A1IG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S2 | doub | 1.42Å | 1.43Å | |
| C23 | S2 | sing | 1.81Å | 1.75Å | |
| S2 | O1 | doub | 1.42Å | 1.42Å | |
| S2 | N5 | sing | 1.66Å | 1.63Å | |
| C22 | N5 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C20 | C25 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C1 | N1 | sing | 1.46Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | N6 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C7 | sing | 1.35Å | 1.36Å | |
| N1 | C11 | sing | 1.40Å | 1.45Å | |
| N1 | C2 | sing | 1.38Å | 1.39Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.36Å | Aromatic |
| N2 | C2 | doub | 1.30Å | 1.30Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.39Å | Aromatic |
| N7 | C11 | sing | 1.36Å | 1.41Å | Aromatic |
| N7 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.42Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.46Å | |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C10 | doub | 1.34Å | 1.35Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N4 | sing | 1.34Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| S1 | C10 | sing | 1.76Å | 1.72Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | N3 | trip | 1.14Å | 1.14Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S2 | C23 | 108.4° | 110.5° |
| O2 | S2 | O1 | 118.2° | 121.0° |
| O2 | S2 | N5 | 106.1° | 104.3° |
| C23 | S2 | O1 | 111.2° | 110.5° |
| C23 | S2 | N5 | 105.1° | 104.4° |
| S2 | C23 | H22 | 109.5° | 109.5° |
| S2 | C23 | H20 | 109.5° | 109.4° |
| S2 | C23 | H21 | 109.5° | 109.5° |
| O1 | S2 | N5 | 106.9° | 104.3° |
| S2 | N5 | C22 | 113.0° | 120.6° |
| S2 | N5 | C24 | 119.1° | 120.7° |
| N5 | C22 | C21 | 108.0° | 108.8° |
| C22 | N5 | C24 | 112.8° | 118.7° |
| N5 | C22 | H19 | 109.8° | 109.6° |
| N5 | C22 | H18 | 109.8° | 109.6° |
| C22 | C21 | C20 | 110.6° | 109.3° |
| C22 | C21 | H16 | 109.2° | 109.5° |
| C22 | C21 | H17 | 109.2° | 109.5° |
| C21 | C22 | H19 | 109.8° | 109.5° |
| C21 | C22 | H18 | 109.8° | 109.6° |
| N5 | C24 | C25 | 110.1° | 108.8° |
| N5 | C24 | H23 | 109.3° | 109.6° |
| N5 | C24 | H24 | 109.3° | 109.6° |
| C21 | C20 | C25 | 110.5° | 109.6° |
| C21 | C20 | C19 | 108.9° | 109.5° |
| C21 | C20 | H15 | 106.8° | 109.4° |
| C20 | C21 | H16 | 109.2° | 109.6° |
| C20 | C21 | H17 | 109.2° | 109.5° |
| C24 | C25 | C20 | 111.2° | 109.4° |
| C25 | C24 | H23 | 109.3° | 109.6° |
| C25 | C24 | H24 | 109.3° | 109.6° |
| C24 | C25 | H26 | 109.0° | 109.4° |
| C24 | C25 | H25 | 109.0° | 109.5° |
| C25 | C20 | C19 | 116.2° | 109.5° |
| C25 | C20 | H15 | 106.8° | 109.4° |
| C20 | C25 | H26 | 109.1° | 109.5° |
| C20 | C25 | H25 | 109.0° | 109.5° |
| C20 | C19 | N6 | 118.2° | 119.5° |
| C20 | C19 | C18 | 118.2° | 119.5° |
| C19 | C20 | H15 | 107.2° | 109.4° |
| C1 | N1 | C11 | 125.6° | 120.0° |
| C1 | N1 | C2 | 117.1° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C5 | C6 | C7 | 118.0° | 120.1° |
| C6 | C5 | C4 | 120.3° | 119.9° |
| C6 | C5 | H4 | 119.9° | 120.1° |
| C5 | C6 | H5 | 121.0° | 119.9° |
| C6 | C7 | F1 | 116.9° | 119.9° |
| C6 | C7 | C8 | 123.9° | 120.2° |
| C7 | C6 | H5 | 121.0° | 119.9° |
| N6 | C19 | C18 | 123.5° | 121.0° |
| C19 | N6 | N7 | 114.4° | 120.7° |
| C19 | C18 | C17 | 120.5° | 120.2° |
| C19 | C18 | H14 | 119.7° | 119.9° |
| N6 | N7 | C11 | 127.0° | 133.0° |
| N6 | N7 | C16 | 125.4° | 119.9° |
| C5 | C4 | C3 | 119.1° | 120.1° |
| C5 | C4 | C9 | 120.1° | 119.8° |
| C4 | C5 | H4 | 119.9° | 120.0° |
| F1 | C7 | C8 | 119.2° | 119.9° |
| C11 | N1 | C2 | 117.0° | 120.0° |
| N1 | C11 | N7 | 123.7° | 126.5° |
| N1 | C11 | C12 | 130.8° | 126.4° |
| N1 | C2 | N2 | 123.0° | 125.3° |
| N1 | C2 | S1 | 123.1° | 125.3° |
| C7 | C8 | C9 | 117.9° | 120.1° |
| C7 | C8 | H6 | 121.0° | 120.0° |
| C18 | C17 | C16 | 117.5° | 119.1° |
| C18 | C17 | H13 | 121.2° | 120.5° |
| C17 | C18 | H14 | 119.7° | 119.9° |
| C2 | N2 | C3 | 110.9° | 116.8° |
| N2 | C2 | S1 | 113.8° | 109.4° |
| N2 | C3 | C4 | 119.5° | 122.4° |
| N2 | C3 | C10 | 115.2° | 115.3° |
| C11 | N7 | C16 | 107.5° | 107.0° |
| N7 | C11 | C12 | 104.1° | 107.1° |
| N7 | C16 | C17 | 118.5° | 119.1° |
| N7 | C16 | N4 | 112.0° | 108.1° |
| C11 | C12 | N4 | 109.7° | 108.6° |
| C11 | C12 | C13 | 138.0° | 125.7° |
| C2 | S1 | C10 | 89.6° | 90.1° |
| C3 | C4 | C9 | 120.7° | 120.1° |
| C4 | C3 | C10 | 125.2° | 122.3° |
| C4 | C9 | C8 | 119.8° | 119.8° |
| C4 | C9 | H7 | 120.1° | 120.1° |
| C3 | C10 | S1 | 110.1° | 108.3° |
| C3 | C10 | H8 | 124.9° | 125.8° |
| C17 | C16 | N4 | 129.5° | 132.8° |
| C16 | C17 | H13 | 121.3° | 120.4° |
| C16 | N4 | C12 | 106.4° | 109.2° |
| C8 | C9 | H7 | 120.1° | 120.1° |
| C9 | C8 | H6 | 121.0° | 119.9° |
| N4 | C12 | C13 | 111.8° | 125.7° |
| C12 | C13 | C14 | 115.8° | 109.5° |
| C12 | C13 | H9 | 107.9° | 109.4° |
| C12 | C13 | H10 | 107.9° | 109.4° |
| S1 | C10 | H8 | 124.9° | 125.9° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C14 | C13 | H9 | 107.9° | 109.5° |
| C14 | C13 | H10 | 107.9° | 109.5° |
| C13 | C14 | H11 | 108.4° | 109.5° |
| C13 | C14 | H12 | 108.4° | 109.5° |
| C14 | C15 | N3 | 174.2° | 180.0° |
| C15 | C14 | H11 | 108.5° | 109.4° |
| C15 | C14 | H12 | 108.4° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H19 | C22 | H18 | 109.4° | 109.7° |
| H22 | C23 | H20 | 109.5° | 109.5° |
| H22 | C23 | H21 | 109.4° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.4° | 109.7° |
| H26 | C25 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S2 | C23 | O1 | 131.5° | 136.7° |
| O2 | S2 | C23 | N5 | 113.2° | 111.6° |
| O2 | S2 | O1 | N5 | 119.5° | 116.8° |
| O2 | S2 | N5 | C22 | 44.5° | 153.6° |
| O2 | S2 | N5 | C24 | 179.6° | 26.0° |
| O2 | S2 | C23 | H22 | 180.0° | 68.3° |
| O2 | S2 | C23 | H20 | 60.0° | 51.7° |
| O2 | S2 | C23 | H21 | 60.0° | 171.6° |
| C23 | S2 | O1 | N5 | 114.2° | 111.8° |
| C23 | S2 | N5 | C22 | 70.3° | 90.3° |
| C23 | S2 | N5 | C24 | 65.6° | 90.0° |
| S2 | C23 | H22 | H20 | 120.0° | 120.0° |
| S2 | C23 | H22 | H21 | 120.0° | 120.0° |
| S2 | C23 | H20 | H21 | 120.0° | 119.9° |
| O1 | S2 | N5 | C22 | 171.5° | 25.8° |
| O1 | S2 | N5 | C24 | 52.6° | 153.9° |
| O1 | S2 | C23 | H22 | 48.5° | 68.4° |
| O1 | S2 | C23 | H20 | 168.5° | 171.6° |
| O1 | S2 | C23 | H21 | 71.5° | 51.7° |
| S2 | N5 | C22 | C24 | 138.7° | 179.7° |
| S2 | N5 | C22 | C21 | 157.9° | 126.1° |
| S2 | N5 | C24 | C25 | 163.7° | 126.1° |
| S2 | N5 | C22 | H19 | 38.1° | 6.3° |
| S2 | N5 | C22 | H18 | 82.4° | 114.1° |
| N5 | S2 | C23 | H22 | 66.8° | 180.0° |
| N5 | S2 | C23 | H20 | 53.2° | 59.9° |
| N5 | S2 | C23 | H21 | 173.2° | 60.0° |
| S2 | N5 | C24 | H23 | 76.2° | 114.1° |
| S2 | N5 | C24 | H24 | 43.6° | 6.3° |
| N5 | C22 | C21 | H19 | 119.8° | 119.8° |
| N5 | C22 | C21 | H18 | 119.8° | 119.8° |
| N5 | C22 | C21 | C20 | 59.7° | 54.6° |
| C22 | N5 | C24 | C25 | 60.3° | 53.6° |
| N5 | C22 | C21 | H16 | 60.5° | 174.6° |
| N5 | C22 | C21 | H17 | 179.8° | 65.3° |
| N5 | C22 | H19 | H18 | 120.7° | 120.4° |
| C22 | N5 | C24 | H23 | 59.8° | 66.2° |
| C22 | N5 | C24 | H24 | 179.6° | 173.4° |
| C21 | C22 | N5 | C24 | 63.4° | 53.6° |
| C22 | C21 | C20 | H16 | 120.1° | 120.0° |
| C22 | C21 | C20 | H17 | 120.2° | 120.0° |
| C22 | C21 | C20 | C25 | 54.9° | 61.3° |
| C22 | C21 | C20 | C19 | 176.3° | 178.6° |
| C22 | C21 | C20 | H15 | 60.8° | 58.7° |
| C22 | C21 | H16 | H17 | 119.5° | 120.1° |
| C21 | C22 | H19 | H18 | 120.7° | 120.3° |
| N5 | C24 | C25 | H23 | 120.1° | 119.7° |
| N5 | C24 | C25 | H24 | 120.1° | 119.8° |
| N5 | C24 | C25 | C20 | 53.0° | 54.6° |
| C24 | N5 | C22 | H19 | 176.8° | 173.4° |
| C24 | N5 | C22 | H18 | 56.4° | 66.2° |
| N5 | C24 | H23 | H24 | 119.7° | 120.3° |
| N5 | C24 | C25 | H26 | 173.2° | 65.4° |
| N5 | C24 | C25 | H25 | 67.3° | 174.6° |
| C21 | C20 | C25 | C24 | 51.1° | 61.3° |
| C21 | C20 | C25 | C19 | 124.7° | 120.1° |
| C21 | C20 | C25 | H15 | 115.7° | 120.0° |
| C21 | C20 | C19 | H15 | 115.2° | 119.9° |
| C21 | C20 | C19 | N6 | 24.6° | 114.8° |
| C21 | C20 | C19 | C18 | 150.8° | 65.5° |
| C20 | C21 | H16 | H17 | 119.5° | 120.0° |
| C20 | C21 | C22 | H19 | 179.5° | 174.4° |
| C20 | C21 | C22 | H18 | 60.1° | 65.2° |
| C21 | C20 | C25 | H26 | 171.4° | 58.6° |
| C21 | C20 | C25 | H25 | 69.2° | 178.7° |
| C24 | C25 | C20 | H26 | 120.3° | 119.9° |
| C24 | C25 | C20 | H25 | 120.3° | 120.0° |
| C24 | C25 | C20 | C19 | 175.8° | 178.6° |
| C24 | C25 | C20 | H15 | 64.6° | 58.7° |
| C25 | C24 | H23 | H24 | 119.7° | 120.4° |
| C24 | C25 | H26 | H25 | 119.2° | 120.0° |
| C25 | C20 | C19 | H15 | 119.4° | 120.0° |
| C25 | C20 | C19 | N6 | 100.8° | 5.4° |
| C25 | C20 | C19 | C18 | 83.7° | 174.4° |
| C25 | C20 | C21 | H16 | 65.2° | 178.7° |
| C25 | C20 | C21 | H17 | 175.1° | 58.7° |
| C20 | C25 | C24 | H23 | 67.2° | 65.1° |
| C20 | C25 | C24 | H24 | 173.1° | 174.4° |
| C20 | C25 | H26 | H25 | 119.2° | 120.1° |
| C20 | C19 | N6 | C18 | 175.2° | 179.7° |
| C20 | C19 | N6 | N7 | 175.2° | 180.0° |
| C20 | C19 | C18 | C17 | 177.5° | 179.7° |
| C20 | C19 | C18 | H14 | 2.5° | 0.3° |
| C19 | C20 | C21 | H16 | 63.6° | 58.6° |
| C19 | C20 | C21 | H17 | 56.1° | 61.4° |
| C19 | C20 | C25 | H26 | 64.0° | 61.5° |
| C19 | C20 | C25 | H25 | 55.5° | 58.6° |
| C1 | N1 | C11 | C2 | 174.0° | 179.9° |
| C1 | N1 | C2 | N2 | 10.6° | 5.4° |
| C1 | N1 | C11 | N7 | 62.4° | 88.9° |
| C1 | N1 | C11 | C12 | 132.9° | 90.7° |
| C1 | N1 | C2 | S1 | 164.7° | 175.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.1° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | F1 | 179.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.8° | 0.1° |
| C6 | C5 | C4 | C3 | 177.5° | 180.0° |
| C6 | C5 | C4 | C9 | 0.1° | 0.3° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C7 | F1 | C8 | 179.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.6° | 0.2° |
| C7 | C6 | C5 | H4 | 179.9° | 179.9° |
| C6 | C7 | C8 | H6 | 178.4° | 180.0° |
| N6 | C19 | C18 | C17 | 2.3° | 0.0° |
| C19 | N6 | N7 | C11 | 178.0° | 179.6° |
| C19 | N6 | N7 | C16 | 3.8° | 0.6° |
| N6 | C19 | C18 | H14 | 177.7° | 180.0° |
| N6 | C19 | C20 | H15 | 139.8° | 125.3° |
| C18 | C19 | N6 | N7 | 0.0° | 0.3° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.0° | 0.0° |
| C19 | C18 | C17 | H13 | 179.0° | 180.0° |
| C18 | C19 | C20 | H15 | 35.7° | 54.4° |
| N6 | N7 | C11 | N1 | 6.2° | 0.8° |
| N6 | N7 | C11 | C16 | 178.4° | 179.1° |
| N6 | N7 | C11 | C12 | 174.3° | 179.5° |
| N6 | N7 | C16 | C17 | 5.1° | 0.6° |
| N6 | N7 | C16 | N4 | 177.4° | 179.7° |
| C5 | C4 | C3 | N2 | 10.4° | 179.1° |
| C5 | C4 | C3 | C9 | 177.4° | 179.7° |
| C5 | C4 | C3 | C10 | 166.3° | 0.3° |
| C5 | C4 | C9 | C8 | 0.8° | 0.5° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C9 | H7 | 179.2° | 179.7° |
| F1 | C7 | C8 | C9 | 179.4° | 179.8° |
| F1 | C7 | C6 | H5 | 0.2° | 0.0° |
| F1 | C7 | C8 | H6 | 0.6° | 0.1° |
| C11 | N1 | C2 | N2 | 174.9° | 174.7° |
| N1 | C11 | N7 | C12 | 168.1° | 179.7° |
| N1 | C11 | N7 | C16 | 172.2° | 179.8° |
| C11 | N1 | C2 | S1 | 9.8° | 4.9° |
| N1 | C11 | C12 | N4 | 172.7° | 180.0° |
| N1 | C11 | C12 | C13 | 16.8° | 0.0° |
| C11 | N1 | C1 | H1 | 180.0° | 88.8° |
| C11 | N1 | C1 | H2 | 60.0° | 151.2° |
| C11 | N1 | C1 | H3 | 60.0° | 31.2° |
| N1 | C2 | N2 | S1 | 175.7° | 179.6° |
| N1 | C2 | N2 | C3 | 177.8° | 179.7° |
| C2 | N1 | C11 | N7 | 111.6° | 91.0° |
| C2 | N1 | C11 | C12 | 53.1° | 89.3° |
| N1 | C2 | S1 | C10 | 179.7° | 180.0° |
| C2 | N1 | C1 | H1 | 6.0° | 91.2° |
| C2 | N1 | C1 | H2 | 114.0° | 28.8° |
| C2 | N1 | C1 | H3 | 126.0° | 148.7° |
| C7 | C8 | C9 | C4 | 1.6° | 0.4° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | H5 | 179.2° | 179.9° |
| C7 | C8 | C9 | H7 | 178.4° | 179.7° |
| C18 | C17 | C16 | N7 | 2.4° | 0.3° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C18 | C17 | C16 | N4 | 179.4° | 180.0° |
| C2 | N2 | C3 | C4 | 177.5° | 179.8° |
| C2 | N2 | C3 | C10 | 5.5° | 0.3° |
| N2 | C2 | S1 | C10 | 4.6° | 0.3° |
| C3 | N2 | C2 | S1 | 6.5° | 0.1° |
| N2 | C3 | C4 | C10 | 176.6° | 179.5° |
| N2 | C3 | C4 | C9 | 172.2° | 0.6° |
| N2 | C3 | C10 | S1 | 2.0° | 0.6° |
| N2 | C3 | C10 | H8 | 178.0° | 179.4° |
| C11 | N7 | C16 | C17 | 176.5° | 179.8° |
| C11 | N7 | C16 | N4 | 1.1° | 0.4° |
| N7 | C11 | C12 | N4 | 5.8° | 0.3° |
| N7 | C11 | C12 | C13 | 176.3° | 179.7° |
| C16 | N7 | C11 | C12 | 4.1° | 0.4° |
| N7 | C16 | C17 | N4 | 177.0° | 179.7° |
| N7 | C16 | N4 | C12 | 2.6° | 0.3° |
| N7 | C16 | C17 | H13 | 177.6° | 179.7° |
| C11 | C12 | N4 | C16 | 5.3° | 0.0° |
| C11 | C12 | N4 | C13 | 173.1° | 180.0° |
| C11 | C12 | C13 | C14 | 79.4° | 95.3° |
| C11 | C12 | C13 | H9 | 41.5° | 144.7° |
| C11 | C12 | C13 | H10 | 159.6° | 24.7° |
| C2 | S1 | C10 | C3 | 1.3° | 0.5° |
| C2 | S1 | C10 | H8 | 178.7° | 179.5° |
| C3 | C4 | C9 | C8 | 176.6° | 179.8° |
| C4 | C3 | C10 | S1 | 178.8° | 180.0° |
| C3 | C4 | C5 | H4 | 2.5° | 0.1° |
| C4 | C3 | C10 | H8 | 1.2° | 0.1° |
| C3 | C4 | C9 | H7 | 3.4° | 0.0° |
| C9 | C4 | C3 | C10 | 11.1° | 180.0° |
| C4 | C9 | C8 | H7 | 180.0° | 179.8° |
| C9 | C4 | C5 | H4 | 179.9° | 179.8° |
| C4 | C9 | C8 | H6 | 178.4° | 179.7° |
| C3 | C10 | S1 | H8 | 180.0° | 180.0° |
| C17 | C16 | N4 | C12 | 179.8° | 180.0° |
| C16 | C17 | C18 | H14 | 179.0° | 180.0° |
| C16 | N4 | C12 | C13 | 178.4° | 180.0° |
| N4 | C16 | C17 | H13 | 0.6° | 0.0° |
| N4 | C12 | C13 | C14 | 110.2° | 84.6° |
| N4 | C12 | C13 | H9 | 128.8° | 35.4° |
| N4 | C12 | C13 | H10 | 10.7° | 155.3° |
| C12 | C13 | C14 | H9 | 120.9° | 119.9° |
| C12 | C13 | C14 | H10 | 120.9° | 120.0° |
| C12 | C13 | C14 | C15 | 61.3° | 180.0° |
| C12 | C13 | H9 | H10 | 117.1° | 119.9° |
| C12 | C13 | C14 | H11 | 59.3° | 60.1° |
| C12 | C13 | C14 | H12 | 178.0° | 60.0° |
| C13 | C14 | C15 | H11 | 120.6° | 120.0° |
| C13 | C14 | C15 | H12 | 120.6° | 120.1° |
| C13 | C14 | C15 | N3 | 137.7° | 58.1° |
| C14 | C13 | H9 | H10 | 117.1° | 120.1° |
| C13 | C14 | H11 | H12 | 118.1° | 120.1° |
| C15 | C14 | C13 | H9 | 177.8° | 60.1° |
| C15 | C14 | C13 | H10 | 59.6° | 60.0° |
| C15 | C14 | H11 | H12 | 118.1° | 119.9° |
| N3 | C15 | C14 | H11 | 17.1° | 178.1° |
| N3 | C15 | C14 | H12 | 101.7° | 61.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 0.0° | 0.1° |
| H7 | C9 | C8 | H6 | 1.6° | 0.1° |
| H9 | C13 | C14 | H11 | 61.6° | NaN° |
| H9 | C13 | C14 | H12 | 57.1° | 59.9° |
| H10 | C13 | C14 | H11 | 179.7° | 59.9° |
| H10 | C13 | C14 | H12 | 61.0° | 180.0° |
| H13 | C17 | C18 | H14 | 1.0° | 0.0° |
| H15 | C20 | C21 | H16 | 179.0° | 61.3° |
| H15 | C20 | C21 | H17 | 59.3° | 178.7° |
| H15 | C20 | C25 | H26 | 55.6° | 178.6° |
| H15 | C20 | C25 | H25 | 175.1° | 61.3° |
| H16 | C21 | C22 | H19 | 59.3° | 65.6° |
| H16 | C21 | C22 | H18 | 179.7° | 54.8° |
| H17 | C21 | C22 | H19 | 60.4° | 54.5° |
| H17 | C21 | C22 | H18 | 60.0° | 174.8° |
| H22 | C23 | H20 | H21 | 120.0° | 120.1° |
| H23 | C24 | C25 | H26 | 53.1° | 174.9° |
| H23 | C24 | C25 | H25 | 172.6° | 54.9° |
| H24 | C24 | C25 | H26 | 66.6° | 54.4° |
| H24 | C24 | C25 | H25 | 52.8° | 65.6° |
