A1JBX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | N8 | sing | 1.47Å | 1.31Å | |
| N9 | N10 | sing | 1.46Å | 1.34Å | |
| C19 | O3 | sing | 1.43Å | 1.42Å | |
| N8 | N7 | sing | 1.47Å | 1.34Å | |
| N10 | C21 | sing | 1.48Å | 1.33Å | |
| O3 | C16 | sing | 1.36Å | 1.37Å | |
| N7 | C21 | sing | 1.49Å | 1.33Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | N6 | sing | 1.46Å | 1.48Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.42Å | |
| C13 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | S1 | sing | 1.76Å | 1.75Å | |
| N6 | C7 | sing | 1.40Å | 1.44Å | |
| N6 | S2 | sing | 1.66Å | 1.65Å | |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.36Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| S1 | O2 | doub | 1.42Å | 1.42Å | |
| S1 | N1 | sing | 1.66Å | 1.65Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| O5 | S2 | doub | 1.42Å | 1.42Å | |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.43Å | Aromatic |
| C6 | C1 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.44Å | |
| O6 | C25 | sing | 1.36Å | 1.37Å | |
| O6 | C28 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | S2 | sing | 1.76Å | 1.75Å | |
| C22 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| S2 | O4 | doub | 1.42Å | 1.42Å | |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| N1 | C11 | sing | 1.46Å | 1.48Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| N5 | C12 | sing | 1.49Å | 1.33Å | |
| N5 | N4 | sing | 1.47Å | 1.34Å | |
| C12 | N2 | sing | 1.48Å | 1.33Å | |
| N4 | N3 | sing | 1.46Å | 1.31Å | |
| N2 | N3 | sing | 1.46Å | 1.34Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| N10 | H27 | sing | 1.01Å | 1.00Å | |
| N2 | H28 | sing | 1.01Å | 1.00Å | |
| N3 | H29 | sing | 1.01Å | 1.00Å | |
| N4 | H30 | sing | 1.01Å | 1.00Å | |
| N5 | H31 | sing | 1.01Å | 1.00Å | |
| N7 | H32 | sing | 1.01Å | 1.00Å | |
| N8 | H33 | sing | 1.01Å | 1.00Å | |
| N9 | H34 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | N9 | N10 | 109.1° | 107.0° |
| N9 | N8 | N7 | 109.3° | 104.6° |
| N9 | N8 | H33 | 109.5° | 111.1° |
| N8 | N9 | H34 | 109.6° | 111.0° |
| N9 | N10 | C21 | 104.4° | 106.5° |
| N9 | N10 | H27 | 110.7° | 111.0° |
| N10 | N9 | H34 | 109.5° | 111.1° |
| C19 | O3 | C16 | 117.2° | 117.0° |
| O3 | C19 | H9 | 109.5° | 109.4° |
| O3 | C19 | H10 | 109.5° | 109.5° |
| O3 | C19 | H11 | 109.5° | 109.5° |
| N8 | N7 | C21 | 104.1° | 102.8° |
| N8 | N7 | H32 | 110.8° | 111.0° |
| N7 | N8 | H33 | 109.5° | 111.0° |
| N10 | C21 | N7 | 111.4° | 104.0° |
| N10 | C21 | C20 | 124.3° | 110.5° |
| N10 | C21 | H15 | 90.5° | 110.6° |
| C21 | N10 | H27 | 110.7° | 111.0° |
| O3 | C16 | C15 | 118.8° | 120.0° |
| O3 | C16 | C17 | 120.9° | 120.1° |
| N7 | C21 | C20 | 124.3° | 110.5° |
| N7 | C21 | H15 | 90.5° | 110.5° |
| C21 | N7 | H32 | 110.8° | 111.0° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.2° | 119.9° |
| C16 | C15 | H6 | 120.0° | 120.1° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H5 | 120.1° | 120.0° |
| C14 | C15 | H6 | 120.1° | 119.9° |
| C21 | C20 | N6 | 116.6° | 109.5° |
| C21 | C20 | H13 | 107.6° | 109.5° |
| C21 | C20 | H14 | 107.6° | 109.5° |
| C20 | C21 | H15 | 90.4° | 110.5° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H7 | 120.1° | 120.0° |
| C14 | C13 | C18 | 120.3° | 120.1° |
| C14 | C13 | S1 | 119.2° | 120.0° |
| C13 | C14 | H5 | 120.1° | 120.0° |
| C20 | N6 | C7 | 122.0° | 120.0° |
| C20 | N6 | S2 | 116.6° | 120.0° |
| N6 | C20 | H13 | 107.7° | 109.5° |
| N6 | C20 | H14 | 107.7° | 109.5° |
| C17 | C18 | C13 | 119.8° | 120.0° |
| C18 | C17 | H7 | 120.1° | 120.0° |
| C17 | C18 | H8 | 120.1° | 120.0° |
| O1 | S1 | C13 | 106.7° | 106.4° |
| O1 | S1 | O2 | 119.6° | 123.2° |
| O1 | S1 | N1 | 106.5° | 106.4° |
| C18 | C13 | S1 | 120.4° | 119.9° |
| C13 | C18 | H8 | 120.1° | 120.0° |
| C13 | S1 | O2 | 108.1° | 106.4° |
| C13 | S1 | N1 | 108.8° | 107.2° |
| C7 | N6 | S2 | 121.2° | 120.0° |
| N6 | C7 | C8 | 122.5° | 120.2° |
| N6 | C7 | C5 | 117.8° | 120.2° |
| N6 | S2 | O5 | 106.3° | 106.4° |
| N6 | S2 | C22 | 108.5° | 107.2° |
| N6 | S2 | O4 | 107.9° | 106.4° |
| C7 | C8 | C9 | 121.6° | 120.8° |
| C8 | C7 | C5 | 119.8° | 119.7° |
| C7 | C8 | H25 | 119.2° | 119.6° |
| C8 | C9 | C10 | 121.6° | 120.8° |
| C9 | C8 | H25 | 119.2° | 119.6° |
| C8 | C9 | H26 | 119.2° | 119.6° |
| C23 | C24 | C25 | 119.9° | 119.9° |
| C24 | C23 | C22 | 119.8° | 120.1° |
| C24 | C23 | H16 | 120.1° | 120.0° |
| C23 | C24 | H17 | 120.0° | 120.1° |
| C24 | C25 | O6 | 119.8° | 120.0° |
| C24 | C25 | C26 | 120.3° | 119.9° |
| C25 | C24 | H17 | 120.1° | 120.0° |
| O2 | S1 | N1 | 106.9° | 106.4° |
| S1 | N1 | C10 | 122.0° | 120.0° |
| S1 | N1 | C11 | 118.8° | 120.0° |
| C23 | C22 | S2 | 119.9° | 120.0° |
| C23 | C22 | C27 | 120.5° | 120.1° |
| C22 | C23 | H16 | 120.1° | 120.0° |
| C7 | C5 | C6 | 122.3° | 121.2° |
| C7 | C5 | C4 | 118.7° | 119.5° |
| C9 | C10 | C4 | 119.7° | 119.7° |
| C9 | C10 | N1 | 121.9° | 120.1° |
| C10 | C9 | H26 | 119.2° | 119.6° |
| O5 | S2 | C22 | 108.0° | 106.4° |
| O5 | S2 | O4 | 118.6° | 123.1° |
| C6 | C5 | C4 | 119.0° | 119.3° |
| C5 | C6 | C1 | 120.6° | 119.7° |
| C5 | C6 | H24 | 119.7° | 120.2° |
| C5 | C4 | C10 | 118.7° | 119.4° |
| C5 | C4 | C3 | 118.5° | 119.4° |
| C6 | C1 | C2 | 120.4° | 120.9° |
| C6 | C1 | H1 | 119.8° | 119.5° |
| C1 | C6 | H24 | 119.7° | 120.2° |
| C4 | C10 | N1 | 118.4° | 120.1° |
| C10 | C4 | C3 | 122.8° | 121.2° |
| C10 | N1 | C11 | 119.1° | 120.0° |
| C25 | O6 | C28 | 117.3° | 117.0° |
| O6 | C25 | C26 | 119.9° | 120.1° |
| O6 | C28 | H20 | 109.5° | 109.5° |
| O6 | C28 | H21 | 109.5° | 109.5° |
| O6 | C28 | H22 | 109.5° | 109.4° |
| C25 | C26 | C27 | 119.8° | 119.9° |
| C25 | C26 | H18 | 120.1° | 120.0° |
| S2 | C22 | C27 | 119.6° | 119.9° |
| C22 | S2 | O4 | 107.3° | 106.4° |
| C22 | C27 | C26 | 119.8° | 120.0° |
| C22 | C27 | H19 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.8° | 119.7° |
| C4 | C3 | H23 | 119.6° | 120.2° |
| N1 | C11 | C12 | 115.7° | 109.5° |
| N1 | C11 | H2 | 107.9° | 109.5° |
| N1 | C11 | H3 | 107.9° | 109.5° |
| C1 | C2 | C3 | 120.6° | 120.9° |
| C2 | C1 | H1 | 119.8° | 119.5° |
| C1 | C2 | H12 | 119.7° | 119.5° |
| C3 | C2 | H12 | 119.7° | 119.5° |
| C2 | C3 | H23 | 119.6° | 120.1° |
| C27 | C26 | H18 | 120.1° | 120.0° |
| C26 | C27 | H19 | 120.1° | 120.0° |
| C11 | C12 | N5 | 124.2° | 110.5° |
| C11 | C12 | N2 | 124.2° | 110.6° |
| C12 | C11 | H2 | 107.9° | 109.5° |
| C12 | C11 | H3 | 107.9° | 109.4° |
| C11 | C12 | H4 | 90.2° | 110.5° |
| C12 | N5 | N4 | 104.1° | 102.7° |
| N5 | C12 | N2 | 111.6° | 103.9° |
| N5 | C12 | H4 | 90.3° | 110.6° |
| C12 | N5 | H31 | 110.8° | 111.0° |
| N5 | N4 | N3 | 108.8° | 104.7° |
| N5 | N4 | H30 | 109.6° | 111.0° |
| N4 | N5 | H31 | 110.8° | 110.9° |
| C12 | N2 | N3 | 104.4° | 106.5° |
| N2 | C12 | H4 | 90.3° | 110.5° |
| C12 | N2 | H28 | 110.7° | 111.0° |
| N4 | N3 | N2 | 109.1° | 107.0° |
| N4 | N3 | H29 | 109.6° | 111.0° |
| N3 | N4 | H30 | 109.7° | 111.0° |
| N3 | N2 | H28 | 110.7° | 111.0° |
| N2 | N3 | H29 | 109.6° | 111.0° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H20 | C28 | H21 | 109.4° | 109.5° |
| H20 | C28 | H22 | 109.5° | 109.4° |
| H21 | C28 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | N9 | N10 | H34 | 119.9° | 121.3° |
| N9 | N8 | N7 | H33 | 120.0° | 119.9° |
| N8 | N9 | N10 | C21 | 4.4° | 0.4° |
| N9 | N8 | N7 | C21 | 10.7° | 37.4° |
| N8 | N9 | N10 | H27 | 114.8° | 120.6° |
| N9 | N8 | N7 | H32 | 129.8° | 81.3° |
| N10 | N9 | N8 | N7 | 4.0° | 23.7° |
| N9 | N10 | C21 | H27 | 119.2° | 121.0° |
| N9 | N10 | C21 | N7 | 11.5° | 22.7° |
| N9 | N10 | C21 | C20 | 166.9° | 141.4° |
| N9 | N10 | C21 | H15 | 102.2° | 95.9° |
| N10 | N9 | N8 | H33 | 115.9° | 143.6° |
| C19 | O3 | C16 | C15 | 0.4° | 180.0° |
| C19 | O3 | C16 | C17 | 179.5° | 0.0° |
| O3 | C19 | H9 | H10 | 120.0° | 120.0° |
| O3 | C19 | H9 | H11 | 120.0° | 119.9° |
| O3 | C19 | H10 | H11 | 120.0° | 120.0° |
| N8 | N7 | C21 | N10 | 13.9° | 37.0° |
| N8 | N7 | C21 | H32 | 119.1° | 118.7° |
| N8 | N7 | C21 | C20 | 164.6° | 155.7° |
| N8 | N7 | C21 | H15 | 104.6° | 81.7° |
| N7 | N8 | N9 | H34 | 115.9° | 145.0° |
| N10 | C21 | N7 | C20 | 178.4° | 118.7° |
| N10 | C21 | N7 | H15 | 90.7° | 118.7° |
| N10 | C21 | C20 | H15 | 90.9° | 122.7° |
| N10 | C21 | C20 | N6 | 99.1° | 58.0° |
| N10 | C21 | C20 | H13 | 21.9° | 178.1° |
| N10 | C21 | C20 | H14 | 139.8° | 62.0° |
| N10 | C21 | N7 | H32 | 133.0° | 81.7° |
| C21 | N10 | N9 | H34 | 124.3° | 121.7° |
| O3 | C16 | C15 | C17 | 180.0° | 180.0° |
| O3 | C16 | C15 | C14 | 179.9° | 180.0° |
| O3 | C16 | C17 | C18 | 179.9° | 180.0° |
| O3 | C16 | C15 | H6 | 0.1° | 0.0° |
| O3 | C16 | C17 | H7 | 0.1° | 0.1° |
| C16 | O3 | C19 | H9 | 180.0° | 59.9° |
| C16 | O3 | C19 | H10 | 60.0° | 180.0° |
| C16 | O3 | C19 | H11 | 60.0° | 60.0° |
| N7 | C21 | C20 | H15 | 90.9° | 122.7° |
| N7 | C21 | C20 | N6 | 82.7° | 56.6° |
| N7 | C21 | C20 | H13 | 156.3° | 63.4° |
| N7 | C21 | C20 | H14 | 38.4° | 176.6° |
| N7 | C21 | N10 | H27 | 107.6° | 143.7° |
| C21 | N7 | N8 | H33 | 109.3° | 157.4° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C14 | H5 | 179.6° | 180.0° |
| C15 | C16 | C17 | H7 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 1.2° | 0.0° |
| C15 | C14 | C13 | S1 | 179.4° | 179.7° |
| C21 | C20 | N6 | H13 | 121.0° | 120.0° |
| C21 | C20 | N6 | H14 | 121.0° | 120.0° |
| C21 | C20 | N6 | C7 | 60.8° | 85.0° |
| C21 | C20 | N6 | S2 | 123.8° | 95.0° |
| C21 | C20 | H13 | H14 | 116.7° | 120.0° |
| C20 | C21 | N10 | H27 | 73.9° | 97.6° |
| C20 | C21 | N7 | H32 | 45.5° | 37.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 0.9° | 0.0° |
| C17 | C16 | C15 | H6 | 179.9° | 180.0° |
| C16 | C17 | C18 | H8 | 179.1° | 179.7° |
| C14 | C13 | C18 | C17 | 1.5° | 0.0° |
| C14 | C13 | S1 | O1 | 13.8° | 23.8° |
| C14 | C13 | C18 | S1 | 178.2° | 179.7° |
| C14 | C13 | S1 | O2 | 143.7° | 156.7° |
| C14 | C13 | S1 | N1 | 100.7° | 89.7° |
| C13 | C14 | C15 | H6 | 179.6° | 180.0° |
| C14 | C13 | C18 | H8 | 178.6° | 179.7° |
| C20 | N6 | C7 | S2 | 175.2° | 180.0° |
| C20 | N6 | C7 | C8 | 85.0° | 84.9° |
| C20 | N6 | C7 | C5 | 94.8° | 95.0° |
| C20 | N6 | S2 | O5 | 34.1° | 156.4° |
| C20 | N6 | S2 | C22 | 81.9° | 90.0° |
| C20 | N6 | S2 | O4 | 162.2° | 23.5° |
| N6 | C20 | H13 | H14 | 116.8° | 120.0° |
| N6 | C20 | C21 | H15 | 8.2° | 179.3° |
| C17 | C18 | C13 | H8 | 180.0° | 179.7° |
| C17 | C18 | C13 | S1 | 179.7° | 179.7° |
| O1 | S1 | C13 | C18 | 164.4° | 156.5° |
| O1 | S1 | C13 | O2 | 129.8° | 132.9° |
| O1 | S1 | C13 | N1 | 114.5° | 113.5° |
| O1 | S1 | O2 | N1 | 120.9° | 122.9° |
| O1 | S1 | N1 | C10 | 38.6° | 31.1° |
| O1 | S1 | N1 | C11 | 137.1° | 148.9° |
| C18 | C13 | S1 | O2 | 34.6° | 23.6° |
| C18 | C13 | S1 | N1 | 81.1° | 90.0° |
| C18 | C13 | C14 | H5 | 178.8° | 180.0° |
| C13 | C18 | C17 | H7 | 179.0° | 180.0° |
| C13 | S1 | O2 | N1 | 116.9° | 114.1° |
| C13 | S1 | N1 | C10 | 76.1° | 82.4° |
| C13 | S1 | N1 | C11 | 108.3° | 97.6° |
| S1 | C13 | C14 | H5 | 0.6° | 0.3° |
| S1 | C13 | C18 | H8 | 0.4° | 0.0° |
| N6 | C7 | C8 | C5 | 179.8° | 179.9° |
| N6 | C7 | C8 | C9 | 180.0° | 180.0° |
| C7 | N6 | S2 | O5 | 141.4° | 23.6° |
| N6 | C7 | C5 | C6 | 0.2° | 0.0° |
| N6 | C7 | C5 | C4 | 179.9° | 179.4° |
| C7 | N6 | S2 | C22 | 102.6° | 90.0° |
| C7 | N6 | S2 | O4 | 13.2° | 156.5° |
| C7 | N6 | C20 | H13 | 60.2° | 155.0° |
| C7 | N6 | C20 | H14 | 178.2° | 35.0° |
| N6 | C7 | C8 | H25 | 0.0° | 0.1° |
| S2 | N6 | C7 | C8 | 99.8° | 95.1° |
| N6 | S2 | C22 | C23 | 89.8° | 89.7° |
| S2 | N6 | C7 | C5 | 80.4° | 85.0° |
| N6 | S2 | O5 | C22 | 116.3° | 114.1° |
| N6 | S2 | O5 | O4 | 121.6° | 122.9° |
| N6 | S2 | C22 | O4 | 116.3° | 113.5° |
| N6 | S2 | C22 | C27 | 92.0° | 90.1° |
| S2 | N6 | C20 | H13 | 115.2° | 25.0° |
| S2 | N6 | C20 | H14 | 2.7° | 145.0° |
| C7 | C8 | C9 | H25 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.8° |
| C8 | C7 | C5 | C6 | 179.9° | 180.0° |
| C8 | C7 | C5 | C4 | 0.2° | 0.5° |
| C7 | C8 | C9 | H26 | 179.7° | 180.0° |
| C9 | C8 | C7 | C5 | 0.2° | 0.0° |
| C8 | C9 | C10 | H26 | 180.0° | 179.2° |
| C8 | C9 | C10 | C4 | 0.5° | 1.0° |
| C8 | C9 | C10 | N1 | 179.5° | 179.5° |
| C23 | C24 | C25 | H17 | 180.0° | 180.0° |
| C24 | C23 | C22 | H16 | 180.0° | 180.0° |
| C23 | C24 | C25 | O6 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C23 | C22 | S2 | 179.3° | 180.0° |
| C24 | C23 | C22 | C27 | 1.0° | 0.2° |
| C25 | C24 | C23 | C22 | 0.6° | 0.0° |
| C24 | C25 | O6 | C26 | 179.9° | 180.0° |
| C24 | C25 | O6 | C28 | 175.3° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.2° |
| C25 | C24 | C23 | H16 | 179.4° | 180.0° |
| C24 | C25 | C26 | H18 | 179.9° | 179.9° |
| O2 | S1 | N1 | C10 | 167.5° | 164.0° |
| O2 | S1 | N1 | C11 | 8.2° | 16.0° |
| S1 | N1 | C10 | C9 | 82.7° | 95.5° |
| S1 | N1 | C10 | C4 | 98.2° | 85.0° |
| S1 | N1 | C10 | C11 | 175.7° | 180.0° |
| S1 | N1 | C11 | C12 | 77.8° | 94.8° |
| S1 | N1 | C11 | H2 | 43.1° | 145.1° |
| S1 | N1 | C11 | H3 | 161.3° | 25.1° |
| C23 | C22 | S2 | O5 | 25.1° | 156.7° |
| C23 | C22 | S2 | C27 | 178.3° | 179.8° |
| C23 | C22 | S2 | O4 | 153.9° | 23.8° |
| C23 | C22 | C27 | C26 | 0.9° | 0.5° |
| C22 | C23 | C24 | H17 | 179.4° | 180.0° |
| C23 | C22 | C27 | H19 | 179.1° | 179.7° |
| C7 | C5 | C6 | C4 | 179.7° | 179.5° |
| C7 | C5 | C6 | C1 | 179.6° | 179.9° |
| C7 | C5 | C4 | C10 | 0.4° | 0.3° |
| C7 | C5 | C4 | C3 | 179.8° | 179.8° |
| C7 | C5 | C6 | H24 | 0.3° | 0.6° |
| C5 | C7 | C8 | H25 | 179.8° | 180.0° |
| C9 | C10 | C4 | C5 | 0.5° | 0.5° |
| C9 | C10 | C4 | N1 | 179.1° | 179.5° |
| C9 | C10 | C4 | C3 | 179.7° | 179.5° |
| C9 | C10 | N1 | C11 | 101.6° | 84.5° |
| C10 | C9 | C8 | H25 | 179.7° | 179.2° |
| O5 | S2 | C22 | O4 | 128.9° | 132.9° |
| O5 | S2 | C22 | C27 | 153.2° | 23.5° |
| C5 | C6 | C1 | H24 | 180.0° | 179.4° |
| C6 | C5 | C4 | C10 | 179.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | C6 | C1 | C2 | 0.2° | 0.6° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C4 | C5 | C6 | C1 | 0.1° | 0.6° |
| C5 | C4 | C10 | C3 | 179.8° | 180.0° |
| C5 | C4 | C10 | N1 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H23 | 179.8° | 180.0° |
| C4 | C5 | C6 | H24 | 180.0° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | H12 | 179.9° | 179.7° |
| C4 | C10 | N1 | C11 | 77.4° | 95.0° |
| C10 | C4 | C3 | C2 | 180.0° | 180.0° |
| C10 | C4 | C3 | H23 | 0.0° | 0.0° |
| C4 | C10 | C9 | H26 | 179.6° | 179.7° |
| N1 | C10 | C4 | C3 | 0.7° | 0.0° |
| C10 | N1 | C11 | C12 | 106.4° | 85.1° |
| C10 | N1 | C11 | H2 | 132.7° | 34.9° |
| C10 | N1 | C11 | H3 | 14.5° | 154.9° |
| N1 | C10 | C9 | H26 | 0.6° | 0.2° |
| O6 | C25 | C26 | C27 | 179.7° | 179.7° |
| O6 | C25 | C24 | H17 | 0.1° | 0.1° |
| O6 | C25 | C26 | H18 | 0.2° | 0.0° |
| C25 | O6 | C28 | H20 | 180.0° | 60.1° |
| C25 | O6 | C28 | H21 | 60.0° | 60.0° |
| C25 | O6 | C28 | H22 | 60.0° | 180.0° |
| C28 | O6 | C25 | C26 | 4.6° | 0.0° |
| O6 | C28 | H20 | H21 | 120.0° | 120.1° |
| O6 | C28 | H20 | H22 | 120.0° | 119.9° |
| O6 | C28 | H21 | H22 | 120.0° | 120.0° |
| C25 | C26 | C27 | C22 | 0.3° | 0.5° |
| C25 | C26 | C27 | H18 | 180.0° | 179.7° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | H19 | 179.7° | 179.7° |
| S2 | C22 | C27 | C26 | 179.1° | 179.8° |
| S2 | C22 | C23 | H16 | 0.7° | 0.0° |
| S2 | C22 | C27 | H19 | 0.8° | 0.1° |
| C27 | C22 | S2 | O4 | 24.3° | 156.4° |
| C22 | C27 | C26 | H19 | 180.0° | 179.8° |
| C27 | C22 | C23 | H16 | 179.0° | 179.8° |
| C22 | C27 | C26 | H18 | 179.7° | 179.8° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H23 | 180.0° | 180.0° |
| C4 | C3 | C2 | H12 | 179.9° | 180.0° |
| N1 | C11 | C12 | H2 | 120.9° | 120.0° |
| N1 | C11 | C12 | H3 | 120.9° | 120.0° |
| N1 | C11 | C12 | N5 | 85.9° | 60.5° |
| N1 | C11 | C12 | N2 | 95.1° | 54.0° |
| N1 | C11 | H2 | H3 | 117.2° | 120.0° |
| N1 | C11 | C12 | H4 | 4.6° | 176.8° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | H23 | 179.9° | 180.0° |
| C2 | C1 | C6 | H24 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C11 | C12 | N5 | N2 | 179.1° | 118.6° |
| C11 | C12 | N5 | H4 | 90.5° | 122.7° |
| C11 | C12 | N5 | N4 | 170.0° | 155.7° |
| C11 | C12 | N2 | H4 | 90.4° | 122.7° |
| C11 | C12 | N2 | N3 | 177.7° | 141.4° |
| C12 | C11 | H2 | H3 | 117.1° | 120.0° |
| C11 | C12 | N2 | H28 | 63.1° | 20.4° |
| C11 | C12 | N5 | H31 | 50.9° | 85.6° |
| C12 | N5 | N4 | H31 | 119.1° | 118.7° |
| N5 | C12 | N2 | H4 | 90.4° | 118.7° |
| C12 | N5 | N4 | N3 | 14.5° | 37.6° |
| N5 | C12 | N2 | N3 | 3.2° | 22.8° |
| N5 | C12 | C11 | H2 | 35.0° | 59.6° |
| N5 | C12 | C11 | H3 | 153.2° | 179.5° |
| N5 | C12 | N2 | H28 | 116.0° | 98.1° |
| C12 | N5 | N4 | H30 | 105.4° | 82.3° |
| N4 | N5 | C12 | N2 | 10.8° | 37.1° |
| N5 | N4 | N3 | H30 | 119.9° | 119.8° |
| N5 | N4 | N3 | N2 | 13.2° | 23.7° |
| N4 | N5 | C12 | H4 | 79.6° | 81.6° |
| N5 | N4 | N3 | H29 | 133.2° | 145.0° |
| C12 | N2 | N3 | N4 | 6.2° | 0.3° |
| C12 | N2 | N3 | H28 | 119.2° | 121.0° |
| N2 | C12 | C11 | H2 | 144.0° | 174.0° |
| N2 | C12 | C11 | H3 | 25.9° | 66.0° |
| C12 | N2 | N3 | H29 | 126.1° | 121.6° |
| N2 | C12 | N5 | H31 | 130.0° | 155.8° |
| N4 | N3 | N2 | H29 | 119.9° | 121.3° |
| N4 | N3 | N2 | H28 | 125.3° | 121.3° |
| N3 | N4 | N5 | H31 | 133.6° | 156.3° |
| N3 | N2 | C12 | H4 | 87.3° | 95.9° |
| N2 | N3 | N4 | H30 | 106.6° | 96.1° |
| H1 | C1 | C2 | H12 | 0.1° | 0.1° |
| H1 | C1 | C6 | H24 | 0.2° | 0.4° |
| H2 | C11 | C12 | H4 | 125.5° | 63.2° |
| H3 | C11 | C12 | H4 | 116.4° | 56.8° |
| H4 | C12 | N2 | H28 | 153.5° | 143.1° |
| H4 | C12 | N5 | H31 | 39.6° | 37.1° |
| H5 | C14 | C15 | H6 | 0.4° | 0.0° |
| H7 | C17 | C18 | H8 | 0.9° | 0.2° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C2 | C3 | H23 | 0.1° | 0.0° |
| H13 | C20 | C21 | H15 | 112.8° | 59.2° |
| H14 | C20 | C21 | H15 | 129.3° | 60.7° |
| H15 | C21 | N10 | H27 | 16.9° | 25.0° |
| H15 | C21 | N7 | H32 | 136.3° | 159.6° |
| H16 | C23 | C24 | H17 | 0.6° | 0.0° |
| H18 | C26 | C27 | H19 | 0.3° | 0.0° |
| H20 | C28 | H21 | H22 | 120.0° | 120.0° |
| H25 | C8 | C9 | H26 | 0.3° | 0.0° |
| H27 | N10 | N9 | H34 | 5.2° | 0.7° |
| H28 | N2 | N3 | H29 | 114.7° | 117.4° |
| H29 | N3 | N4 | H30 | 13.3° | 25.1° |
| H30 | N4 | N5 | H31 | 13.7° | 36.4° |
| H32 | N7 | N8 | H33 | 9.8° | 38.6° |
| H33 | N8 | N9 | H34 | 124.1° | 95.1° |
