AKW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P3 | doub | 1.48Å | 1.49Å | |
| S1 | P3 | sing | 2.12Å | 2.07Å | |
| O8 | P3 | sing | 1.61Å | 1.48Å | |
| P3 | O6 | sing | 1.61Å | 1.62Å | |
| O10 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| S2 | C1 | sing | 1.81Å | 1.84Å | |
| S2 | P1 | sing | 2.12Å | 2.11Å | |
| O6 | P2 | sing | 1.61Å | 1.62Å | |
| C4 | O11 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| N4 | C10 | sing | 1.37Å | 1.33Å | |
| N5 | C10 | doub | 1.32Å | 1.34Å | |
| N5 | C11 | sing | 1.34Å | 1.33Å | |
| O12 | C11 | doub | 1.22Å | 1.37Å | |
| C10 | N3 | sing | 1.36Å | 1.35Å | |
| C11 | C8 | sing | 1.47Å | 1.34Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| N3 | C9 | sing | 1.37Å | 1.35Å | |
| C8 | C9 | doub | 1.39Å | 1.34Å | Aromatic |
| C8 | N2 | sing | 1.35Å | 1.33Å | Aromatic |
| O5 | P2 | doub | 1.48Å | 1.48Å | |
| C2 | O9 | sing | 1.44Å | 1.44Å | |
| O3 | P2 | sing | 1.61Å | 1.62Å | |
| O3 | P1 | sing | 1.61Å | 1.60Å | |
| O2 | P1 | doub | 1.48Å | 1.48Å | |
| C9 | N1 | sing | 1.36Å | 1.32Å | Aromatic |
| C7 | N2 | sing | 1.46Å | 1.48Å | |
| N2 | C6 | doub | 1.30Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.36Å | 1.32Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| P2 | O4 | sing | 1.61Å | 1.48Å | |
| P1 | O1 | sing | 1.61Å | 1.49Å | |
| C5 | O9 | sing | 1.44Å | 1.48Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| O8 | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| O10 | H9 | sing | 0.97Å | 0.95Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | O13 | sing | 1.44Å | 0.00Å | |
| O13 | C20 | sing | 1.43Å | 0.00Å | |
| C20 | C12 | sing | 1.54Å | 0.00Å | |
| C12 | C13 | sing | 1.55Å | 0.00Å | |
| C13 | C14 | sing | 1.55Å | 0.00Å | |
| C20 | H1 | sing | 1.09Å | 0.00Å | |
| C14 | H20 | sing | 1.09Å | 0.00Å | |
| C12 | H22 | sing | 1.09Å | 0.00Å | |
| C13 | H24 | sing | 1.09Å | 0.00Å | |
| C14 | N6 | sing | 1.46Å | 0.00Å | |
| N7 | C17 | sing | 1.36Å | 0.00Å | Aromatic |
| C17 | C15 | doub | 1.40Å | 0.00Å | Aromatic |
| C15 | N6 | sing | 1.37Å | 0.00Å | Aromatic |
| N6 | C16 | sing | 1.36Å | 0.00Å | Aromatic |
| C16 | N7 | doub | 1.30Å | 0.00Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 0.00Å | |
| C18 | N8 | sing | 1.35Å | 0.00Å | |
| N8 | C19 | sing | 1.36Å | 0.00Å | |
| C19 | N9 | doub | 1.31Å | 0.00Å | |
| N9 | C15 | sing | 1.34Å | 0.00Å | |
| C19 | N11 | sing | 1.37Å | 0.00Å | |
| C16 | H28 | sing | 1.08Å | 0.00Å | |
| N11 | H26 | sing | 0.97Å | 0.00Å | |
| N11 | H27 | sing | 0.97Å | 0.00Å | |
| O14 | C12 | sing | 1.43Å | 0.00Å | |
| O15 | C13 | sing | 1.43Å | 0.00Å | |
| O14 | H23 | sing | 0.97Å | 0.00Å | |
| O15 | H25 | sing | 0.97Å | 0.00Å | |
| C18 | O16 | doub | 1.22Å | 0.00Å | |
| N8 | H21 | sing | 0.97Å | 0.00Å | |
| C21 | C20 | sing | 1.53Å | 0.00Å | |
| C21 | S1 | sing | 1.81Å | 99.34Å | |
| C21 | H29 | sing | 1.09Å | 0.00Å | |
| C21 | H30 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P3 | S1 | 113.5° | 109.5° |
| O7 | P3 | O8 | 105.1° | 109.4° |
| O7 | P3 | O6 | 106.0° | 109.5° |
| S1 | P3 | O8 | 111.8° | 109.5° |
| S1 | P3 | O6 | 113.8° | 109.5° |
| P3 | S1 | C21 | 114.8° | 103.0° |
| O8 | P3 | O6 | 105.9° | 109.4° |
| P3 | O8 | H4 | 109.5° | 114.0° |
| P3 | O6 | P2 | 119.7° | 134.0° |
| O10 | C3 | C4 | 110.2° | 110.5° |
| O10 | C3 | C2 | 110.4° | 110.4° |
| O10 | C3 | H8 | 112.5° | 110.5° |
| C3 | O10 | H9 | 109.5° | 114.0° |
| C4 | C3 | C2 | 100.9° | 104.2° |
| C3 | C4 | O11 | 111.6° | 110.9° |
| C3 | C4 | C5 | 98.1° | 102.1° |
| C4 | C3 | H8 | 111.2° | 110.5° |
| C3 | C4 | H10 | 112.0° | 110.9° |
| C3 | C2 | C1 | 112.1° | 109.9° |
| C3 | C2 | O9 | 103.0° | 107.2° |
| C3 | C2 | H7 | 110.2° | 110.0° |
| C2 | C3 | H8 | 111.1° | 110.5° |
| C1 | S2 | P1 | 102.7° | 103.0° |
| S2 | C1 | C2 | 113.8° | 109.5° |
| S2 | C1 | H5 | 108.3° | 109.4° |
| S2 | C1 | H6 | 108.4° | 109.4° |
| S2 | P1 | O3 | 107.4° | 109.5° |
| S2 | P1 | O2 | 105.0° | 109.5° |
| S2 | P1 | O1 | 114.5° | 109.5° |
| O6 | P2 | O5 | 104.6° | 109.5° |
| O6 | P2 | O3 | 107.5° | 109.5° |
| O6 | P2 | O4 | 113.8° | 109.4° |
| O11 | C4 | C5 | 109.3° | 110.9° |
| O11 | C4 | H10 | 113.1° | 110.8° |
| C4 | O11 | H11 | 109.5° | 114.0° |
| C4 | C5 | N1 | 115.1° | 110.6° |
| C4 | C5 | O9 | 107.0° | 103.5° |
| C5 | C4 | H10 | 111.9° | 110.9° |
| C4 | C5 | H12 | 109.1° | 110.6° |
| N4 | C10 | N5 | 119.0° | 118.7° |
| N4 | C10 | N3 | 121.3° | 118.8° |
| C10 | N4 | H18 | 120.0° | 120.0° |
| C10 | N4 | H19 | 120.0° | 120.0° |
| C10 | N5 | C11 | 120.6° | 121.4° |
| N5 | C10 | N3 | 119.7° | 122.5° |
| N5 | C11 | O12 | 118.9° | 120.7° |
| N5 | C11 | C8 | 120.6° | 118.6° |
| O12 | C11 | C8 | 120.4° | 120.7° |
| C10 | N3 | C9 | 119.1° | 120.5° |
| C10 | N3 | H17 | 120.4° | 119.7° |
| C11 | C8 | C9 | 118.8° | 118.1° |
| C11 | C8 | N2 | 134.8° | 134.5° |
| C1 | C2 | O9 | 110.3° | 109.9° |
| C2 | C1 | H5 | 108.4° | 109.5° |
| C2 | C1 | H6 | 108.4° | 109.5° |
| C1 | C2 | H7 | 109.8° | 109.9° |
| N3 | C9 | C8 | 121.1° | 118.9° |
| N3 | C9 | N1 | 130.1° | 134.7° |
| C9 | N3 | H17 | 120.4° | 119.7° |
| C9 | C8 | N2 | 106.4° | 107.4° |
| C8 | C9 | N1 | 108.7° | 106.4° |
| C8 | N2 | C7 | 131.0° | 125.4° |
| C8 | N2 | C6 | 108.7° | 109.2° |
| O5 | P2 | O3 | 104.0° | 109.5° |
| O5 | P2 | O4 | 110.9° | 109.5° |
| C2 | O9 | C5 | 106.6° | 107.0° |
| O9 | C2 | H7 | 111.4° | 109.9° |
| P2 | O3 | P1 | 122.4° | 134.0° |
| O3 | P2 | O4 | 115.0° | 109.4° |
| O3 | P1 | O2 | 102.2° | 109.5° |
| O3 | P1 | O1 | 113.7° | 109.4° |
| O2 | P1 | O1 | 112.9° | 109.5° |
| C9 | N1 | C6 | 108.4° | 107.6° |
| C9 | N1 | C5 | 124.0° | 126.2° |
| C7 | N2 | C6 | 120.3° | 125.4° |
| N2 | C7 | H14 | 109.5° | 109.6° |
| N2 | C7 | H15 | 109.5° | 109.4° |
| N2 | C7 | H16 | 109.4° | 109.5° |
| N2 | C6 | N1 | 107.7° | 109.5° |
| N2 | C6 | H13 | 126.1° | 125.2° |
| C6 | N1 | C5 | 127.5° | 126.2° |
| N1 | C6 | H13 | 126.1° | 125.3° |
| N1 | C5 | O9 | 106.2° | 110.6° |
| N1 | C5 | H12 | 109.6° | 110.7° |
| P2 | O4 | H3 | 109.5° | 114.1° |
| P1 | O1 | H2 | 109.5° | 114.0° |
| O9 | C5 | H12 | 109.8° | 110.6° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.4° | 109.4° |
| H14 | C7 | H16 | 109.5° | 109.4° |
| H15 | C7 | H16 | 109.5° | 109.4° |
| H18 | N4 | H19 | 120.0° | 120.0° |
| C14 | O13 | C20 | 90.0° | 109.9° |
| O13 | C14 | C13 | 90.0° | 105.2° |
| O13 | C14 | H20 | 90.0° | 110.3° |
| O13 | C14 | N6 | 90.0° | 110.3° |
| O13 | C20 | C12 | 90.0° | 107.6° |
| O13 | C20 | H1 | 90.0° | 109.8° |
| O13 | C20 | C21 | 90.0° | 109.8° |
| C20 | C12 | C13 | 90.0° | 102.3° |
| C12 | C20 | H1 | 90.0° | 109.9° |
| C20 | C12 | H22 | 90.0° | 110.8° |
| C20 | C12 | O14 | 90.0° | 111.0° |
| C12 | C20 | C21 | 90.0° | 109.9° |
| C12 | C13 | C14 | 90.0° | 101.0° |
| C13 | C12 | H22 | 90.0° | 110.9° |
| C12 | C13 | H24 | 90.0° | 111.1° |
| C13 | C12 | O14 | 90.0° | 110.9° |
| C12 | C13 | O15 | 90.0° | 111.1° |
| C13 | C14 | H20 | 90.0° | 110.3° |
| C14 | C13 | H24 | 90.0° | 111.1° |
| C13 | C14 | N6 | 90.0° | 110.3° |
| C14 | C13 | O15 | 90.0° | 111.1° |
| H1 | C20 | C21 | 90.0° | 109.9° |
| H20 | C14 | N6 | 90.0° | 110.4° |
| H22 | C12 | O14 | 90.0° | 110.7° |
| H24 | C13 | O15 | 90.0° | 111.0° |
| C14 | N6 | C15 | 90.0° | 126.2° |
| C14 | N6 | C16 | 90.0° | 126.3° |
| N7 | C17 | C15 | 90.0° | 107.2° |
| C17 | N7 | C16 | 90.0° | 109.4° |
| N7 | C17 | C18 | 90.0° | 134.2° |
| C17 | C15 | N6 | 90.0° | 106.1° |
| C15 | C17 | C18 | 90.0° | 118.6° |
| C17 | C15 | N9 | 90.0° | 119.6° |
| C15 | N6 | C16 | 90.0° | 107.5° |
| N6 | C15 | N9 | 90.0° | 134.2° |
| N6 | C16 | N7 | 90.0° | 109.8° |
| N6 | C16 | H28 | 90.0° | 125.1° |
| N7 | C16 | H28 | 90.0° | 125.1° |
| C17 | C18 | N8 | 90.0° | 118.4° |
| C17 | C18 | O16 | 90.0° | 120.8° |
| C18 | N8 | C19 | 90.0° | 120.3° |
| N8 | C18 | O16 | 90.0° | 120.8° |
| C18 | N8 | H21 | 90.0° | 119.8° |
| N8 | C19 | N9 | 90.0° | 121.9° |
| N8 | C19 | N11 | 90.0° | 119.0° |
| C19 | N8 | H21 | 90.0° | 119.9° |
| C19 | N9 | C15 | 90.0° | 121.2° |
| N9 | C19 | N11 | 90.0° | 119.1° |
| C19 | N11 | H26 | 90.0° | 120.0° |
| C19 | N11 | H27 | 90.0° | 120.0° |
| H26 | N11 | H27 | 90.0° | 120.0° |
| C12 | O14 | H23 | 90.0° | 114.0° |
| C13 | O15 | H25 | 90.0° | 114.0° |
| C20 | C21 | S1 | 90.0° | 109.5° |
| C20 | C21 | H29 | 90.0° | 109.5° |
| C20 | C21 | H30 | 90.0° | 109.5° |
| S1 | C21 | H29 | 90.0° | 109.4° |
| S1 | C21 | H30 | 90.0° | 109.5° |
| H29 | C21 | H30 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P3 | S1 | O8 | 118.7° | 120.0° |
| O7 | P3 | S1 | O6 | 121.3° | 120.1° |
| O7 | P3 | O8 | O6 | 111.9° | 120.0° |
| O7 | P3 | O6 | P2 | 151.4° | 59.9° |
| O7 | P3 | O8 | H4 | 0.0° | 180.0° |
| O7 | P3 | S1 | C21 | 157.4° | 65.5° |
| S1 | P3 | O8 | O6 | 124.5° | 120.0° |
| S1 | P3 | O6 | P2 | 83.2° | 180.0° |
| S1 | P3 | O8 | H4 | 123.6° | 60.0° |
| P3 | S1 | C21 | C20 | 90.0° | 76.0° |
| P3 | S1 | C21 | H29 | 90.0° | 44.0° |
| P3 | S1 | C21 | H30 | 90.0° | 163.9° |
| O8 | P3 | O6 | P2 | 40.1° | 60.1° |
| O8 | P3 | S1 | C21 | 38.7° | 54.5° |
| P3 | O6 | P2 | O5 | 37.0° | 44.9° |
| P3 | O6 | P2 | O3 | 73.2° | 165.0° |
| P3 | O6 | P2 | O4 | 158.2° | 75.1° |
| O6 | P3 | O8 | H4 | 111.9° | 60.0° |
| O6 | P3 | S1 | C21 | 81.3° | 174.5° |
| O10 | C3 | C4 | C2 | 116.7° | 118.7° |
| O10 | C3 | C4 | H8 | 125.4° | 122.7° |
| O10 | C3 | C2 | H8 | 125.5° | 122.6° |
| O10 | C3 | C4 | O11 | 48.8° | 20.4° |
| O10 | C3 | C4 | C5 | 163.3° | 97.8° |
| O10 | C3 | C2 | C1 | 78.9° | 119.8° |
| O10 | C3 | C2 | O9 | 162.6° | 120.7° |
| O10 | C3 | C2 | H7 | 43.7° | 1.3° |
| O10 | C3 | C4 | H10 | 79.1° | 144.0° |
| C4 | C3 | C2 | H8 | 118.0° | 118.7° |
| C3 | C4 | O11 | C5 | 107.4° | 112.7° |
| C3 | C4 | O11 | H10 | 127.3° | 123.6° |
| C3 | C4 | C5 | H10 | 117.6° | 118.2° |
| C4 | C3 | C2 | C1 | 164.6° | 121.5° |
| C4 | C3 | C2 | O9 | 46.1° | 2.0° |
| C3 | C4 | C5 | N1 | 85.4° | 155.5° |
| C3 | C4 | C5 | O9 | 32.3° | 37.0° |
| C4 | C3 | C2 | H7 | 72.7° | 117.4° |
| C4 | C3 | O10 | H9 | 180.0° | 61.4° |
| C3 | C4 | O11 | H11 | 180.0° | 61.5° |
| C3 | C4 | C5 | H12 | 151.0° | 81.5° |
| C3 | C2 | C1 | S2 | 42.6° | 175.7° |
| C2 | C3 | C4 | O11 | 67.9° | 139.1° |
| C2 | C3 | C4 | C5 | 46.7° | 20.9° |
| C3 | C2 | C1 | O9 | 114.1° | 117.8° |
| C3 | C2 | C1 | H7 | 122.9° | 121.2° |
| C3 | C2 | O9 | H7 | 118.1° | 119.6° |
| C3 | C2 | O9 | C5 | 25.3° | 26.5° |
| C3 | C2 | C1 | H5 | 78.0° | 64.3° |
| C3 | C2 | C1 | H6 | 163.3° | 55.8° |
| C2 | C3 | O10 | H9 | 69.5° | 176.2° |
| C2 | C3 | C4 | H10 | 164.2° | 97.4° |
| S2 | C1 | C2 | H5 | 120.6° | 120.0° |
| S2 | C1 | C2 | H6 | 120.7° | 120.0° |
| S2 | C1 | C2 | O9 | 71.4° | 66.5° |
| C1 | S2 | P1 | O3 | 91.2° | 180.0° |
| C1 | S2 | P1 | O2 | 160.6° | 60.0° |
| C1 | S2 | P1 | O1 | 36.2° | 60.0° |
| S2 | C1 | H5 | H6 | 118.0° | 120.0° |
| S2 | C1 | C2 | H7 | 165.5° | 54.5° |
| P1 | S2 | C1 | C2 | 127.2° | 75.0° |
| S2 | P1 | O3 | P2 | 74.3° | 179.9° |
| S2 | P1 | O3 | O2 | 110.2° | 120.0° |
| S2 | P1 | O3 | O1 | 127.8° | 120.0° |
| S2 | P1 | O2 | O1 | 125.4° | 120.0° |
| S2 | P1 | O1 | H2 | 120.0° | 60.0° |
| P1 | S2 | C1 | H5 | 112.2° | 165.0° |
| P1 | S2 | C1 | H6 | 6.5° | 45.0° |
| O6 | P2 | O5 | O3 | 112.7° | 120.0° |
| O6 | P2 | O5 | O4 | 123.1° | 120.0° |
| O6 | P2 | O3 | O4 | 127.9° | 119.9° |
| O6 | P2 | O3 | P1 | 76.2° | 160.0° |
| O6 | P2 | O4 | H3 | 117.7° | 60.0° |
| O11 | C4 | C5 | H10 | 126.1° | 123.6° |
| O11 | C4 | C5 | N1 | 158.3° | 86.3° |
| O11 | C4 | C5 | O9 | 84.0° | 155.2° |
| O11 | C4 | C3 | H8 | 174.2° | 102.2° |
| O11 | C4 | C5 | H12 | 34.7° | 36.7° |
| C4 | C5 | O9 | C2 | 4.7° | 40.1° |
| C4 | C5 | N1 | C9 | 72.6° | 84.7° |
| C4 | C5 | N1 | C6 | 109.5° | 95.0° |
| C4 | C5 | N1 | O9 | 118.2° | 114.1° |
| C4 | C5 | N1 | H12 | 123.3° | 123.0° |
| C4 | C5 | O9 | H12 | 118.2° | 118.5° |
| C5 | C4 | C3 | H8 | 71.3° | 139.6° |
| C5 | C4 | O11 | H11 | 72.6° | 174.2° |
| N4 | C10 | N5 | N3 | 179.8° | 180.0° |
| N4 | C10 | N5 | C11 | 179.5° | 179.6° |
| N4 | C10 | N3 | C9 | 179.6° | 180.0° |
| N4 | C10 | N3 | H17 | 0.3° | 0.0° |
| C10 | N4 | H18 | H19 | 180.0° | 180.0° |
| C10 | N5 | C11 | O12 | 179.5° | 180.0° |
| C10 | N5 | C11 | C8 | 0.8° | 0.9° |
| N5 | C10 | N3 | C9 | 0.6° | 0.0° |
| N5 | C10 | N3 | H17 | 179.4° | 180.0° |
| N5 | C10 | N4 | H18 | 0.0° | 180.0° |
| N5 | C10 | N4 | H19 | 180.0° | 0.0° |
| N5 | C11 | O12 | C8 | 178.7° | 179.1° |
| C11 | N5 | C10 | N3 | 0.7° | 0.4° |
| N5 | C11 | C8 | C9 | 0.7° | 0.9° |
| N5 | C11 | C8 | N2 | 179.5° | 179.7° |
| O12 | C11 | C8 | C9 | 179.4° | 180.0° |
| O12 | C11 | C8 | N2 | 0.8° | 0.6° |
| C10 | N3 | C9 | H17 | 180.0° | 180.0° |
| C10 | N3 | C9 | C8 | 0.5° | 0.0° |
| C10 | N3 | C9 | N1 | 179.8° | 179.4° |
| N3 | C10 | N4 | H18 | 179.8° | 0.0° |
| N3 | C10 | N4 | H19 | 0.2° | 180.0° |
| C11 | C8 | C9 | N3 | 0.6° | 0.5° |
| C11 | C8 | C9 | N2 | 179.8° | 179.5° |
| C11 | C8 | C9 | N1 | 180.0° | 180.0° |
| C11 | C8 | N2 | C7 | 0.2° | 0.2° |
| C11 | C8 | N2 | C6 | 179.7° | 179.7° |
| C1 | C2 | O9 | H7 | 122.2° | 121.0° |
| C1 | C2 | O9 | C5 | 145.0° | 145.9° |
| C2 | C1 | H5 | H6 | 118.0° | 120.0° |
| C1 | C2 | C3 | H8 | 46.6° | 2.7° |
| N3 | C9 | C8 | N1 | 179.4° | 179.6° |
| N3 | C9 | C8 | N2 | 179.6° | 180.0° |
| N3 | C9 | N1 | C6 | 179.8° | 179.9° |
| N3 | C9 | N1 | C5 | 2.0° | 0.4° |
| C9 | C8 | N2 | C7 | 179.9° | 179.7° |
| C9 | C8 | N2 | C6 | 0.1° | 0.3° |
| C8 | C9 | N1 | C6 | 0.4° | 0.4° |
| C8 | C9 | N1 | C5 | 178.7° | 179.8° |
| C8 | C9 | N3 | H17 | 179.5° | 179.9° |
| N2 | C8 | C9 | N1 | 0.2° | 0.4° |
| C8 | N2 | C7 | C6 | 179.8° | 179.9° |
| C8 | N2 | C6 | N1 | 0.4° | 0.0° |
| C8 | N2 | C6 | H13 | 179.6° | 180.0° |
| C8 | N2 | C7 | H14 | 180.0° | 90.0° |
| C8 | N2 | C7 | H15 | 60.0° | 30.0° |
| C8 | N2 | C7 | H16 | 60.0° | 150.0° |
| O5 | P2 | O3 | O4 | 121.5° | 120.0° |
| O5 | P2 | O3 | P1 | 173.2° | 39.9° |
| O5 | P2 | O4 | H3 | 0.0° | 180.0° |
| C2 | O9 | C5 | N1 | 118.7° | 158.6° |
| O9 | C2 | C1 | H5 | 167.9° | 53.5° |
| O9 | C2 | C1 | H6 | 49.2° | 173.5° |
| O9 | C2 | C3 | H8 | 71.9° | 116.7° |
| C2 | O9 | C5 | H12 | 123.0° | 78.5° |
| P2 | O3 | P1 | O2 | 175.5° | 59.9° |
| P2 | O3 | P1 | O1 | 53.5° | 60.1° |
| O3 | P2 | O4 | H3 | 117.6° | 60.0° |
| O3 | P1 | O2 | O1 | 122.6° | 120.0° |
| P1 | O3 | P2 | O4 | 51.7° | 80.1° |
| O3 | P1 | O1 | H2 | 115.9° | 60.0° |
| O2 | P1 | O1 | H2 | 0.0° | 180.0° |
| C9 | N1 | C6 | N2 | 0.5° | 0.3° |
| C9 | N1 | C6 | C5 | 178.2° | 179.7° |
| C9 | N1 | C5 | O9 | 169.2° | 161.2° |
| C9 | N1 | C5 | H12 | 50.7° | 38.2° |
| C9 | N1 | C6 | H13 | 179.5° | 179.7° |
| N1 | C9 | N3 | H17 | 0.2° | 0.5° |
| C7 | N2 | C6 | N1 | 179.8° | 179.9° |
| C7 | N2 | C6 | H13 | 0.3° | 0.1° |
| N2 | C7 | H14 | H15 | 120.0° | 120.0° |
| N2 | C7 | H14 | H16 | 120.0° | 120.1° |
| N2 | C7 | H15 | H16 | 120.0° | 120.0° |
| N2 | C6 | N1 | H13 | 180.0° | 180.0° |
| N2 | C6 | N1 | C5 | 178.7° | 180.0° |
| C6 | N2 | C7 | H14 | 0.2° | 90.0° |
| C6 | N2 | C7 | H15 | 120.2° | 150.1° |
| C6 | N2 | C7 | H16 | 119.8° | 30.1° |
| C6 | N1 | C5 | O9 | 8.7° | 19.1° |
| C6 | N1 | C5 | H12 | 127.2° | 142.1° |
| N1 | C5 | O9 | H12 | 118.4° | 123.0° |
| N1 | C5 | C4 | H10 | 32.3° | 37.3° |
| C5 | N1 | C6 | H13 | 1.3° | 0.0° |
| C5 | O9 | C2 | H7 | 92.8° | 93.0° |
| O9 | C5 | C4 | H10 | 150.0° | 81.2° |
| H5 | C1 | C2 | H7 | 44.9° | 174.5° |
| H6 | C1 | C2 | H7 | 73.9° | 65.4° |
| H7 | C2 | C3 | H8 | 169.3° | 123.9° |
| H8 | C3 | O10 | H9 | 55.3° | 61.2° |
| H8 | C3 | C4 | H10 | 46.3° | 21.3° |
| H10 | C4 | O11 | H11 | 52.8° | 62.1° |
| H10 | C4 | C5 | H12 | 91.3° | 160.3° |
| H14 | C7 | H15 | H16 | 120.0° | 119.9° |
| C14 | O13 | C20 | C12 | 90.0° | 1.7° |
| O13 | C14 | C13 | C12 | 90.0° | 36.4° |
| O13 | C14 | C13 | H20 | 90.0° | 118.9° |
| O13 | C14 | C13 | N6 | 90.0° | 118.9° |
| C14 | O13 | C20 | H1 | 90.0° | 121.2° |
| O13 | C14 | H20 | N6 | 90.0° | 122.1° |
| O13 | C14 | C13 | H24 | 90.0° | 154.3° |
| O13 | C14 | N6 | C15 | 90.0° | 159.0° |
| O13 | C14 | N6 | C16 | 90.0° | 20.7° |
| O13 | C14 | C13 | O15 | 90.0° | 81.5° |
| C14 | O13 | C20 | C21 | 90.0° | 117.8° |
| O13 | C20 | C12 | H1 | 90.0° | 119.5° |
| O13 | C20 | C12 | C21 | 90.0° | 119.5° |
| O13 | C20 | C12 | C13 | 90.0° | 21.4° |
| C20 | O13 | C14 | C13 | 90.0° | 24.4° |
| O13 | C20 | H1 | C21 | 90.0° | 120.9° |
| C20 | O13 | C14 | H20 | 90.0° | 94.5° |
| O13 | C20 | C12 | H22 | 90.0° | 96.9° |
| C20 | O13 | C14 | N6 | 90.0° | 143.3° |
| O13 | C20 | C12 | O14 | 90.0° | 139.7° |
| O13 | C20 | C21 | S1 | 90.0° | 64.5° |
| O13 | C20 | C21 | H29 | 90.0° | 175.6° |
| O13 | C20 | C21 | H30 | 90.0° | 55.6° |
| C20 | C12 | C13 | H22 | 90.0° | 118.2° |
| C20 | C12 | C13 | O14 | 90.0° | 118.4° |
| C20 | C12 | C13 | C14 | 90.0° | 34.1° |
| C12 | C20 | H1 | C21 | 90.0° | 121.0° |
| C20 | C12 | H22 | O14 | 90.0° | 123.6° |
| C20 | C12 | C13 | H24 | 90.0° | 152.1° |
| C20 | C12 | C13 | O15 | 90.0° | 83.8° |
| C20 | C12 | O14 | H23 | 90.0° | 174.4° |
| C12 | C20 | C21 | S1 | 90.0° | 177.4° |
| C12 | C20 | C21 | H29 | 90.0° | 57.5° |
| C12 | C20 | C21 | H30 | 90.0° | 62.5° |
| C12 | C13 | C14 | H24 | 90.0° | 117.9° |
| C12 | C13 | C14 | O15 | 90.0° | 117.9° |
| C13 | C12 | C20 | H1 | 90.0° | 98.1° |
| C12 | C13 | C14 | H20 | 90.0° | 82.4° |
| C13 | C12 | H22 | O14 | 90.0° | 123.5° |
| C12 | C13 | H24 | O15 | 90.0° | 124.2° |
| C12 | C13 | C14 | N6 | 90.0° | 155.3° |
| C13 | C12 | O14 | H23 | 90.0° | 61.5° |
| C12 | C13 | O15 | H25 | 90.0° | 61.4° |
| C13 | C12 | C20 | C21 | 90.0° | 140.8° |
| C13 | C14 | H20 | N6 | 90.0° | 122.2° |
| C14 | C13 | C12 | H22 | 90.0° | 84.0° |
| C14 | C13 | H24 | O15 | 90.0° | 124.3° |
| C13 | C14 | N6 | C15 | 90.0° | 85.3° |
| C13 | C14 | N6 | C16 | 90.0° | 95.0° |
| C14 | C13 | C12 | O14 | 90.0° | 152.5° |
| C14 | C13 | O15 | H25 | 90.0° | 173.0° |
| H1 | C20 | C12 | H22 | 90.0° | 143.6° |
| H1 | C20 | C12 | O14 | 90.0° | 20.2° |
| H1 | C20 | C21 | S1 | 90.0° | 56.4° |
| H1 | C20 | C21 | H29 | 90.0° | 63.5° |
| H1 | C20 | C21 | H30 | 90.0° | 176.5° |
| H20 | C14 | C13 | H24 | 90.0° | 35.4° |
| H20 | C14 | N6 | C15 | 90.0° | 36.9° |
| H20 | C14 | N6 | C16 | 90.0° | 142.8° |
| H20 | C14 | C13 | O15 | 90.0° | 159.6° |
| H22 | C12 | C13 | H24 | 90.0° | 33.9° |
| H22 | C12 | C13 | O15 | 90.0° | 158.0° |
| H22 | C12 | O14 | H23 | 90.0° | 62.1° |
| H22 | C12 | C20 | C21 | 90.0° | 22.6° |
| H24 | C13 | C14 | N6 | 90.0° | 86.8° |
| H24 | C13 | C12 | O14 | 90.0° | 89.5° |
| H24 | C13 | O15 | H25 | 90.0° | 62.7° |
| C14 | N6 | C15 | C17 | 90.0° | 180.0° |
| C14 | N6 | C15 | C16 | 90.0° | 179.7° |
| C14 | N6 | C16 | N7 | 90.0° | 180.0° |
| C14 | N6 | C15 | N9 | 90.0° | 0.0° |
| C14 | N6 | C16 | H28 | 90.0° | 0.0° |
| N6 | C14 | C13 | O15 | 90.0° | 37.4° |
| N7 | C17 | C15 | C18 | 90.0° | 180.0° |
| N7 | C17 | C15 | N6 | 90.0° | 0.1° |
| C17 | N7 | C16 | N6 | 90.0° | 0.2° |
| N7 | C17 | C18 | N8 | 90.0° | 179.9° |
| N7 | C17 | C15 | N9 | 90.0° | 179.8° |
| C17 | N7 | C16 | H28 | 90.0° | 179.8° |
| N7 | C17 | C18 | O16 | 90.0° | 0.0° |
| C17 | C15 | N6 | N9 | 90.0° | 180.0° |
| C17 | C15 | N6 | C16 | 90.0° | 0.3° |
| C15 | C17 | N7 | C16 | 90.0° | 0.0° |
| C15 | C17 | C18 | N8 | 90.0° | 0.0° |
| C17 | C15 | N9 | C19 | 90.0° | 0.3° |
| C15 | C17 | C18 | O16 | 90.0° | 180.0° |
| C15 | N6 | C16 | N7 | 90.0° | 0.3° |
| N6 | C15 | C17 | C18 | 90.0° | 179.8° |
| N6 | C15 | N9 | C19 | 90.0° | 179.7° |
| C15 | N6 | C16 | H28 | 90.0° | 179.8° |
| N6 | C16 | N7 | H28 | 90.0° | 180.0° |
| C16 | N6 | C15 | N9 | 90.0° | 179.7° |
| C16 | N7 | C17 | C18 | 90.0° | 180.0° |
| C17 | C18 | N8 | O16 | 90.0° | 180.0° |
| C17 | C18 | N8 | C19 | 90.0° | 0.1° |
| C18 | C17 | C15 | N9 | 90.0° | 0.2° |
| C17 | C18 | N8 | H21 | 90.0° | 180.0° |
| C18 | N8 | C19 | H21 | 90.0° | 179.9° |
| C18 | N8 | C19 | N9 | 90.0° | 0.0° |
| C18 | N8 | C19 | N11 | 90.0° | 179.9° |
| N8 | C19 | N9 | N11 | 90.0° | 179.9° |
| N8 | C19 | N9 | C15 | 90.0° | 0.3° |
| N8 | C19 | N11 | H26 | 90.0° | 0.1° |
| N8 | C19 | N11 | H27 | 90.0° | 179.9° |
| C19 | N8 | C18 | O16 | 90.0° | 179.9° |
| N9 | C19 | N11 | H26 | 90.0° | 179.8° |
| N9 | C19 | N11 | H27 | 90.0° | 0.1° |
| N9 | C19 | N8 | H21 | 90.0° | 179.9° |
| C15 | N9 | C19 | N11 | 90.0° | 179.8° |
| C19 | N11 | H26 | H27 | 90.0° | 180.0° |
| N11 | C19 | N8 | H21 | 90.0° | 0.0° |
| O14 | C12 | C13 | O15 | 90.0° | 34.6° |
| O14 | C12 | C20 | C21 | 90.0° | 100.9° |
| O16 | C18 | N8 | H21 | 90.0° | 0.0° |
| C20 | C21 | S1 | H29 | 90.0° | 120.0° |
| C20 | C21 | S1 | H30 | 90.0° | 120.1° |
| C20 | C21 | H29 | H30 | 90.0° | 120.0° |
| S1 | C21 | H29 | H30 | 90.0° | 120.0° |
