QG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | N8 | doub | 1.12Å | 1.24Å | |
| N7 | N8 | doub | 1.12Å | 1.24Å | |
| N7 | FE1 | sing | 1.88Å | 2.15Å | |
| C22 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
| C22 | N5 | sing | 1.31Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| FE1 | N5 | sing | 1.90Å | 2.27Å | |
| FE1 | N3 | sing | 1.94Å | 2.27Å | |
| N5 | C18 | doub | 1.37Å | 1.35Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.44Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | N6 | sing | 1.47Å | 1.49Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| N4 | C16 | doub | 1.31Å | 1.38Å | Aromatic |
| N4 | C12 | sing | 1.30Å | 1.32Å | Aromatic |
| C17 | N3 | sing | 1.48Å | 1.46Å | |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| N3 | C23 | sing | 1.47Å | 1.44Å | |
| N3 | C11 | sing | 1.48Å | 1.53Å | |
| C1 | N6 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | doub | 1.39Å | 1.45Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C10 | sing | 1.54Å | 1.56Å | |
| C6 | S1 | sing | 1.84Å | 1.79Å | |
| N2 | C10 | sing | 1.47Å | 1.44Å | |
| N2 | C9 | sing | 1.34Å | 1.38Å | |
| C10 | C8 | sing | 1.53Å | 1.56Å | |
| S1 | C7 | sing | 1.84Å | 1.78Å | |
| C9 | O2 | doub | 1.22Å | 1.26Å | |
| C9 | N1 | sing | 1.34Å | 1.35Å | |
| C8 | C7 | sing | 1.54Å | 1.55Å | |
| C8 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| C13 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| N9 | H33 | sing | 0.97Å | 1.00Å | |
| FE1 | N4 | sing | 1.90Å | 2.52Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | N8 | N7 | 177.2° | 180.0° |
| N8 | N9 | H33 | 112.0° | 120.0° |
| N8 | N7 | FE1 | 120.1° | 120.0° |
| N7 | FE1 | N5 | 103.5° | 116.7° |
| N7 | FE1 | N3 | 100.7° | 118.6° |
| N7 | FE1 | N4 | 175.0° | 117.5° |
| C21 | C22 | N5 | 121.0° | 121.1° |
| C22 | C21 | C20 | 117.2° | 117.6° |
| C21 | C22 | H29 | 119.5° | 119.5° |
| C22 | C21 | H30 | 121.4° | 121.2° |
| C22 | N5 | FE1 | 129.2° | 131.4° |
| C22 | N5 | C18 | 122.1° | 124.6° |
| N5 | C22 | H29 | 119.5° | 119.4° |
| C21 | C20 | C19 | 120.6° | 120.8° |
| C20 | C21 | H30 | 121.4° | 121.2° |
| C21 | C20 | H31 | 119.7° | 120.4° |
| N5 | FE1 | N3 | 82.6° | 96.9° |
| FE1 | N5 | C18 | 108.6° | 104.0° |
| N5 | FE1 | N4 | 71.5° | 107.6° |
| FE1 | N3 | C17 | 102.0° | 98.1° |
| FE1 | N3 | C23 | 128.1° | 117.4° |
| FE1 | N3 | C11 | 90.1° | 97.2° |
| N3 | FE1 | N4 | 78.9° | 95.9° |
| N5 | C18 | C19 | 120.8° | 116.1° |
| N5 | C18 | C17 | 119.9° | 118.4° |
| C20 | C19 | C18 | 118.3° | 119.8° |
| C19 | C20 | H31 | 119.7° | 118.8° |
| C20 | C19 | H32 | 120.9° | 120.8° |
| C19 | C18 | C17 | 119.3° | 125.5° |
| C18 | C19 | H32 | 120.9° | 119.4° |
| C18 | C17 | N3 | 124.2° | 117.1° |
| C18 | C17 | H23 | 105.7° | 107.9° |
| C18 | C17 | H24 | 105.7° | 107.9° |
| C23 | C24 | N6 | 107.1° | 109.5° |
| C24 | C23 | N3 | 117.3° | 109.5° |
| C23 | C24 | H16 | 110.1° | 109.5° |
| C23 | C24 | H17 | 110.1° | 109.4° |
| C24 | C23 | H19 | 107.5° | 109.5° |
| C24 | C23 | H20 | 107.5° | 109.4° |
| C24 | N6 | C1 | 94.3° | 119.9° |
| N6 | C24 | H16 | 110.1° | 109.5° |
| N6 | C24 | H17 | 110.1° | 109.5° |
| C24 | N6 | H18 | 132.8° | 120.0° |
| O1 | C1 | N6 | 137.6° | 120.0° |
| O1 | C1 | C2 | 112.2° | 120.0° |
| C16 | N4 | C12 | 121.6° | 123.6° |
| N4 | C16 | C15 | 119.7° | 121.0° |
| N4 | C16 | H25 | 120.2° | 119.5° |
| C16 | N4 | FE1 | 136.2° | 131.4° |
| N4 | C12 | C11 | 115.9° | 119.2° |
| N4 | C12 | C13 | 120.7° | 118.8° |
| C12 | N4 | FE1 | 102.1° | 105.0° |
| C17 | N3 | C23 | 108.7° | 116.4° |
| C17 | N3 | C11 | 121.4° | 108.4° |
| N3 | C17 | H23 | 105.7° | 107.9° |
| N3 | C17 | H24 | 105.7° | 107.9° |
| C16 | C15 | C14 | 122.1° | 117.6° |
| C15 | C16 | H25 | 120.1° | 119.5° |
| C16 | C15 | H26 | 118.9° | 121.2° |
| C23 | N3 | C11 | 107.1° | 116.4° |
| N3 | C23 | H19 | 107.5° | 109.5° |
| N3 | C23 | H20 | 107.5° | 109.5° |
| N3 | C11 | C12 | 123.1° | 117.0° |
| N3 | C11 | H21 | 106.0° | 107.9° |
| N3 | C11 | H22 | 106.0° | 108.0° |
| N6 | C1 | C2 | 106.2° | 120.0° |
| C1 | N6 | H18 | 132.9° | 120.1° |
| C1 | C2 | C3 | 117.2° | 109.5° |
| C1 | C2 | H14 | 107.5° | 109.4° |
| C1 | C2 | H15 | 107.5° | 109.5° |
| C11 | C12 | C13 | 123.5° | 122.0° |
| C12 | C11 | H21 | 106.0° | 107.9° |
| C12 | C11 | H22 | 106.0° | 107.9° |
| C2 | C3 | C4 | 109.1° | 109.4° |
| C2 | C3 | H12 | 109.6° | 109.5° |
| C2 | C3 | H13 | 109.6° | 109.5° |
| C3 | C2 | H14 | 107.5° | 109.5° |
| C3 | C2 | H15 | 107.5° | 109.5° |
| C12 | C13 | C14 | 120.1° | 119.6° |
| C12 | C13 | H28 | 120.0° | 120.9° |
| C15 | C14 | C13 | 115.7° | 119.4° |
| C14 | C15 | H26 | 119.0° | 121.2° |
| C15 | C14 | H27 | 122.2° | 120.3° |
| C3 | C4 | C5 | 113.8° | 109.4° |
| C3 | C4 | H10 | 108.4° | 109.5° |
| C3 | C4 | H11 | 108.4° | 109.5° |
| C4 | C3 | H12 | 109.5° | 109.5° |
| C4 | C3 | H13 | 109.6° | 109.5° |
| C13 | C14 | H27 | 122.2° | 120.3° |
| C14 | C13 | H28 | 120.0° | 119.5° |
| C4 | C5 | C6 | 115.9° | 109.4° |
| C4 | C5 | H8 | 107.8° | 109.5° |
| C4 | C5 | H9 | 107.8° | 109.5° |
| C5 | C4 | H10 | 108.4° | 109.5° |
| C5 | C4 | H11 | 108.4° | 109.5° |
| C5 | C6 | C10 | 114.4° | 110.8° |
| C5 | C6 | S1 | 116.1° | 110.6° |
| C5 | C6 | H7 | 108.4° | 110.8° |
| C6 | C5 | H8 | 107.8° | 109.5° |
| C6 | C5 | H9 | 107.9° | 109.4° |
| C10 | C6 | S1 | 103.4° | 102.8° |
| C6 | C10 | N2 | 111.8° | 109.2° |
| C6 | C10 | C8 | 109.0° | 112.3° |
| C6 | C10 | H3 | 109.6° | 110.5° |
| C10 | C6 | H7 | 108.2° | 110.8° |
| C6 | S1 | C7 | 89.8° | 94.8° |
| S1 | C6 | H7 | 105.8° | 110.7° |
| C10 | N2 | C9 | 109.0° | 109.1° |
| N2 | C10 | C8 | 105.5° | 104.0° |
| C10 | N2 | H2 | 125.5° | 125.4° |
| N2 | C10 | H3 | 111.2° | 110.3° |
| N2 | C9 | O2 | 121.1° | 123.1° |
| N2 | C9 | N1 | 112.7° | 113.8° |
| C9 | N2 | H2 | 125.5° | 125.5° |
| C10 | C8 | C7 | 106.7° | 112.4° |
| C10 | C8 | N1 | 102.5° | 104.0° |
| C8 | C10 | H3 | 109.6° | 110.4° |
| C10 | C8 | H4 | 112.0° | 110.3° |
| S1 | C7 | C8 | 106.6° | 102.7° |
| S1 | C7 | H5 | 110.2° | 110.8° |
| S1 | C7 | H6 | 110.2° | 110.9° |
| O2 | C9 | N1 | 122.7° | 123.1° |
| C9 | N1 | C8 | 109.7° | 109.1° |
| C9 | N1 | H1 | 125.2° | 125.5° |
| C7 | C8 | N1 | 109.8° | 109.2° |
| C7 | C8 | H4 | 112.1° | 110.2° |
| C8 | C7 | H5 | 110.2° | 110.8° |
| C8 | C7 | H6 | 110.2° | 110.8° |
| C8 | N1 | H1 | 125.1° | 125.4° |
| N1 | C8 | H4 | 113.1° | 110.5° |
| H5 | C7 | H6 | 109.5° | 110.7° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.4° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.4° | 109.5° |
| H21 | C11 | H22 | 109.4° | 107.8° |
| H23 | C17 | H24 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | N8 | N7 | FE1 | 162.4° | 41.1° |
| N8 | N7 | FE1 | N5 | 49.1° | 60.0° |
| N8 | N7 | FE1 | N3 | 35.8° | 175.4° |
| N7 | N8 | N9 | H33 | 0.0° | 123.8° |
| N8 | N7 | FE1 | N4 | 49.0° | 70.1° |
| N7 | FE1 | N5 | C22 | 90.7° | 42.8° |
| N7 | FE1 | N5 | N3 | 99.3° | 127.0° |
| N7 | FE1 | N5 | N4 | 180.0° | 134.6° |
| N7 | FE1 | N3 | N4 | 174.9° | 125.8° |
| N7 | FE1 | N5 | C18 | 93.1° | 136.2° |
| N7 | FE1 | N4 | C16 | 64.7° | 65.3° |
| N7 | FE1 | N4 | C12 | 112.1° | 114.4° |
| N7 | FE1 | N3 | C17 | 90.4° | 144.3° |
| N7 | FE1 | N3 | C23 | 35.3° | 18.8° |
| N7 | FE1 | N3 | C11 | 147.3° | 105.9° |
| C21 | C22 | N5 | H29 | 180.0° | 179.9° |
| C22 | C21 | C20 | H30 | 180.0° | 179.9° |
| C21 | C22 | N5 | FE1 | 176.9° | 179.2° |
| C21 | C22 | N5 | C18 | 1.1° | 0.3° |
| C22 | C21 | C20 | C19 | 0.3° | 0.9° |
| C22 | C21 | C20 | H31 | 179.7° | 179.6° |
| N5 | C22 | C21 | C20 | 0.3° | 0.0° |
| C22 | N5 | FE1 | C18 | 176.3° | 179.0° |
| C22 | N5 | FE1 | N3 | 170.0° | 169.8° |
| C22 | N5 | C18 | C19 | 1.1° | 0.4° |
| C22 | N5 | C18 | C17 | 178.2° | 176.7° |
| N5 | C22 | C21 | H30 | 179.7° | 179.9° |
| C22 | N5 | FE1 | N4 | 89.3° | 91.7° |
| C21 | C20 | C19 | H31 | 180.0° | 178.7° |
| C21 | C20 | C19 | C18 | 0.3° | 1.6° |
| C20 | C21 | C22 | H29 | 179.7° | 179.9° |
| C21 | C20 | C19 | H32 | 179.7° | 178.8° |
| N5 | FE1 | N3 | N4 | 72.5° | 108.6° |
| FE1 | N5 | C18 | C19 | 177.7° | 178.8° |
| FE1 | N5 | C18 | C17 | 1.6° | 4.2° |
| N5 | FE1 | N4 | C16 | 64.6° | 68.9° |
| N5 | FE1 | N4 | C12 | 112.2° | 111.4° |
| N5 | FE1 | N3 | C17 | 12.0° | 18.6° |
| N5 | FE1 | N3 | C23 | 137.7° | 106.8° |
| N5 | FE1 | N3 | C11 | 110.3° | 128.5° |
| FE1 | N5 | C22 | H29 | 3.1° | 0.8° |
| N3 | FE1 | N5 | C18 | 6.3° | 9.2° |
| FE1 | N3 | C17 | C18 | 18.3° | 24.6° |
| FE1 | N3 | C23 | C24 | 22.5° | 175.3° |
| N3 | FE1 | N4 | C16 | 150.5° | 168.1° |
| N3 | FE1 | N4 | C12 | 26.3° | 12.2° |
| FE1 | N3 | C17 | C23 | 137.6° | 126.1° |
| FE1 | N3 | C17 | C11 | 97.6° | 100.4° |
| FE1 | N3 | C23 | C11 | 104.1° | 114.5° |
| FE1 | N3 | C11 | C12 | 61.3° | 24.2° |
| FE1 | N3 | C23 | H19 | 98.7° | 55.3° |
| FE1 | N3 | C23 | H20 | 143.6° | 64.7° |
| FE1 | N3 | C11 | H21 | 176.9° | 146.0° |
| FE1 | N3 | C11 | H22 | 60.6° | 97.8° |
| FE1 | N3 | C17 | H23 | 140.3° | 146.5° |
| FE1 | N3 | C17 | H24 | 103.7° | 97.4° |
| N5 | C18 | C19 | C20 | 0.4° | 1.3° |
| N5 | C18 | C19 | C17 | 179.3° | 176.9° |
| N5 | C18 | C17 | N3 | 15.2° | 21.8° |
| N5 | C18 | C17 | H23 | 137.2° | 143.7° |
| N5 | C18 | C17 | H24 | 106.8° | 100.1° |
| C18 | N5 | C22 | H29 | 178.9° | 179.6° |
| N5 | C18 | C19 | H32 | 179.6° | 179.1° |
| C18 | N5 | FE1 | N4 | 86.9° | 89.2° |
| C20 | C19 | C18 | H32 | 180.0° | 179.6° |
| C20 | C19 | C18 | C17 | 178.9° | 175.6° |
| C19 | C20 | C21 | H30 | 179.7° | 179.2° |
| C19 | C18 | C17 | N3 | 164.1° | 161.4° |
| C19 | C18 | C17 | H23 | 42.1° | 39.5° |
| C19 | C18 | C17 | H24 | 73.9° | 76.7° |
| C18 | C19 | C20 | H31 | 179.7° | 179.7° |
| C18 | C17 | N3 | H23 | 122.0° | 121.9° |
| C18 | C17 | N3 | H24 | 122.0° | 121.9° |
| C18 | C17 | N3 | C23 | 155.9° | 101.6° |
| C18 | C17 | N3 | C11 | 79.3° | 124.9° |
| C18 | C17 | H23 | H24 | 113.4° | 116.3° |
| C17 | C18 | C19 | H32 | 1.1° | 4.1° |
| C23 | C24 | N6 | H16 | 119.7° | 120.0° |
| C23 | C24 | N6 | H17 | 119.6° | 120.0° |
| C24 | C23 | N3 | C17 | 145.5° | 68.9° |
| C24 | C23 | N3 | H19 | 121.1° | 120.0° |
| C24 | C23 | N3 | H20 | 121.2° | 120.0° |
| C24 | C23 | N3 | C11 | 81.6° | 60.8° |
| C23 | C24 | N6 | C1 | 86.0° | 180.0° |
| C23 | C24 | H16 | H17 | 121.1° | 119.9° |
| C23 | C24 | N6 | H18 | 94.0° | 0.0° |
| C24 | C23 | H19 | H20 | 116.4° | 119.9° |
| C24 | N6 | C1 | O1 | 30.2° | 0.0° |
| N6 | C24 | C23 | N3 | 147.6° | 180.0° |
| C24 | N6 | C1 | H18 | 180.0° | 180.0° |
| C24 | N6 | C1 | C2 | 175.3° | 180.0° |
| N6 | C24 | H16 | H17 | 121.1° | 120.1° |
| N6 | C24 | C23 | H19 | 91.3° | 60.0° |
| N6 | C24 | C23 | H20 | 26.4° | 60.0° |
| O1 | C1 | N6 | C2 | 154.5° | 180.0° |
| O1 | C1 | C2 | C3 | 25.3° | 0.0° |
| O1 | C1 | C2 | H14 | 95.8° | 120.0° |
| O1 | C1 | C2 | H15 | 146.4° | 120.0° |
| O1 | C1 | N6 | H18 | 149.8° | 179.9° |
| C16 | N4 | C12 | FE1 | 177.4° | 179.8° |
| N4 | C16 | C15 | H25 | 180.0° | 180.0° |
| C16 | N4 | C12 | C11 | 175.5° | 179.2° |
| C16 | N4 | C12 | C13 | 3.9° | 1.7° |
| N4 | C16 | C15 | C14 | 3.6° | 0.0° |
| N4 | C16 | C15 | H26 | 176.5° | 179.9° |
| C12 | N4 | C16 | C15 | 4.8° | 1.1° |
| N4 | C12 | C11 | N3 | 44.9° | 19.1° |
| N4 | C12 | C11 | C13 | 179.4° | 179.0° |
| N4 | C12 | C13 | C14 | 1.7° | 1.3° |
| N4 | C12 | C11 | H21 | 166.8° | 140.9° |
| N4 | C12 | C11 | H22 | 77.0° | 102.9° |
| C12 | N4 | C16 | H25 | 175.1° | 178.9° |
| N4 | C12 | C13 | H28 | 178.3° | 179.0° |
| C17 | N3 | C23 | C11 | 132.9° | 129.8° |
| C17 | N3 | C11 | C12 | 42.9° | 76.9° |
| C17 | N3 | C23 | H19 | 24.4° | 171.0° |
| C17 | N3 | C23 | H20 | 93.3° | 51.0° |
| C17 | N3 | C11 | H21 | 79.0° | 45.0° |
| C17 | N3 | C11 | H22 | 164.8° | 161.2° |
| N3 | C17 | H23 | H24 | 113.4° | 116.3° |
| C17 | N3 | FE1 | N4 | 84.5° | 90.0° |
| C16 | C15 | C14 | H26 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.4° | 0.4° |
| C16 | C15 | C14 | H27 | 178.6° | 179.6° |
| C15 | C16 | N4 | FE1 | 178.9° | 179.2° |
| C23 | N3 | C11 | C12 | 168.5° | 149.7° |
| N3 | C23 | C24 | H16 | 92.8° | 60.0° |
| N3 | C23 | C24 | H17 | 28.0° | 60.0° |
| N3 | C23 | H19 | H20 | 116.4° | 120.0° |
| C23 | N3 | C11 | H21 | 46.6° | 88.5° |
| C23 | N3 | C11 | H22 | 69.6° | 27.7° |
| C23 | N3 | C17 | H23 | 82.1° | 20.4° |
| C23 | N3 | C17 | H24 | 33.9° | 136.5° |
| C23 | N3 | FE1 | N4 | 149.8° | 144.6° |
| N3 | C11 | C12 | H21 | 121.9° | 121.8° |
| N3 | C11 | C12 | H22 | 121.9° | 122.0° |
| N3 | C11 | C12 | C13 | 134.5° | 160.0° |
| C11 | N3 | C23 | H19 | 157.2° | 59.2° |
| C11 | N3 | C23 | H20 | 39.5° | 179.2° |
| N3 | C11 | H21 | H22 | 113.9° | 116.4° |
| C11 | N3 | C17 | H23 | 42.7° | 113.1° |
| C11 | N3 | C17 | H24 | 158.7° | 3.0° |
| C11 | N3 | FE1 | N4 | 37.8° | 19.9° |
| N6 | C1 | C2 | C3 | 136.5° | 180.0° |
| N6 | C1 | C2 | H14 | 102.4° | 60.0° |
| N6 | C1 | C2 | H15 | 15.4° | 60.0° |
| C1 | N6 | C24 | H16 | 33.7° | 60.0° |
| C1 | N6 | C24 | H17 | 154.4° | 60.0° |
| C1 | C2 | C3 | H14 | 121.1° | 120.0° |
| C1 | C2 | C3 | H15 | 121.1° | 120.0° |
| C1 | C2 | C3 | C4 | 75.8° | 180.0° |
| C1 | C2 | C3 | H12 | 44.1° | 60.0° |
| C1 | C2 | C3 | H13 | 164.2° | 60.0° |
| C1 | C2 | H14 | H15 | 116.5° | 120.0° |
| C2 | C1 | N6 | H18 | 4.7° | 0.0° |
| C11 | C12 | C13 | C14 | 177.7° | 179.7° |
| C12 | C11 | H21 | H22 | 113.9° | 116.3° |
| C11 | C12 | C13 | H28 | 2.3° | 0.1° |
| C11 | C12 | N4 | FE1 | 1.9° | 0.5° |
| C2 | C3 | C4 | H12 | 119.9° | 120.0° |
| C2 | C3 | C4 | H13 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 174.5° | 179.9° |
| C2 | C3 | C4 | H10 | 64.9° | 60.0° |
| C2 | C3 | C4 | H11 | 53.8° | 60.0° |
| C2 | C3 | H12 | H13 | 120.2° | 120.0° |
| C3 | C2 | H14 | H15 | 116.5° | 120.1° |
| C12 | C13 | C14 | C15 | 0.4° | 0.3° |
| C12 | C13 | C14 | H28 | 180.0° | 179.7° |
| C13 | C12 | C11 | H21 | 12.6° | 38.1° |
| C13 | C12 | C11 | H22 | 103.7° | 78.1° |
| C12 | C13 | C14 | H27 | 179.6° | 179.7° |
| C13 | C12 | N4 | FE1 | 178.7° | 178.5° |
| C15 | C14 | C13 | H27 | 180.0° | 180.0° |
| C14 | C15 | C16 | H25 | 176.4° | 180.0° |
| C15 | C14 | C13 | H28 | 179.6° | 180.0° |
| C3 | C4 | C5 | H10 | 120.6° | 120.0° |
| C3 | C4 | C5 | H11 | 120.6° | 119.9° |
| C3 | C4 | C5 | C6 | 176.1° | 180.0° |
| C3 | C4 | C5 | H8 | 63.0° | 60.0° |
| C3 | C4 | C5 | H9 | 55.1° | 60.0° |
| C3 | C4 | H10 | H11 | 118.0° | 120.0° |
| C4 | C3 | H12 | H13 | 120.1° | 120.0° |
| C4 | C3 | C2 | H14 | 163.1° | 60.0° |
| C4 | C3 | C2 | H15 | 45.3° | 60.0° |
| C13 | C14 | C15 | H26 | 178.6° | 179.6° |
| C4 | C5 | C6 | H8 | 120.9° | 120.1° |
| C4 | C5 | C6 | H9 | 121.0° | 119.9° |
| C4 | C5 | C6 | C10 | 170.0° | 175.0° |
| C4 | C5 | C6 | S1 | 69.7° | 71.7° |
| C4 | C5 | C6 | H7 | 49.2° | 51.6° |
| C4 | C5 | H8 | H9 | 117.1° | 120.0° |
| C5 | C4 | H10 | H11 | 118.1° | 120.0° |
| C5 | C4 | C3 | H12 | 54.5° | 60.0° |
| C5 | C4 | C3 | H13 | 65.6° | 60.0° |
| C5 | C6 | C10 | S1 | 127.2° | 118.2° |
| C5 | C6 | C10 | H7 | 120.9° | 123.4° |
| C5 | C6 | S1 | H7 | 120.2° | 123.3° |
| C5 | C6 | C10 | N2 | 46.5° | 28.0° |
| C5 | C6 | C10 | C8 | 162.7° | 142.8° |
| C5 | C6 | S1 | C7 | 171.3° | 153.0° |
| C5 | C6 | C10 | H3 | 77.3° | 93.5° |
| C6 | C5 | H8 | H9 | 117.1° | 120.0° |
| C6 | C5 | C4 | H10 | 55.4° | 59.9° |
| C6 | C5 | C4 | H11 | 63.3° | 60.1° |
| C10 | C6 | S1 | H7 | 113.7° | 118.4° |
| C6 | C10 | N2 | C8 | 118.3° | 120.1° |
| C6 | C10 | N2 | H3 | 122.9° | 121.6° |
| C6 | C10 | N2 | C9 | 123.1° | 120.2° |
| C6 | C10 | C8 | H3 | 120.0° | 123.7° |
| C10 | C6 | S1 | C7 | 45.2° | 34.7° |
| C6 | C10 | C8 | C7 | 5.6° | 0.0° |
| C6 | C10 | C8 | N1 | 121.0° | 118.0° |
| C6 | C10 | N2 | H2 | 56.9° | 59.9° |
| C6 | C10 | C8 | H4 | 117.4° | 123.5° |
| C10 | C6 | C5 | H8 | 49.1° | 64.9° |
| C10 | C6 | C5 | H9 | 69.0° | 55.1° |
| S1 | C6 | C10 | N2 | 80.7° | 90.2° |
| S1 | C6 | C10 | C8 | 35.5° | 24.7° |
| C6 | S1 | C7 | C8 | 43.1° | 34.7° |
| S1 | C6 | C10 | H3 | 155.5° | 148.3° |
| C6 | S1 | C7 | H5 | 162.7° | 83.6° |
| C6 | S1 | C7 | H6 | 76.4° | 153.1° |
| S1 | C6 | C5 | H8 | 169.4° | 48.4° |
| S1 | C6 | C5 | H9 | 51.3° | 168.4° |
| C10 | N2 | C9 | H2 | 180.0° | 179.9° |
| N2 | C10 | C8 | H3 | 119.8° | 118.3° |
| C10 | N2 | C9 | O2 | 167.0° | 180.0° |
| C10 | N2 | C9 | N1 | 7.6° | 0.3° |
| N2 | C10 | C8 | C7 | 114.6° | 118.0° |
| N2 | C10 | C8 | N1 | 0.8° | 0.0° |
| N2 | C10 | C8 | H4 | 122.4° | 118.5° |
| N2 | C10 | C6 | H7 | 167.4° | 151.4° |
| C9 | N2 | C10 | C8 | 4.8° | 0.2° |
| N2 | C9 | O2 | N1 | 157.3° | 179.7° |
| N2 | C9 | N1 | C8 | 7.1° | 0.2° |
| N2 | C9 | N1 | H1 | 172.9° | 179.7° |
| C9 | N2 | C10 | H3 | 114.0° | 118.2° |
| C10 | C8 | C7 | S1 | 27.0° | 24.6° |
| C10 | C8 | N1 | C9 | 3.6° | 0.1° |
| C10 | C8 | C7 | N1 | 110.4° | 114.9° |
| C10 | C8 | C7 | H4 | 123.0° | 123.5° |
| C10 | C8 | N1 | H4 | 120.8° | 118.4° |
| C10 | C8 | N1 | H1 | 176.4° | 179.9° |
| C8 | C10 | N2 | H2 | 175.2° | 180.0° |
| C10 | C8 | C7 | H5 | 146.6° | 93.7° |
| C10 | C8 | C7 | H6 | 92.5° | 143.1° |
| C8 | C10 | C6 | H7 | 76.4° | 93.7° |
| S1 | C7 | C8 | H5 | 119.5° | 118.3° |
| S1 | C7 | C8 | H6 | 119.5° | 118.5° |
| S1 | C7 | C8 | N1 | 83.3° | 90.3° |
| S1 | C7 | C8 | H4 | 150.0° | 148.1° |
| S1 | C7 | H5 | H6 | 121.3° | 123.4° |
| C7 | S1 | C6 | H7 | 68.5° | 83.7° |
| O2 | C9 | N1 | C8 | 166.1° | 180.0° |
| O2 | C9 | N1 | H1 | 14.0° | 0.0° |
| O2 | C9 | N2 | H2 | 13.0° | 0.1° |
| C9 | N1 | C8 | C7 | 116.7° | 120.3° |
| C9 | N1 | C8 | H1 | 180.0° | 180.0° |
| N1 | C9 | N2 | H2 | 172.4° | 179.9° |
| C9 | N1 | C8 | H4 | 117.3° | 118.2° |
| C7 | C8 | N1 | H4 | 126.0° | 121.4° |
| C7 | C8 | N1 | H1 | 63.3° | 59.7° |
| C7 | C8 | C10 | H3 | 125.6° | 123.7° |
| C8 | C7 | H5 | H6 | 121.4° | 123.3° |
| N1 | C8 | C10 | H3 | 119.0° | 118.2° |
| N1 | C8 | C7 | H5 | 36.2° | 151.4° |
| N1 | C8 | C7 | H6 | 157.1° | 28.2° |
| H1 | N1 | C8 | H4 | 62.7° | 61.8° |
| H2 | N2 | C10 | H3 | 66.1° | 61.7° |
| H3 | C10 | C8 | H4 | 2.5° | 0.3° |
| H3 | C10 | C6 | H7 | 43.6° | 30.0° |
| H4 | C8 | C7 | H5 | 90.4° | 29.8° |
| H4 | C8 | C7 | H6 | 30.5° | 93.4° |
| H7 | C6 | C5 | H8 | 71.7° | 171.6° |
| H7 | C6 | C5 | H9 | 170.2° | 68.4° |
| H8 | C5 | C4 | H10 | 176.4° | 180.0° |
| H8 | C5 | C4 | H11 | 57.6° | 60.0° |
| H9 | C5 | C4 | H10 | 65.5° | 60.0° |
| H9 | C5 | C4 | H11 | 175.8° | 180.0° |
| H10 | C4 | C3 | H12 | 175.2° | NaN° |
| H10 | C4 | C3 | H13 | 55.1° | 60.0° |
| H11 | C4 | C3 | H12 | 66.1° | 60.0° |
| H11 | C4 | C3 | H13 | 173.8° | 180.0° |
| H12 | C3 | C2 | H14 | 77.0° | 180.0° |
| H12 | C3 | C2 | H15 | 165.2° | 60.0° |
| H13 | C3 | C2 | H14 | 43.1° | 60.0° |
| H13 | C3 | C2 | H15 | 74.7° | NaN° |
| H16 | C24 | N6 | H18 | 146.3° | 120.0° |
| H16 | C24 | C23 | H19 | 28.4° | 180.0° |
| H16 | C24 | C23 | H20 | 146.1° | 60.0° |
| H17 | C24 | N6 | H18 | 25.6° | 119.9° |
| H17 | C24 | C23 | H19 | 149.1° | 60.1° |
| H17 | C24 | C23 | H20 | 93.2° | 180.0° |
| H25 | C16 | C15 | H26 | 3.6° | 0.0° |
| H25 | C16 | N4 | FE1 | 1.1° | 0.8° |
| H26 | C15 | C14 | H27 | 1.4° | 0.4° |
| H27 | C14 | C13 | H28 | 0.4° | 0.0° |
| H29 | C22 | C21 | H30 | 0.3° | 0.2° |
| H30 | C21 | C20 | H31 | 0.3° | 0.5° |
| H31 | C20 | C19 | H32 | 0.3° | 0.1° |
