0° |
| O15 | C21 | C7 | H36 | 120.9° | 123.6° |
| O15 | C21 | C7 | H16 | 79.8° | 143.6° |
| O15 | C21 | C20 | H34 | 91.4° | 158.0° |
| C21 | C7 | N4 | H15 | 7.6° | 32.0° |
| C7 | C21 | C20 | H34 | 145.6° | 84.0° |
| C7 | C21 | O15 | H37 | 62.3° | 67.3° |
| C4 | C5 | N3 | C6 | 121.6° | 120.0° |
| C4 | C5 | N3 | H10 | 118.7° | 120.0° |
| C4 | C5 | C6 | H10 | 118.5° | 120.0° |
| C4 | C5 | C6 | O1 | 73.0° | 100.0° |
| C4 | C5 | C6 | O2 | 104.3° | 80.0° |
| C5 | C4 | C3 | H6 | 81.7° | 60.0° |
| C5 | C4 | C3 | H7 | 37.6° | 60.0° |
| C5 | C4 | H8 | H9 | 118.1° | 120.1° |
| C4 | C5 | N3 | H11 | 180.0° | 60.0° |
| C4 | C5 | N3 | H12 | 60.0° | 63.9° |
| N3 | C5 | C6 | H10 | 120.0° | 120.0° |
| N3 | C5 | C6 | O1 | 165.6° | 20.0° |
| N3 | C5 | C6 | O2 | 17.2° | 160.0° |
| N3 | C5 | C4 | H8 | 157.4° | 175.0° |
| N3 | C5 | C4 | H9 | 38.7° | 55.0° |
| C5 | N3 | H11 | H12 | 120.0° | 123.9° |
| C5 | C6 | O1 | O2 | 177.0° | 180.0° |
| C6 | C5 | C4 | H8 | 35.0° | 55.0° |
| C6 | C5 | C4 | H9 | 83.8° | 65.1° |
| C6 | C5 | N3 | H11 | 58.4° | 60.0° |
| C6 | C5 | N3 | H12 | 61.6° | 176.1° |
| C5 | C6 | O2 | H14 | 177.0° | 180.0° |
| O1 | C6 | C5 | H10 | 45.5° | 140.0° |
| O1 | C6 | O2 | H14 | 0.0° | 0.0° |
| O2 | C6 | C5 | H10 | 137.2° | 40.0° |
| H3 | N2 | C2 | H4 | 70.6° | 120.0° |
| H3 | N2 | C2 | H5 | 169.6° | 120.0° |
| H4 | C2 | C3 | H6 | 63.7° | 179.9° |
| H4 | C2 | C3 | H7 | 55.6° | 60.0° |
| H5 | C2 | C3 | H6 | 176.5° | 60.0° |
| H5 | C2 | C3 | H7 | 64.2° | 180.0° |
| H6 | C3 | C4 | H8 | 157.7° | 180.0° |
| H6 | C3 | C4 | H9 | 39.0° | 60.0° |
| H7 | C3 | C4 | H8 | 83.0° | 60.1° |
| H7 | C3 | C4 | H9 | 158.3° | 180.0° |
| H8 | C4 | C5 | H10 | 83.5° | 65.0° |
| H9 | C4 | C5 | H10 | 157.7° | 175.0° |
| H10 | C5 | N3 | H11 | 61.3° | 180.0° |
| H10 | C5 | N3 | H12 | 178.7° | 56.1° |
| H15 | N4 | C7 | H16 | 114.5° | 152.8° |
| H16 | C7 | C21 | H36 | 41.0° | 20.0° |
| H17 | C8 | C9 | H18 | 56.5° | 67.1° |
| H17 | C8 | C9 | H19 | 176.6° | 172.9° |
| H17 | C8 | C20 | H34 | 115.0° | 159.7° |
| H22 | C10 | C11 | H24 | 67.8° | 172.7° |
| H23 | C10 | C11 | H24 | 52.2° | 67.3° |
| H24 | C11 | C19 | H32 | 166.9° | 146.4° |
| H25 | C12 | C18 | H30 | 97.6° | 146.5° |
| H30 | C18 | O12 | H31 | 58.6° | 57.3° |
| H30 | C18 | C19 | H32 | 42.5° | 0.1° |
| H32 | C19 | O13 | H33 | 55.4° | 57.4° |
| H34 | C20 | O14 | H35 | 59.2° | 55.7° |
| H34 | C20 | C21 | H36 | 31.3° | 34.6° |
| H36 | C21 | O15 | H37 | 58.0° | 56.5° |
