O6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C23 | sing | 1.53Å | 1.55Å | |
| O4 | C22 | doub | 1.21Å | 1.24Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.52Å | 1.54Å | |
| C22 | N5 | sing | 1.33Å | 1.32Å | |
| C23 | C26 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| O5 | C26 | doub | 1.21Å | 1.25Å | |
| C19 | N5 | sing | 1.47Å | 1.46Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.55Å | 1.55Å | |
| C26 | N6 | sing | 1.33Å | 1.36Å | |
| N5 | FE1 | sing | 1.85Å | 1.93Å | |
| C29 | C27 | sing | 1.53Å | 1.54Å | |
| O3 | C18 | doub | 1.21Å | 1.20Å | |
| C18 | N4 | sing | 1.34Å | 1.33Å | |
| N6 | C27 | sing | 1.45Å | 1.48Å | |
| N6 | FE1 | sing | 1.87Å | 1.91Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C30 | sing | 1.52Å | 1.55Å | |
| FE1 | N4 | sing | 1.86Å | 1.86Å | |
| FE1 | N7 | sing | 1.84Å | 1.87Å | |
| N4 | C16 | sing | 1.40Å | 1.41Å | |
| N7 | C30 | sing | 1.34Å | 1.36Å | |
| N7 | C15 | sing | 1.40Å | 1.38Å | |
| C30 | O6 | doub | 1.21Å | 1.21Å | |
| C16 | C15 | doub | 1.43Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.49Å | |
| N3 | C11 | sing | 1.35Å | 1.41Å | |
| N3 | C10 | sing | 1.47Å | 1.42Å | |
| C11 | O2 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C2 | sing | 1.54Å | 1.56Å | |
| C5 | S1 | sing | 1.84Å | 1.80Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C1 | sing | 1.34Å | 1.38Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| S1 | C4 | sing | 1.84Å | 1.77Å | |
| C1 | O1 | doub | 1.22Å | 1.27Å | |
| C1 | N2 | sing | 1.34Å | 1.32Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C23 | C22 | 107.9° | 107.3° |
| C25 | C23 | C26 | 107.6° | 107.3° |
| C25 | C23 | C24 | 109.9° | 107.0° |
| C23 | C25 | H12 | 109.5° | 109.5° |
| C23 | C25 | H13 | 109.5° | 109.5° |
| C23 | C25 | H14 | 109.5° | 109.5° |
| O4 | C22 | C23 | 117.3° | 121.2° |
| O4 | C22 | N5 | 120.8° | 121.2° |
| C20 | C19 | N5 | 109.8° | 109.5° |
| C20 | C19 | C21 | 113.8° | 109.5° |
| C20 | C19 | C18 | 107.9° | 109.4° |
| C19 | C20 | H2 | 109.5° | 109.5° |
| C19 | C20 | H3 | 109.4° | 109.5° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C23 | C22 | N5 | 116.1° | 117.6° |
| C22 | C23 | C26 | 121.7° | 120.0° |
| C22 | C23 | C24 | 105.1° | 107.3° |
| C22 | N5 | C19 | 116.7° | 137.4° |
| C22 | N5 | FE1 | 124.4° | 119.9° |
| C26 | C23 | C24 | 104.4° | 107.3° |
| C23 | C26 | O5 | 113.8° | 120.2° |
| C23 | C26 | N6 | 117.9° | 119.6° |
| C23 | C24 | H8 | 109.5° | 109.5° |
| C23 | C24 | H9 | 109.5° | 109.5° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| O5 | C26 | N6 | 122.3° | 120.2° |
| N5 | C19 | C21 | 115.7° | 109.5° |
| N5 | C19 | C18 | 107.1° | 109.5° |
| C19 | N5 | FE1 | 114.5° | 98.6° |
| C21 | C19 | C18 | 101.7° | 109.5° |
| C19 | C21 | H5 | 109.5° | 109.5° |
| C19 | C21 | H6 | 109.5° | 109.4° |
| C19 | C21 | H7 | 109.5° | 109.5° |
| C19 | C18 | O3 | 120.6° | 124.2° |
| C19 | C18 | N4 | 114.9° | 111.5° |
| C26 | N6 | C27 | 116.6° | 140.4° |
| C26 | N6 | FE1 | 124.7° | 117.3° |
| N5 | FE1 | N6 | 93.4° | 100.3° |
| N5 | FE1 | N4 | 84.5° | 98.7° |
| N5 | FE1 | N7 | 141.6° | 135.7° |
| C29 | C27 | N6 | 110.7° | 108.2° |
| C29 | C27 | C28 | 111.6° | 108.1° |
| C29 | C27 | C30 | 107.6° | 108.2° |
| C27 | C29 | H16 | 109.5° | 109.5° |
| C27 | C29 | H17 | 109.5° | 109.5° |
| C27 | C29 | H18 | 109.5° | 109.5° |
| O3 | C18 | N4 | 120.6° | 124.2° |
| C18 | N4 | FE1 | 117.9° | 99.6° |
| C18 | N4 | C16 | 122.4° | 154.2° |
| C27 | N6 | FE1 | 116.3° | 99.1° |
| N6 | C27 | C28 | 114.0° | 108.3° |
| N6 | C27 | C30 | 106.5° | 115.5° |
| N6 | FE1 | N4 | 150.5° | 129.8° |
| N6 | FE1 | N7 | 83.5° | 99.1° |
| C28 | C27 | C30 | 106.0° | 108.3° |
| C27 | C28 | H19 | 109.5° | 109.5° |
| C27 | C28 | H20 | 109.5° | 109.5° |
| C27 | C28 | H21 | 109.4° | 109.4° |
| C27 | C30 | N7 | 111.8° | 115.5° |
| C27 | C30 | O6 | 123.7° | 122.3° |
| N4 | FE1 | N7 | 80.2° | 98.8° |
| FE1 | N4 | C16 | 117.5° | 99.7° |
| FE1 | N7 | C30 | 118.1° | 101.4° |
| FE1 | N7 | C15 | 118.4° | 100.8° |
| N4 | C16 | C15 | 110.1° | 118.7° |
| N4 | C16 | C17 | 131.4° | 122.2° |
| C30 | N7 | C15 | 123.3° | 150.2° |
| N7 | C30 | O6 | 122.5° | 122.3° |
| N7 | C15 | C16 | 110.9° | 117.5° |
| N7 | C15 | C14 | 128.1° | 121.6° |
| C15 | C16 | C17 | 118.5° | 119.0° |
| C16 | C15 | C14 | 121.0° | 119.9° |
| C16 | C17 | C12 | 119.5° | 118.9° |
| C16 | C17 | H15 | 120.3° | 120.5° |
| C15 | C14 | C13 | 119.2° | 119.4° |
| C15 | C14 | H11 | 120.4° | 120.3° |
| C17 | C12 | C13 | 120.8° | 120.9° |
| C17 | C12 | C11 | 121.6° | 119.5° |
| C12 | C17 | H15 | 120.3° | 120.5° |
| C14 | C13 | C12 | 121.0° | 120.6° |
| C14 | C13 | H1 | 119.5° | 119.7° |
| C13 | C14 | H11 | 120.4° | 120.3° |
| C13 | C12 | C11 | 117.5° | 119.5° |
| C12 | C13 | H1 | 119.5° | 119.7° |
| C12 | C11 | N3 | 114.2° | 120.0° |
| C12 | C11 | O2 | 121.2° | 120.0° |
| C11 | N3 | C10 | 115.4° | 120.0° |
| N3 | C11 | O2 | 122.4° | 120.0° |
| C11 | N3 | H22 | 122.3° | 120.1° |
| N3 | C10 | C9 | 96.9° | 109.4° |
| C10 | N3 | H22 | 122.3° | 120.0° |
| N3 | C10 | H23 | 112.5° | 109.5° |
| N3 | C10 | H24 | 112.5° | 109.5° |
| C10 | C9 | C8 | 107.8° | 109.4° |
| C9 | C10 | H23 | 112.5° | 109.5° |
| C9 | C10 | H24 | 112.5° | 109.4° |
| C10 | C9 | H25 | 109.9° | 109.5° |
| C10 | C9 | H26 | 109.9° | 109.4° |
| C9 | C8 | C6 | 114.0° | 109.4° |
| C8 | C9 | H25 | 109.9° | 109.5° |
| C8 | C9 | H26 | 109.9° | 109.5° |
| C9 | C8 | H27 | 108.3° | 109.5° |
| C9 | C8 | H28 | 108.4° | 109.5° |
| C8 | C6 | C5 | 118.9° | 109.4° |
| C6 | C8 | H27 | 108.3° | 109.5° |
| C6 | C8 | H28 | 108.3° | 109.5° |
| C8 | C6 | H29 | 107.0° | 109.5° |
| C8 | C6 | H30 | 107.0° | 109.5° |
| C6 | C5 | C2 | 119.5° | 110.7° |
| C6 | C5 | S1 | 110.6° | 110.8° |
| C5 | C6 | H29 | 107.1° | 109.4° |
| C5 | C6 | H30 | 107.1° | 109.5° |
| C6 | C5 | H31 | 108.2° | 110.7° |
| C2 | C5 | S1 | 104.8° | 102.7° |
| C5 | C2 | N1 | 111.3° | 109.3° |
| C5 | C2 | C3 | 108.4° | 112.4° |
| C2 | C5 | H31 | 107.6° | 110.8° |
| C5 | C2 | H32 | 110.6° | 110.2° |
| C5 | S1 | C4 | 89.2° | 94.8° |
| S1 | C5 | H31 | 105.3° | 111.0° |
| C2 | N1 | C1 | 111.4° | 109.0° |
| N1 | C2 | C3 | 103.1° | 104.0° |
| N1 | C2 | H32 | 112.1° | 110.6° |
| C2 | N1 | H33 | 124.3° | 125.5° |
| N1 | C1 | O1 | 127.0° | 123.0° |
| N1 | C1 | N2 | 109.3° | 113.9° |
| C1 | N1 | H33 | 124.3° | 125.5° |
| C2 | C3 | C4 | 108.8° | 112.4° |
| C2 | C3 | N2 | 104.0° | 104.0° |
| C3 | C2 | H32 | 111.2° | 110.2° |
| C2 | C3 | H35 | 111.7° | 110.3° |
| S1 | C4 | C3 | 108.2° | 102.7° |
| S1 | C4 | H36 | 109.8° | 110.8° |
| S1 | C4 | H37 | 109.8° | 110.9° |
| O1 | C1 | N2 | 123.7° | 123.0° |
| C1 | N2 | C3 | 112.2° | 109.0° |
| C1 | N2 | H34 | 123.9° | 125.5° |
| C4 | C3 | N2 | 107.6° | 109.2° |
| C4 | C3 | H35 | 111.7° | 110.3° |
| C3 | C4 | H36 | 109.8° | 110.8° |
| C3 | C4 | H37 | 109.8° | 110.8° |
| C3 | N2 | H34 | 123.9° | 125.4° |
| N2 | C3 | H35 | 112.6° | 110.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.5° | 109.4° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H10 | 109.4° | 109.4° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H12 | C25 | H14 | 109.5° | 109.4° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.4° | 109.4° |
| H16 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.4° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.4° |
| H23 | C10 | H24 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.5° |
| H29 | C6 | H30 | 109.5° | 109.5° |
| H36 | C4 | H37 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C23 | C22 | O4 | 12.4° | 25.9° |
| C25 | C23 | C22 | C26 | 124.9° | 122.7° |
| C25 | C23 | C22 | C24 | 117.2° | 114.7° |
| C25 | C23 | C22 | N5 | 140.9° | 154.1° |
| C25 | C23 | C26 | C24 | 116.7° | 114.7° |
| C25 | C23 | C26 | O5 | 40.2° | 76.1° |
| C25 | C23 | C26 | N6 | 166.3° | 103.8° |
| C25 | C23 | C24 | H8 | 180.0° | 54.9° |
| C25 | C23 | C24 | H9 | 60.0° | 65.1° |
| C25 | C23 | C24 | H10 | 60.0° | 174.9° |
| C23 | C25 | H12 | H13 | 120.0° | 120.0° |
| C23 | C25 | H12 | H14 | 120.0° | 120.0° |
| C23 | C25 | H13 | H14 | 120.0° | 120.0° |
| O4 | C22 | C23 | N5 | 153.2° | 180.0° |
| O4 | C22 | C23 | C26 | 137.2° | 148.6° |
| O4 | C22 | C23 | C24 | 104.9° | 88.8° |
| O4 | C22 | N5 | C19 | 21.1° | 74.4° |
| O4 | C22 | N5 | FE1 | 176.6° | 134.3° |
| C20 | C19 | N5 | C22 | 73.9° | 117.7° |
| C20 | C19 | N5 | C21 | 130.5° | 120.0° |
| C20 | C19 | N5 | C18 | 116.9° | 120.0° |
| C20 | C19 | C21 | C18 | 115.8° | 119.9° |
| C20 | C19 | N5 | FE1 | 128.2° | 87.1° |
| C20 | C19 | C18 | O3 | 31.2° | 115.1° |
| C20 | C19 | C18 | N4 | 126.7° | 65.0° |
| C19 | C20 | H2 | H3 | 120.0° | 120.0° |
| C19 | C20 | H2 | H4 | 120.0° | 120.0° |
| C19 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C19 | C21 | H5 | 180.0° | 59.3° |
| C20 | C19 | C21 | H6 | 60.0° | 179.3° |
| C20 | C19 | C21 | H7 | 60.0° | 60.7° |
| C22 | C23 | C26 | C24 | 118.3° | 122.7° |
| C22 | C23 | C26 | O5 | 165.3° | 161.2° |
| C23 | C22 | N5 | C19 | 173.4° | 105.6° |
| C22 | C23 | C26 | N6 | 41.3° | 18.8° |
| C23 | C22 | N5 | FE1 | 31.2° | 45.8° |
| C22 | C23 | C24 | H8 | 64.1° | 169.8° |
| C22 | C23 | C24 | H9 | 175.9° | 49.8° |
| C22 | C23 | C24 | H10 | 55.9° | 70.2° |
| C22 | C23 | C25 | H12 | 180.0° | 70.2° |
| C22 | C23 | C25 | H13 | 60.0° | 49.8° |
| C22 | C23 | C25 | H14 | 60.0° | 169.8° |
| N5 | C22 | C23 | C26 | 16.0° | 31.5° |
| N5 | C22 | C23 | C24 | 101.9° | 91.2° |
| C22 | N5 | C19 | FE1 | 157.9° | 155.1° |
| C22 | N5 | C19 | C21 | 56.6° | 2.3° |
| C22 | N5 | C19 | C18 | 169.1° | 122.3° |
| C22 | N5 | FE1 | N6 | 44.7° | 17.8° |
| C22 | N5 | FE1 | N4 | 164.8° | 151.1° |
| C22 | N5 | FE1 | N7 | 128.6° | 96.8° |
| C23 | C26 | O5 | N6 | 152.1° | 180.0° |
| C23 | C26 | N6 | C27 | 178.3° | 108.8° |
| C23 | C26 | N6 | FE1 | 16.5° | 46.1° |
| C26 | C23 | C24 | H8 | 64.9° | 60.0° |
| C26 | C23 | C24 | H9 | 55.1° | 180.0° |
| C26 | C23 | C24 | H10 | 175.1° | 60.0° |
| C26 | C23 | C25 | H12 | 47.1° | 60.0° |
| C26 | C23 | C25 | H13 | 72.9° | 180.0° |
| C26 | C23 | C25 | H14 | 167.1° | 60.0° |
| C24 | C23 | C26 | O5 | 76.5° | 38.6° |
| C24 | C23 | C26 | N6 | 77.0° | 141.5° |
| C23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C23 | C24 | H8 | H10 | 120.0° | 120.0° |
| C23 | C24 | H9 | H10 | 120.0° | 120.0° |
| C24 | C23 | C25 | H12 | 65.9° | 174.9° |
| C24 | C23 | C25 | H13 | 174.1° | 65.1° |
| C24 | C23 | C25 | H14 | 54.1° | 54.9° |
| O5 | C26 | N6 | C27 | 30.6° | 71.1° |
| O5 | C26 | N6 | FE1 | 167.6° | 134.0° |
| N5 | C19 | C21 | C18 | 115.6° | 120.0° |
| N5 | C19 | C18 | O3 | 149.3° | 124.9° |
| N5 | C19 | C18 | N4 | 8.5° | 55.0° |
| C19 | N5 | FE1 | N6 | 159.3° | 143.0° |
| C19 | N5 | FE1 | N4 | 8.9° | 9.7° |
| C19 | N5 | FE1 | N7 | 75.4° | 102.4° |
| N5 | C19 | C20 | H2 | 180.0° | 60.0° |
| N5 | C19 | C20 | H3 | 60.0° | 180.0° |
| N5 | C19 | C20 | H4 | 60.0° | 60.0° |
| N5 | C19 | C21 | H5 | 51.4° | 179.3° |
| N5 | C19 | C21 | H6 | 68.6° | 60.7° |
| N5 | C19 | C21 | H7 | 171.4° | 59.3° |
| C21 | C19 | N5 | FE1 | 101.3° | 152.9° |
| C21 | C19 | C18 | O3 | 88.8° | 4.8° |
| C21 | C19 | C18 | N4 | 113.3° | 175.1° |
| C21 | C19 | C20 | H2 | 48.4° | 180.0° |
| C21 | C19 | C20 | H3 | 71.6° | 60.0° |
| C21 | C19 | C20 | H4 | 168.5° | 60.0° |
| C19 | C21 | H5 | H6 | 120.0° | 120.0° |
| C19 | C21 | H5 | H7 | 120.0° | 120.1° |
| C19 | C21 | H6 | H7 | 120.0° | 120.0° |
| C18 | C19 | N5 | FE1 | 11.2° | 32.8° |
| C19 | C18 | O3 | N4 | 156.6° | 179.9° |
| C19 | C18 | N4 | FE1 | 2.0° | 40.9° |
| C19 | C18 | N4 | C16 | 164.6° | 97.1° |
| C18 | C19 | C20 | H2 | 63.6° | 60.0° |
| C18 | C19 | C20 | H3 | 176.4° | 60.0° |
| C18 | C19 | C20 | H4 | 56.4° | 180.0° |
| C18 | C19 | C21 | H5 | 64.2° | 60.6° |
| C18 | C19 | C21 | H6 | 175.8° | 59.4° |
| C18 | C19 | C21 | H7 | 55.8° | 179.4° |
| C26 | N6 | FE1 | N5 | 18.0° | 28.2° |
| C26 | N6 | C27 | C29 | 54.5° | 23.3° |
| C26 | N6 | C27 | FE1 | 163.4° | 157.6° |
| C26 | N6 | C27 | C28 | 72.3° | 93.7° |
| C26 | N6 | C27 | C30 | 171.2° | 144.7° |
| C26 | N6 | FE1 | N4 | 102.8° | 82.4° |
| C26 | N6 | FE1 | N7 | 159.5° | 168.1° |
| N5 | FE1 | N4 | C18 | 3.7° | 18.3° |
| N5 | FE1 | N6 | C27 | 143.9° | 136.0° |
| N5 | FE1 | N6 | N4 | 84.9° | 110.5° |
| N5 | FE1 | N6 | N7 | 141.6° | 140.0° |
| N5 | FE1 | N4 | N7 | 144.7° | 139.1° |
| N5 | FE1 | N4 | C16 | 159.8° | 144.5° |
| N5 | FE1 | N7 | C30 | 101.7° | 94.3° |
| N5 | FE1 | N7 | C15 | 83.8° | 105.7° |
| C29 | C27 | N6 | C28 | 126.8° | 117.0° |
| C29 | C27 | N6 | C30 | 116.7° | 121.4° |
| C29 | C27 | N6 | FE1 | 108.9° | 134.2° |
| C29 | C27 | C28 | C30 | 116.9° | 117.0° |
| C29 | C27 | C30 | N7 | 100.6° | 154.6° |
| C29 | C27 | C30 | O6 | 63.9° | 25.4° |
| C27 | C29 | H16 | H17 | 120.0° | 120.0° |
| C27 | C29 | H16 | H18 | 120.0° | 120.0° |
| C27 | C29 | H17 | H18 | 120.0° | 120.0° |
| C29 | C27 | C28 | H19 | 180.0° | 177.1° |
| C29 | C27 | C28 | H20 | 60.0° | 62.9° |
| C29 | C27 | C28 | H21 | 60.0° | 57.0° |
| O3 | C18 | N4 | FE1 | 155.9° | 139.0° |
| O3 | C18 | N4 | C16 | 6.7° | 83.0° |
| C18 | N4 | FE1 | N6 | 90.9° | 92.9° |
| C18 | N4 | FE1 | C16 | 163.5° | 162.8° |
| C18 | N4 | FE1 | N7 | 148.4° | 157.4° |
| C18 | N4 | C16 | C15 | 150.7° | 120.9° |
| C18 | N4 | C16 | C17 | 28.4° | 55.8° |
| N6 | C27 | C28 | C30 | 116.8° | 125.9° |
| C27 | N6 | FE1 | N4 | 59.0° | 113.5° |
| C27 | N6 | FE1 | N7 | 2.3° | 4.0° |
| N6 | C27 | C30 | N7 | 18.2° | 33.2° |
| N6 | C27 | C30 | O6 | 177.4° | 146.9° |
| N6 | C27 | C29 | H16 | 180.0° | 60.0° |
| N6 | C27 | C29 | H17 | 60.0° | 180.0° |
| N6 | C27 | C29 | H18 | 60.0° | 60.0° |
| N6 | C27 | C28 | H19 | 53.7° | 60.0° |
| N6 | C27 | C28 | H20 | 173.7° | 180.0° |
| N6 | C27 | C28 | H21 | 66.3° | 60.0° |
| FE1 | N6 | C27 | C28 | 124.3° | 108.7° |
| FE1 | N6 | C27 | C30 | 7.8° | 12.8° |
| N6 | FE1 | N4 | N7 | 57.4° | 109.6° |
| N6 | FE1 | N4 | C16 | 72.5° | 104.3° |
| N6 | FE1 | N7 | C30 | 14.4° | 20.8° |
| N6 | FE1 | N7 | C15 | 171.1° | 139.3° |
| C28 | C27 | C30 | N7 | 139.9° | 88.4° |
| C28 | C27 | C30 | O6 | 55.6° | 91.5° |
| C28 | C27 | C29 | H16 | 51.9° | 57.1° |
| C28 | C27 | C29 | H17 | 171.9° | 62.9° |
| C28 | C27 | C29 | H18 | 68.1° | 177.1° |
| C27 | C28 | H19 | H20 | 120.0° | 120.0° |
| C27 | C28 | H19 | H21 | 120.0° | 120.0° |
| C27 | C28 | H20 | H21 | 120.0° | 119.9° |
| C27 | C30 | N7 | FE1 | 22.2° | 31.6° |
| C27 | C30 | N7 | O6 | 164.7° | 180.0° |
| C27 | C30 | N7 | C15 | 163.5° | 106.0° |
| C30 | C27 | C29 | H16 | 64.0° | 174.2° |
| C30 | C27 | C29 | H17 | 56.0° | 54.2° |
| C30 | C27 | C29 | H18 | 176.0° | 65.8° |
| C30 | C27 | C28 | H19 | 63.1° | 65.9° |
| C30 | C27 | C28 | H20 | 56.9° | 54.1° |
| C30 | C27 | C28 | H21 | 176.9° | 174.1° |
| N4 | FE1 | N7 | C30 | 169.7° | 153.7° |
| N4 | FE1 | N7 | C15 | 15.8° | 6.4° |
| FE1 | N4 | C16 | C15 | 12.0° | 17.1° |
| FE1 | N4 | C16 | C17 | 168.9° | 166.2° |
| N7 | FE1 | N4 | C16 | 15.1° | 5.4° |
| FE1 | N7 | C30 | C15 | 174.3° | 137.6° |
| FE1 | N7 | C30 | O6 | 173.1° | 148.4° |
| FE1 | N7 | C15 | C16 | 13.1° | 17.7° |
| FE1 | N7 | C15 | C14 | 167.3° | 173.2° |
| N4 | C16 | C15 | N7 | 0.7° | 26.1° |
| N4 | C16 | C15 | C17 | 179.3° | 176.8° |
| N4 | C16 | C15 | C14 | 179.7° | 164.6° |
| N4 | C16 | C17 | C12 | 179.9° | 167.2° |
| N4 | C16 | C17 | H15 | 0.1° | 12.5° |
| C30 | N7 | C15 | C16 | 172.6° | 120.1° |
| C30 | N7 | C15 | C14 | 7.0° | 49.1° |
| C15 | N7 | C30 | O6 | 1.2° | 74.0° |
| N7 | C15 | C16 | C14 | 179.6° | 169.3° |
| N7 | C15 | C16 | C17 | 178.6° | 157.2° |
| N7 | C15 | C14 | C13 | 179.7° | 163.0° |
| N7 | C15 | C14 | H11 | 0.3° | 17.0° |
| C15 | C16 | C17 | C12 | 0.8° | 9.4° |
| C16 | C15 | C14 | C13 | 0.2° | 5.9° |
| C16 | C15 | C14 | H11 | 179.8° | 174.2° |
| C15 | C16 | C17 | H15 | 179.2° | 170.8° |
| C17 | C16 | C15 | C14 | 1.0° | 12.1° |
| C16 | C17 | C12 | H15 | 180.0° | 179.8° |
| C16 | C17 | C12 | C13 | 0.5° | 0.6° |
| C16 | C17 | C12 | C11 | 178.3° | 179.4° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.5° | 3.0° |
| C15 | C14 | C13 | H1 | 178.4° | 177.2° |
| C17 | C12 | C13 | C14 | 1.7° | 5.8° |
| C17 | C12 | C13 | C11 | 177.9° | 180.0° |
| C17 | C12 | C11 | N3 | 10.7° | 180.0° |
| C17 | C12 | C11 | O2 | 152.9° | 0.0° |
| C17 | C12 | C13 | H1 | 178.3° | 174.5° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 179.6° | 174.2° |
| C13 | C12 | C11 | N3 | 167.2° | 0.0° |
| C13 | C12 | C11 | O2 | 29.2° | 180.0° |
| C12 | C13 | C14 | H11 | 178.4° | 176.9° |
| C13 | C12 | C17 | H15 | 179.5° | 179.6° |
| C12 | C11 | N3 | O2 | 163.4° | 179.9° |
| C12 | C11 | N3 | C10 | 172.3° | 180.0° |
| C11 | C12 | C13 | H1 | 0.3° | 5.6° |
| C11 | C12 | C17 | H15 | 1.7° | 0.4° |
| C12 | C11 | N3 | H22 | 7.7° | 0.0° |
| C11 | N3 | C10 | H22 | 180.0° | 180.0° |
| C11 | N3 | C10 | C9 | 133.6° | 180.0° |
| C11 | N3 | C10 | H23 | 108.5° | 60.0° |
| C11 | N3 | C10 | H24 | 15.7° | 60.0° |
| C10 | N3 | C11 | O2 | 24.3° | 0.0° |
| N3 | C10 | C9 | H23 | 117.9° | 120.0° |
| N3 | C10 | C9 | H24 | 117.9° | 120.0° |
| N3 | C10 | C9 | C8 | 88.2° | 180.0° |
| N3 | C10 | H23 | H24 | 125.9° | 120.1° |
| N3 | C10 | C9 | H25 | 31.5° | 60.0° |
| N3 | C10 | C9 | H26 | 152.1° | 60.0° |
| O2 | C11 | N3 | H22 | 155.7° | 180.0° |
| C10 | C9 | C8 | H25 | 119.7° | 120.0° |
| C10 | C9 | C8 | H26 | 119.7° | 120.0° |
| C10 | C9 | C8 | C6 | 179.3° | 180.0° |
| C9 | C10 | N3 | H22 | 46.4° | 0.0° |
| C9 | C10 | H23 | H24 | 125.9° | 120.0° |
| C10 | C9 | H25 | H26 | 120.8° | 120.0° |
| C10 | C9 | C8 | H27 | 60.1° | 60.0° |
| C10 | C9 | C8 | H28 | 58.6° | 60.0° |
| C9 | C8 | C6 | H27 | 120.7° | 120.0° |
| C9 | C8 | C6 | H28 | 120.7° | 120.0° |
| C9 | C8 | C6 | C5 | 172.3° | 180.0° |
| C8 | C9 | C10 | H23 | 153.9° | 60.0° |
| C8 | C9 | C10 | H24 | 29.7° | 60.0° |
| C8 | C9 | H25 | H26 | 120.8° | 120.1° |
| C9 | C8 | H27 | H28 | 118.0° | 120.0° |
| C9 | C8 | C6 | H29 | 51.0° | 60.0° |
| C9 | C8 | C6 | H30 | 66.3° | 60.1° |
| C8 | C6 | C5 | H29 | 121.3° | 120.0° |
| C8 | C6 | C5 | H30 | 121.3° | 119.9° |
| C8 | C6 | C5 | C2 | 162.1° | 175.0° |
| C8 | C6 | C5 | S1 | 76.2° | 71.7° |
| C6 | C8 | C9 | H25 | 59.5° | 60.0° |
| C6 | C8 | C9 | H26 | 61.0° | 60.0° |
| C6 | C8 | H27 | H28 | 117.9° | 120.0° |
| C8 | C6 | H29 | H30 | 115.7° | 120.1° |
| C8 | C6 | C5 | H31 | 38.6° | 51.8° |
| C6 | C5 | C2 | S1 | 124.5° | 118.3° |
| C6 | C5 | C2 | H31 | 123.8° | 123.2° |
| C6 | C5 | S1 | H31 | 116.6° | 123.3° |
| C6 | C5 | C2 | N1 | 44.5° | 28.0° |
| C6 | C5 | C2 | C3 | 157.1° | 142.9° |
| C6 | C5 | S1 | C4 | 171.2° | 153.0° |
| C5 | C6 | C8 | H27 | 67.0° | 60.0° |
| C5 | C6 | C8 | H28 | 51.7° | 60.0° |
| C5 | C6 | H29 | H30 | 115.7° | 120.0° |
| C6 | C5 | C2 | H32 | 80.8° | 93.7° |
| C2 | C5 | S1 | H31 | 113.4° | 118.4° |
| C5 | C2 | N1 | C3 | 116.0° | 120.2° |
| C5 | C2 | N1 | H32 | 124.4° | 121.5° |
| C5 | C2 | N1 | C1 | 116.4° | 120.2° |
| C5 | C2 | C3 | H32 | 121.7° | 123.4° |
| C2 | C5 | S1 | C4 | 41.2° | 34.7° |
| C5 | C2 | C3 | C4 | 4.9° | 0.1° |
| C5 | C2 | C3 | N2 | 119.4° | 118.1° |
| C2 | C5 | C6 | H29 | 40.8° | 55.0° |
| C2 | C5 | C6 | H30 | 76.6° | 65.0° |
| C5 | C2 | N1 | H33 | 63.6° | 59.8° |
| C5 | C2 | C3 | H35 | 118.9° | 123.4° |
| S1 | C5 | C2 | N1 | 80.1° | 90.3° |
| S1 | C5 | C2 | C3 | 32.6° | 24.7° |
| C5 | S1 | C4 | C3 | 39.6° | 34.7° |
| S1 | C5 | C6 | H29 | 162.5° | 168.3° |
| S1 | C5 | C6 | H30 | 45.1° | 48.2° |
| S1 | C5 | C2 | H32 | 154.6° | 148.0° |
| C5 | S1 | C4 | H36 | 159.4° | 83.6° |
| C5 | S1 | C4 | H37 | 80.1° | 153.1° |
| C2 | N1 | C1 | H33 | 180.0° | 180.0° |
| N1 | C2 | C3 | H32 | 120.3° | 118.5° |
| C2 | N1 | C1 | O1 | 179.3° | 180.0° |
| C2 | N1 | C1 | N2 | 0.8° | 0.0° |
| N1 | C2 | C3 | C4 | 113.1° | 118.0° |
| N1 | C2 | C3 | N2 | 1.3° | 0.0° |
| N1 | C2 | C5 | H31 | 168.2° | 151.2° |
| N1 | C2 | C3 | H35 | 123.1° | 118.5° |
| C1 | N1 | C2 | C3 | 0.4° | 0.0° |
| N1 | C1 | O1 | N2 | 178.3° | 180.0° |
| N1 | C1 | N2 | C3 | 1.7° | 0.0° |
| C1 | N1 | C2 | H32 | 119.2° | 118.3° |
| N1 | C1 | N2 | H34 | 178.2° | 179.9° |
| C2 | C3 | C4 | S1 | 25.7° | 24.6° |
| C2 | C3 | N2 | C1 | 2.0° | 0.0° |
| C2 | C3 | C4 | N2 | 112.1° | 114.9° |
| C2 | C3 | C4 | H35 | 123.8° | 123.5° |
| C2 | C3 | N2 | H35 | 121.1° | 118.3° |
| C3 | C2 | C5 | H31 | 79.1° | 93.9° |
| C3 | C2 | N1 | H33 | 179.5° | 180.0° |
| C2 | C3 | N2 | H34 | 178.0° | 179.9° |
| C2 | C3 | C4 | H36 | 145.5° | 93.7° |
| C2 | C3 | C4 | H37 | 94.0° | 143.1° |
| S1 | C4 | C3 | H36 | 119.8° | 118.3° |
| S1 | C4 | C3 | H37 | 119.8° | 118.5° |
| S1 | C4 | C3 | N2 | 86.4° | 90.3° |
| C4 | S1 | C5 | H31 | 72.1° | 83.7° |
| S1 | C4 | C3 | H35 | 149.5° | 148.1° |
| S1 | C4 | H36 | H37 | 120.6° | 123.4° |
| O1 | C1 | N2 | C3 | 179.7° | 180.0° |
| O1 | C1 | N1 | H33 | 0.7° | 0.0° |
| O1 | C1 | N2 | H34 | 0.4° | 0.0° |
| C1 | N2 | C3 | C4 | 113.4° | 120.2° |
| C1 | N2 | C3 | H34 | 180.0° | 179.9° |
| N2 | C1 | N1 | H33 | 179.2° | 180.0° |
| C1 | N2 | C3 | H35 | 123.1° | 118.3° |
| C4 | C3 | N2 | H35 | 123.5° | 121.5° |
| C4 | C3 | C2 | H32 | 126.6° | 123.4° |
| C4 | C3 | N2 | H34 | 66.6° | 59.8° |
| C3 | C4 | H36 | H37 | 120.6° | 123.3° |
| N2 | C3 | C2 | H32 | 118.9° | 118.5° |
| N2 | C3 | C4 | H36 | 33.4° | 151.4° |
| N2 | C3 | C4 | H37 | 153.9° | 28.2° |
| H1 | C13 | C14 | H11 | 1.6° | 2.8° |
| H2 | C20 | H3 | H4 | 120.0° | 119.9° |
| H5 | C21 | H6 | H7 | 120.0° | 119.9° |
| H8 | C24 | H9 | H10 | 119.9° | 120.0° |
| H12 | C25 | H13 | H14 | 120.0° | 119.9° |
| H16 | C29 | H17 | H18 | 120.0° | 120.0° |
| H19 | C28 | H20 | H21 | 120.0° | 120.0° |
| H22 | N3 | C10 | H23 | 71.5° | 120.0° |
| H22 | N3 | C10 | H24 | 164.3° | 120.0° |
| H23 | C10 | C9 | H25 | 86.4° | 180.0° |
| H23 | C10 | C9 | H26 | 34.2° | 60.0° |
| H24 | C10 | C9 | H25 | 149.4° | 60.0° |
| H24 | C10 | C9 | H26 | 90.1° | 180.0° |
| H25 | C9 | C8 | H27 | 179.8° | 180.0° |
| H25 | C9 | C8 | H28 | 61.1° | 60.0° |
| H26 | C9 | C8 | H27 | 59.7° | 60.0° |
| H26 | C9 | C8 | H28 | 178.4° | 180.0° |
| H27 | C8 | C6 | H29 | 171.7° | 180.0° |
| H27 | C8 | C6 | H30 | 54.4° | 59.9° |
| H28 | C8 | C6 | H29 | 69.7° | 59.9° |
| H28 | C8 | C6 | H30 | 173.0° | 179.9° |
| H29 | C6 | C5 | H31 | 82.8° | 68.2° |
| H30 | C6 | C5 | H31 | 159.9° | 171.7° |
| H31 | C5 | C2 | H32 | 42.9° | 29.5° |
| H32 | C2 | N1 | H33 | 60.8° | 61.7° |
| H32 | C2 | C3 | H35 | 2.8° | 0.0° |
| H34 | N2 | C3 | H35 | 56.9° | 61.7° |
| H35 | C3 | C4 | H36 | 90.7° | 29.8° |
| H35 | C3 | C4 | H37 | 29.8° | 93.4° |
