NWS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.55Å | 1.54Å | |
| C1 | N8 | sing | 1.46Å | 1.45Å | |
| C1 | O4 | sing | 1.44Å | 1.42Å | |
| C2 | N1 | doub | 1.32Å | 1.37Å | |
| C2 | N2 | sing | 1.37Å | 1.46Å | |
| C2 | N3 | sing | 1.36Å | 1.47Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C3 | O1 | sing | 1.43Å | 1.41Å | |
| C4 | C6 | sing | 1.54Å | 1.53Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | C7 | sing | 1.40Å | 1.50Å | |
| C5 | N3 | sing | 1.35Å | 1.43Å | |
| C5 | O3 | doub | 1.22Å | 1.23Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | O4 | sing | 1.44Å | 1.43Å | |
| C7 | C11 | doub | 1.39Å | 1.48Å | |
| C7 | N4 | sing | 1.41Å | 1.45Å | |
| C8 | O5 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | sing | 1.52Å | 1.54Å | |
| C9 | C20 | sing | 1.54Å | 1.49Å | |
| C9 | N4 | sing | 1.47Å | 1.51Å | |
| C10 | N5 | sing | 1.46Å | 1.50Å | |
| C10 | O12 | sing | 1.43Å | 1.43Å | |
| C11 | N1 | sing | 1.34Å | 1.43Å | |
| C11 | N5 | sing | 1.38Å | 1.44Å | |
| C12 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| C12 | N6 | sing | 1.38Å | 1.45Å | |
| C12 | N10 | sing | 1.33Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| C14 | N7 | doub | 1.30Å | 1.38Å | Aromatic |
| C14 | N8 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | N8 | sing | 1.37Å | 1.38Å | Aromatic |
| C15 | N9 | doub | 1.33Å | 1.40Å | Aromatic |
| C16 | N9 | sing | 1.32Å | 1.39Å | Aromatic |
| C16 | N10 | doub | 1.32Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | O11 | sing | 1.43Å | 1.40Å | |
| C18 | C19 | sing | 1.54Å | 1.50Å | |
| C18 | O12 | sing | 1.42Å | 1.44Å | |
| C19 | C20 | doub | 1.31Å | 1.47Å | |
| C19 | S1 | sing | 1.76Å | 1.80Å | |
| C20 | S2 | sing | 1.76Å | 1.79Å | |
| O5 | P1 | sing | 1.61Å | 1.60Å | |
| O6 | P1 | sing | 1.61Å | 1.47Å | |
| O6 | P2 | sing | 1.61Å | 1.61Å | |
| O7 | P1 | doub | 1.48Å | 1.46Å | |
| O8 | P1 | sing | 1.61Å | 1.44Å | |
| O9 | P2 | doub | 1.48Å | 1.47Å | |
| O10 | P2 | sing | 1.61Å | 1.46Å | |
| O11 | P2 | sing | 1.61Å | 1.60Å | |
| O13 | MO1 | sing | 2.00Å | 1.97Å | |
| O14 | MO1 | doub | 1.74Å | 1.97Å | |
| O15 | MO1 | sing | 2.00Å | 1.76Å | |
| S1 | MO1 | sing | 2.40Å | 2.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| O1 | H23 | sing | 0.97Å | 0.95Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| O8 | H25 | sing | 0.97Å | 0.95Å | |
| O10 | H26 | sing | 0.97Å | 0.95Å | |
| MO1 | S2 | sing | 2.40Å | 2.49Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| O13 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | N8 | 111.4° | 110.6° |
| C3 | C1 | O4 | 106.7° | 103.5° |
| C1 | C3 | C4 | 102.0° | 102.1° |
| C1 | C3 | O1 | 113.3° | 110.9° |
| C3 | C1 | H1 | 109.5° | 110.6° |
| C1 | C3 | H2 | 108.8° | 110.9° |
| N8 | C1 | O4 | 107.2° | 110.6° |
| C1 | N8 | C14 | 127.2° | 126.3° |
| C1 | N8 | C15 | 124.7° | 126.3° |
| N8 | C1 | H1 | 110.7° | 110.6° |
| C1 | O4 | C6 | 110.1° | 107.0° |
| O4 | C1 | H1 | 111.2° | 110.8° |
| N1 | C2 | N2 | 119.2° | 119.3° |
| N1 | C2 | N3 | 121.1° | 121.3° |
| C2 | N1 | C11 | 121.0° | 121.2° |
| N2 | C2 | N3 | 119.7° | 119.4° |
| C2 | N2 | H16 | 120.0° | 120.0° |
| C2 | N2 | H17 | 120.0° | 120.0° |
| C2 | N3 | C5 | 121.1° | 120.2° |
| C2 | N3 | H18 | 119.4° | 119.7° |
| C4 | C3 | O1 | 112.9° | 110.9° |
| C3 | C4 | C6 | 102.8° | 104.2° |
| C3 | C4 | O2 | 112.4° | 110.5° |
| C4 | C3 | H2 | 108.9° | 110.9° |
| C3 | C4 | H3 | 110.1° | 110.5° |
| O1 | C3 | H2 | 110.5° | 110.8° |
| C3 | O1 | H23 | 109.5° | 114.0° |
| C6 | C4 | O2 | 109.1° | 110.5° |
| C4 | C6 | C8 | 113.0° | 109.9° |
| C4 | C6 | O4 | 107.5° | 107.3° |
| C6 | C4 | H3 | 110.1° | 110.5° |
| C4 | C6 | H4 | 108.4° | 109.9° |
| O2 | C4 | H3 | 111.9° | 110.5° |
| C4 | O2 | H24 | 109.5° | 114.0° |
| C7 | C5 | N3 | 118.2° | 118.8° |
| C7 | C5 | O3 | 122.5° | 120.6° |
| C5 | C7 | C11 | 118.3° | 118.9° |
| C5 | C7 | N4 | 121.4° | 121.0° |
| N3 | C5 | O3 | 119.3° | 120.6° |
| C5 | N3 | H18 | 119.5° | 120.1° |
| C8 | C6 | O4 | 109.5° | 109.9° |
| C6 | C8 | O5 | 107.8° | 109.5° |
| C8 | C6 | H4 | 108.5° | 109.8° |
| C6 | C8 | H6 | 109.9° | 109.5° |
| C6 | C8 | H5 | 109.9° | 109.5° |
| O4 | C6 | H4 | 109.8° | 110.0° |
| C11 | C7 | N4 | 120.2° | 120.2° |
| C7 | C11 | N1 | 120.3° | 119.6° |
| C7 | C11 | N5 | 123.4° | 119.9° |
| C7 | N4 | C9 | 109.4° | 119.5° |
| C7 | N4 | H19 | 109.5° | 120.1° |
| C8 | O5 | P1 | 118.2° | 123.0° |
| O5 | C8 | H6 | 109.9° | 109.5° |
| O5 | C8 | H5 | 109.9° | 109.5° |
| C10 | C9 | C20 | 110.8° | 109.4° |
| C10 | C9 | N4 | 112.5° | 109.5° |
| C9 | C10 | N5 | 113.0° | 110.0° |
| C9 | C10 | O12 | 113.4° | 108.1° |
| C10 | C9 | H7 | 109.1° | 110.3° |
| C9 | C10 | H8 | 106.1° | 109.8° |
| C20 | C9 | N4 | 105.3° | 107.4° |
| C9 | C20 | C19 | 119.6° | 121.7° |
| C9 | C20 | S2 | 116.3° | 118.7° |
| C20 | C9 | H7 | 109.7° | 110.0° |
| N4 | C9 | H7 | 109.3° | 110.2° |
| C9 | N4 | H19 | 109.5° | 120.4° |
| N5 | C10 | O12 | 109.9° | 109.7° |
| C10 | N5 | C11 | 114.9° | 119.8° |
| N5 | C10 | H8 | 106.6° | 109.7° |
| C10 | N5 | H20 | 108.1° | 120.1° |
| C10 | O12 | C18 | 111.3° | 112.7° |
| O12 | C10 | H8 | 107.4° | 109.5° |
| N1 | C11 | N5 | 116.2° | 120.5° |
| C11 | N5 | H20 | 108.1° | 120.1° |
| C13 | C12 | N6 | 119.5° | 120.8° |
| C13 | C12 | N10 | 120.0° | 118.4° |
| C12 | C13 | C15 | 119.8° | 118.2° |
| C12 | C13 | N7 | 131.9° | 134.7° |
| N6 | C12 | N10 | 120.5° | 120.8° |
| C12 | N6 | H21 | 109.5° | 120.0° |
| C12 | N6 | H22 | 109.5° | 119.9° |
| C12 | N10 | C16 | 119.8° | 121.2° |
| C15 | C13 | N7 | 108.2° | 107.1° |
| C13 | C15 | N8 | 107.4° | 106.0° |
| C13 | C15 | N9 | 120.3° | 119.1° |
| C13 | N7 | C14 | 107.3° | 109.5° |
| N7 | C14 | N8 | 108.8° | 110.0° |
| N7 | C14 | H9 | 125.6° | 125.1° |
| C14 | N8 | C15 | 107.9° | 107.4° |
| N8 | C14 | H9 | 125.6° | 125.0° |
| N8 | C15 | N9 | 132.3° | 134.9° |
| C15 | N9 | C16 | 118.9° | 120.6° |
| N9 | C16 | N10 | 121.2° | 122.5° |
| N9 | C16 | H10 | 119.4° | 118.7° |
| N10 | C16 | H10 | 119.4° | 118.8° |
| C18 | C17 | O11 | 110.4° | 109.5° |
| C17 | C18 | C19 | 106.6° | 109.4° |
| C17 | C18 | O12 | 111.1° | 109.4° |
| C18 | C17 | H11 | 109.2° | 109.5° |
| C18 | C17 | H12 | 109.2° | 109.5° |
| C17 | C18 | H13 | 107.8° | 109.4° |
| C17 | O11 | P2 | 118.4° | 123.0° |
| O11 | C17 | H11 | 109.2° | 109.5° |
| O11 | C17 | H12 | 109.3° | 109.4° |
| C19 | C18 | O12 | 113.7° | 110.0° |
| C18 | C19 | C20 | 119.0° | 122.0° |
| C18 | C19 | S1 | 116.5° | 118.6° |
| C19 | C18 | H13 | 108.3° | 109.3° |
| O12 | C18 | H13 | 109.1° | 109.4° |
| C20 | C19 | S1 | 119.9° | 119.4° |
| C19 | C20 | S2 | 121.7° | 119.5° |
| C19 | S1 | MO1 | 103.3° | 103.5° |
| C20 | S2 | MO1 | 100.0° | 103.5° |
| O5 | P1 | O6 | 110.2° | 109.5° |
| O5 | P1 | O7 | 112.5° | 109.4° |
| O5 | P1 | O8 | 103.1° | 109.5° |
| P1 | O6 | P2 | 133.1° | 134.0° |
| O6 | P1 | O7 | 104.8° | 109.4° |
| O6 | P1 | O8 | 116.4° | 109.5° |
| O6 | P2 | O9 | 110.7° | 109.5° |
| O6 | P2 | O10 | 108.4° | 109.5° |
| O6 | P2 | O11 | 109.4° | 109.5° |
| O7 | P1 | O8 | 110.1° | 109.5° |
| P1 | O8 | H25 | 109.5° | 114.0° |
| O9 | P2 | O10 | 109.5° | 109.5° |
| O9 | P2 | O11 | 110.9° | 109.5° |
| O10 | P2 | O11 | 107.8° | 109.5° |
| P2 | O10 | H26 | 109.5° | 114.0° |
| O13 | MO1 | O14 | 75.5° | 92.9° |
| O13 | MO1 | O15 | 122.3° | 120.0° |
| O13 | MO1 | S1 | 127.5° | 119.7° |
| O13 | MO1 | S2 | 84.6° | 91.7° |
| MO1 | O13 | H14 | 109.5° | 114.0° |
| O14 | MO1 | O15 | 110.3° | 92.9° |
| O14 | MO1 | S1 | 79.5° | 92.1° |
| O14 | MO1 | S2 | 140.9° | 170.9° |
| O15 | MO1 | S1 | 109.5° | 119.7° |
| O15 | MO1 | S2 | 108.8° | 91.6° |
| MO1 | O15 | H15 | 109.5° | 114.0° |
| S1 | MO1 | S2 | 87.0° | 78.7° |
| H6 | C8 | H5 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H16 | N2 | H17 | 120.0° | 120.0° |
| H21 | N6 | H22 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | N8 | O4 | 116.4° | 114.0° |
| C3 | C1 | N8 | H1 | 122.2° | 122.9° |
| C3 | C1 | O4 | H1 | 119.4° | 118.5° |
| C1 | C3 | C4 | O1 | 121.9° | 118.2° |
| C1 | C3 | C4 | H2 | 114.9° | 118.2° |
| C1 | C3 | O1 | H2 | 122.5° | 123.7° |
| C1 | C3 | C4 | C6 | 31.5° | 20.9° |
| C1 | C3 | C4 | O2 | 85.7° | 97.8° |
| C3 | C1 | O4 | C6 | 17.5° | 40.1° |
| C3 | C1 | N8 | C14 | 51.8° | 95.0° |
| C3 | C1 | N8 | C15 | 133.4° | 85.0° |
| C1 | C3 | C4 | H3 | 148.8° | 139.6° |
| C1 | C3 | O1 | H23 | 180.0° | 180.0° |
| N8 | C1 | O4 | H1 | 121.2° | 123.0° |
| N8 | C1 | C3 | C4 | 147.5° | 155.5° |
| N8 | C1 | C3 | O1 | 90.8° | 86.3° |
| N8 | C1 | O4 | C6 | 136.9° | 158.5° |
| C1 | N8 | C15 | C13 | 178.7° | 179.9° |
| C1 | N8 | C14 | N7 | 179.0° | 179.9° |
| C1 | N8 | C14 | C15 | 175.5° | 179.9° |
| C1 | N8 | C15 | N9 | 0.4° | 0.0° |
| N8 | C1 | C3 | H2 | 32.6° | 37.3° |
| C1 | N8 | C14 | H9 | 1.0° | 0.1° |
| O4 | C1 | C3 | C4 | 30.9° | 37.0° |
| O4 | C1 | C3 | O1 | 152.5° | 155.2° |
| C1 | O4 | C6 | C4 | 3.5° | 26.5° |
| C1 | O4 | C6 | C8 | 119.7° | 145.9° |
| O4 | C1 | N8 | C14 | 64.6° | 19.1° |
| O4 | C1 | N8 | C15 | 110.3° | 161.0° |
| O4 | C1 | C3 | H2 | 84.1° | 81.2° |
| C1 | O4 | C6 | H4 | 121.3° | 93.0° |
| N1 | C2 | N2 | N3 | 176.3° | 179.9° |
| N1 | C2 | N3 | C5 | 0.7° | 1.7° |
| C2 | N1 | C11 | C7 | 4.0° | 2.9° |
| C2 | N1 | C11 | N5 | 180.0° | 174.5° |
| N1 | C2 | N2 | H16 | 0.0° | 0.1° |
| N1 | C2 | N2 | H17 | 180.0° | 180.0° |
| N1 | C2 | N3 | H18 | 179.4° | 178.3° |
| N2 | C2 | N3 | C5 | 175.6° | 178.2° |
| N2 | C2 | N1 | C11 | 178.6° | 179.6° |
| C2 | N2 | H16 | H17 | 180.0° | 180.0° |
| N2 | C2 | N3 | H18 | 4.4° | 1.8° |
| C2 | N3 | C5 | C7 | 1.8° | 1.4° |
| C2 | N3 | C5 | H18 | 180.0° | 180.0° |
| C2 | N3 | C5 | O3 | 179.0° | 178.6° |
| N3 | C2 | N1 | C11 | 2.3° | 0.5° |
| N3 | C2 | N2 | H16 | 176.4° | 179.8° |
| N3 | C2 | N2 | H17 | 3.7° | 0.1° |
| C4 | C3 | O1 | H2 | 122.2° | 123.6° |
| C3 | C4 | C6 | O2 | 119.5° | 118.7° |
| C3 | C4 | C6 | H3 | 117.3° | 118.7° |
| C3 | C4 | O2 | H3 | 124.5° | 122.7° |
| C3 | C4 | C6 | C8 | 98.3° | 121.5° |
| C3 | C4 | C6 | O4 | 22.7° | 2.0° |
| C4 | C3 | C1 | H1 | 89.6° | 81.6° |
| C3 | C4 | C6 | H4 | 141.4° | 117.5° |
| C4 | C3 | O1 | H23 | 64.7° | 67.2° |
| C3 | C4 | O2 | H24 | 180.0° | 61.5° |
| O1 | C3 | C4 | C6 | 153.5° | 139.1° |
| O1 | C3 | C4 | O2 | 36.2° | 20.5° |
| O1 | C3 | C1 | H1 | 32.1° | 36.6° |
| O1 | C3 | C4 | H3 | 89.2° | 102.2° |
| C6 | C4 | O2 | H3 | 122.1° | 122.6° |
| C4 | C6 | C8 | O4 | 119.9° | 117.8° |
| C4 | C6 | C8 | H4 | 120.3° | 121.0° |
| C4 | C6 | O4 | H4 | 117.8° | 119.5° |
| C4 | C6 | C8 | O5 | 56.8° | 175.0° |
| C6 | C4 | C3 | H2 | 83.4° | 97.3° |
| C4 | C6 | C8 | H6 | 176.6° | 55.0° |
| C4 | C6 | C8 | H5 | 62.9° | 65.0° |
| C6 | C4 | O2 | H24 | 66.6° | 176.3° |
| O2 | C4 | C6 | C8 | 142.2° | 119.8° |
| O2 | C4 | C6 | O4 | 96.8° | 120.7° |
| O2 | C4 | C3 | H2 | 159.4° | 144.0° |
| O2 | C4 | C6 | H4 | 21.8° | 1.1° |
| C7 | C5 | N3 | O3 | 177.2° | 180.0° |
| C5 | C7 | C11 | N4 | 176.6° | 179.2° |
| C5 | C7 | N4 | C9 | 151.0° | 170.6° |
| C5 | C7 | C11 | N1 | 2.7° | 3.2° |
| C5 | C7 | C11 | N5 | 178.4° | 174.2° |
| C7 | C5 | N3 | H18 | 178.2° | 178.6° |
| C5 | C7 | N4 | H19 | 31.1° | 9.6° |
| N3 | C5 | C7 | C11 | 0.1° | 1.0° |
| N3 | C5 | C7 | N4 | 176.4° | 178.2° |
| O3 | C5 | C7 | C11 | 177.2° | 178.9° |
| O3 | C5 | C7 | N4 | 0.6° | 1.8° |
| O3 | C5 | N3 | H18 | 1.0° | 1.4° |
| C8 | C6 | O4 | H4 | 119.1° | 121.1° |
| C6 | C8 | O5 | H6 | 119.8° | 120.0° |
| C6 | C8 | O5 | H5 | 119.7° | 120.0° |
| C6 | C8 | O5 | P1 | 173.0° | 180.0° |
| C8 | C6 | C4 | H3 | 19.0° | 2.8° |
| C6 | C8 | H6 | H5 | 120.7° | 120.0° |
| O4 | C6 | C8 | O5 | 63.1° | 67.2° |
| C6 | O4 | C1 | H1 | 101.9° | 78.5° |
| O4 | C6 | C4 | H3 | 140.0° | 116.7° |
| O4 | C6 | C8 | H6 | 56.7° | 172.8° |
| O4 | C6 | C8 | H5 | 177.2° | 52.9° |
| C11 | C7 | N4 | C9 | 25.4° | 8.6° |
| C7 | C11 | N5 | C10 | 5.4° | 11.6° |
| C7 | C11 | N1 | N5 | 176.0° | 177.4° |
| C11 | C7 | N4 | H19 | 145.4° | 171.2° |
| C7 | C11 | N5 | H20 | 126.2° | 168.4° |
| C7 | N4 | C9 | C10 | 55.5° | 37.9° |
| C7 | N4 | C9 | C20 | 176.2° | 156.6° |
| C7 | N4 | C9 | H19 | 120.0° | 179.8° |
| N4 | C7 | C11 | N1 | 179.3° | 176.0° |
| N4 | C7 | C11 | N5 | 5.0° | 6.5° |
| C7 | N4 | C9 | H7 | 65.9° | 83.6° |
| C8 | O5 | P1 | O6 | 57.8° | 175.0° |
| C8 | O5 | P1 | O7 | 174.4° | 55.0° |
| C8 | O5 | P1 | O8 | 67.1° | 65.0° |
| O5 | C8 | C6 | H4 | 177.1° | 54.0° |
| O5 | C8 | H6 | H5 | 120.8° | 120.0° |
| C10 | C9 | C20 | N4 | 121.9° | 118.8° |
| C10 | C9 | C20 | H7 | 120.5° | 121.2° |
| C10 | C9 | N4 | H7 | 121.4° | 121.5° |
| C9 | C10 | N5 | O12 | 127.7° | 118.8° |
| C9 | C10 | N5 | H8 | 116.2° | 120.9° |
| C9 | C10 | O12 | H8 | 116.9° | 119.7° |
| C9 | C10 | N5 | C11 | 24.5° | 41.2° |
| C9 | C10 | O12 | C18 | 64.6° | 71.0° |
| C10 | C9 | C20 | C19 | 22.9° | 17.1° |
| C10 | C9 | C20 | S2 | 174.8° | 162.7° |
| C10 | C9 | N4 | H19 | 175.5° | 141.9° |
| C9 | C10 | N5 | H20 | 96.2° | 138.8° |
| C20 | C9 | N4 | H7 | 117.8° | 119.8° |
| C20 | C9 | C10 | N5 | 174.3° | 169.3° |
| C20 | C9 | C10 | O12 | 48.4° | 49.6° |
| C9 | C20 | C19 | C18 | 13.6° | 0.2° |
| C9 | C20 | C19 | S2 | 161.4° | 179.8° |
| C9 | C20 | C19 | S1 | 168.7° | 179.8° |
| C20 | C9 | C10 | H8 | 69.2° | 69.9° |
| C20 | C9 | N4 | H19 | 63.7° | 23.2° |
| C9 | C20 | S2 | MO1 | 166.1° | 152.3° |
| N4 | C9 | C10 | N5 | 56.7° | 51.9° |
| N4 | C9 | C10 | O12 | 69.2° | 67.9° |
| N4 | C9 | C20 | C19 | 99.1° | 101.7° |
| N4 | C9 | C20 | S2 | 63.3° | 78.6° |
| N4 | C9 | C10 | H8 | 173.2° | 172.6° |
| N5 | C10 | O12 | H8 | 115.6° | 120.4° |
| C10 | N5 | C11 | N1 | 178.8° | 165.8° |
| C10 | N5 | C11 | H20 | 120.8° | 180.0° |
| N5 | C10 | O12 | C18 | 167.9° | 169.1° |
| N5 | C10 | C9 | H7 | 64.8° | 69.6° |
| O12 | C10 | N5 | C11 | 103.2° | 77.6° |
| C10 | O12 | C18 | C17 | 172.1° | 171.9° |
| C10 | O12 | C18 | C19 | 51.8° | 51.7° |
| O12 | C10 | C9 | H7 | 169.3° | 170.6° |
| C10 | O12 | C18 | H13 | 69.2° | 68.4° |
| O12 | C10 | N5 | H20 | 136.0° | 102.4° |
| N1 | C11 | N5 | H20 | 58.0° | 14.2° |
| C11 | N5 | C10 | H8 | 140.7° | 162.1° |
| C13 | C12 | N6 | N10 | 177.6° | 179.7° |
| C12 | C13 | C15 | N7 | 177.4° | 179.9° |
| C12 | C13 | N7 | C14 | 179.3° | 179.9° |
| C12 | C13 | C15 | N8 | 177.8° | 179.9° |
| C12 | C13 | C15 | N9 | 2.9° | 0.1° |
| C13 | C12 | N10 | C16 | 2.7° | 0.6° |
| C13 | C12 | N6 | H21 | 177.6° | 0.0° |
| C13 | C12 | N6 | H22 | 57.6° | 180.0° |
| N6 | C12 | C13 | C15 | 179.5° | 180.0° |
| N6 | C12 | C13 | N7 | 2.9° | 0.1° |
| N6 | C12 | N10 | C16 | 179.7° | 179.8° |
| C12 | N6 | H21 | H22 | 120.0° | 180.0° |
| N10 | C12 | C13 | C15 | 2.9° | 0.3° |
| N10 | C12 | C13 | N7 | 179.5° | 179.8° |
| C12 | N10 | C16 | N9 | 2.6° | 0.5° |
| C12 | N10 | C16 | H10 | 177.4° | 179.7° |
| N10 | C12 | N6 | H21 | 0.0° | 179.7° |
| N10 | C12 | N6 | H22 | 120.0° | 0.3° |
| C15 | C13 | N7 | C14 | 3.8° | 0.0° |
| C13 | C15 | N8 | C14 | 3.1° | 0.0° |
| C13 | C15 | N8 | N9 | 179.2° | 180.0° |
| C13 | C15 | N9 | C16 | 2.7° | 0.1° |
| C13 | N7 | C14 | N8 | 5.7° | 0.0° |
| N7 | C13 | C15 | N8 | 0.4° | 0.0° |
| N7 | C13 | C15 | N9 | 179.7° | 180.0° |
| C13 | N7 | C14 | H9 | 174.3° | 180.0° |
| N7 | C14 | N8 | H9 | 180.0° | 180.0° |
| N7 | C14 | N8 | C15 | 5.5° | 0.0° |
| C14 | N8 | C15 | N9 | 176.1° | 180.0° |
| C14 | N8 | C1 | H1 | 174.0° | 142.2° |
| N8 | C15 | N9 | C16 | 178.2° | 180.0° |
| C15 | N8 | C1 | H1 | 11.2° | 37.9° |
| C15 | N8 | C14 | H9 | 174.5° | 180.0° |
| C15 | N9 | C16 | N10 | 2.6° | 0.3° |
| C15 | N9 | C16 | H10 | 177.5° | 180.0° |
| N9 | C16 | N10 | H10 | 180.0° | 179.8° |
| C18 | C17 | O11 | H11 | 120.1° | 120.0° |
| C18 | C17 | O11 | H12 | 120.2° | 120.0° |
| C17 | C18 | C19 | O12 | 122.8° | 120.2° |
| C17 | C18 | C19 | H13 | 115.8° | 119.7° |
| C17 | C18 | O12 | H13 | 118.7° | 119.8° |
| C17 | C18 | C19 | C20 | 149.6° | 135.9° |
| C17 | C18 | C19 | S1 | 54.4° | 44.1° |
| C18 | C17 | O11 | P2 | 162.9° | 180.0° |
| C18 | C17 | H11 | H12 | 119.5° | 120.0° |
| O11 | C17 | C18 | C19 | 158.7° | 175.1° |
| O11 | C17 | C18 | O12 | 34.4° | 64.4° |
| C17 | O11 | P2 | O6 | 95.9° | 175.0° |
| C17 | O11 | P2 | O9 | 141.8° | 55.0° |
| C17 | O11 | P2 | O10 | 21.9° | 65.0° |
| O11 | C17 | H11 | H12 | 119.6° | 119.9° |
| O11 | C17 | C18 | H13 | 85.2° | 55.4° |
| C19 | C18 | O12 | H13 | 121.0° | 120.0° |
| C18 | C19 | C20 | S1 | 155.1° | 180.0° |
| C18 | C19 | C20 | S2 | 174.9° | 179.6° |
| C18 | C19 | S1 | MO1 | 164.5° | 151.9° |
| C19 | C18 | C17 | H11 | 81.1° | 55.0° |
| C19 | C18 | C17 | H12 | 38.6° | 65.0° |
| O12 | C18 | C19 | C20 | 26.8° | 15.7° |
| O12 | C18 | C19 | S1 | 177.2° | 164.3° |
| C18 | O12 | C10 | H8 | 52.3° | 48.7° |
| O12 | C18 | C17 | H11 | 154.5° | 175.5° |
| O12 | C18 | C17 | H12 | 85.8° | 55.6° |
| C20 | C19 | S1 | MO1 | 8.7° | 28.1° |
| C19 | C20 | C9 | H7 | 143.3° | 138.4° |
| C20 | C19 | C18 | H13 | 94.6° | 104.3° |
| C19 | C20 | S2 | MO1 | 31.9° | 27.5° |
| S1 | C19 | C20 | S2 | 29.9° | 0.4° |
| C19 | S1 | MO1 | O13 | 88.5° | 117.1° |
| C19 | S1 | MO1 | O14 | 150.8° | 148.3° |
| C19 | S1 | MO1 | O15 | 101.2° | 53.7° |
| S1 | C19 | C18 | H13 | 61.3° | 75.7° |
| C19 | S1 | MO1 | S2 | 7.7° | 31.7° |
| C20 | S2 | MO1 | O13 | 146.7° | 151.6° |
| C20 | S2 | MO1 | O14 | 87.8° | 31.5° |
| C20 | S2 | MO1 | O15 | 91.0° | 88.4° |
| C20 | S2 | MO1 | S1 | 18.6° | 31.6° |
| S2 | C20 | C9 | H7 | 54.3° | 41.4° |
| O5 | P1 | O6 | O7 | 121.3° | 120.0° |
| O5 | P1 | O6 | O8 | 116.9° | 120.1° |
| O5 | P1 | O6 | P2 | 132.8° | 160.0° |
| O5 | P1 | O7 | O8 | 114.4° | 120.0° |
| P1 | O5 | C8 | H6 | 67.3° | 60.0° |
| P1 | O5 | C8 | H5 | 53.3° | 60.0° |
| O5 | P1 | O8 | H25 | 120.2° | 60.0° |
| O6 | P1 | O7 | O8 | 125.9° | 120.0° |
| P1 | O6 | P2 | O9 | 56.3° | 40.0° |
| P1 | O6 | P2 | O10 | 176.4° | 80.0° |
| P1 | O6 | P2 | O11 | 66.2° | 160.0° |
| O6 | P1 | O8 | H25 | 119.0° | 60.1° |
| P2 | O6 | P1 | O7 | 105.9° | 40.0° |
| P2 | O6 | P1 | O8 | 16.0° | 79.9° |
| O6 | P2 | O9 | O10 | 119.5° | 120.0° |
| O6 | P2 | O9 | O11 | 121.6° | 120.0° |
| O6 | P2 | O10 | O11 | 118.4° | 120.0° |
| O6 | P2 | O10 | H26 | 120.8° | 60.0° |
| O7 | P1 | O8 | H25 | 0.0° | 180.0° |
| O9 | P2 | O10 | O11 | 120.8° | 120.0° |
| O9 | P2 | O10 | H26 | 0.0° | 180.0° |
| P2 | O11 | C17 | H11 | 42.8° | 59.9° |
| P2 | O11 | C17 | H12 | 76.9° | 60.0° |
| O11 | P2 | O10 | H26 | 120.8° | 60.0° |
| O13 | MO1 | O14 | O15 | 119.5° | 120.2° |
| O13 | MO1 | O14 | S1 | 133.4° | 119.9° |
| O13 | MO1 | O14 | S2 | 61.7° | 119.9° |
| O13 | MO1 | O15 | S1 | 171.0° | 170.8° |
| O13 | MO1 | O15 | S2 | 95.5° | 92.9° |
| O13 | MO1 | S1 | S2 | 80.8° | 85.4° |
| O13 | MO1 | O15 | H15 | 180.0° | 90.0° |
| O14 | MO1 | O15 | S1 | 85.7° | 94.1° |
| O14 | MO1 | O15 | S2 | 179.2° | 172.1° |
| O14 | MO1 | S1 | S2 | 143.2° | 180.0° |
| O14 | MO1 | O15 | H15 | 94.7° | 5.0° |
| O14 | MO1 | O13 | H14 | 0.0° | 0.0° |
| O15 | MO1 | S1 | S2 | 108.8° | 85.4° |
| O15 | MO1 | O13 | H14 | 105.1° | 95.1° |
| S1 | MO1 | O15 | H15 | 9.0° | 99.2° |
| S1 | MO1 | O13 | H14 | 64.2° | 94.1° |
| H1 | C1 | C3 | H2 | 155.5° | 160.2° |
| H2 | C3 | C4 | H3 | 33.9° | 21.3° |
| H2 | C3 | O1 | H23 | 57.6° | 56.4° |
| H3 | C4 | C6 | H4 | 101.3° | 123.8° |
| H3 | C4 | O2 | H24 | 55.5° | 61.1° |
| H4 | C6 | C8 | H6 | 63.1° | 66.0° |
| H4 | C6 | C8 | H5 | 57.4° | 174.0° |
| H7 | C9 | C10 | H8 | 51.6° | 51.2° |
| H7 | C9 | N4 | H19 | 54.1° | 96.6° |
| H8 | C10 | N5 | H20 | 19.9° | 17.9° |
| H11 | C17 | C18 | H13 | 35.0° | 64.7° |
| H12 | C17 | C18 | H13 | 154.7° | 175.3° |
| S2 | MO1 | O15 | H15 | 84.5° | 177.1° |
| S2 | MO1 | O13 | H14 | 146.1° | 172.1° |
