XS1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N7 | sing | 1.46Å | 1.46Å | |
| C14 | C19 | sing | 1.52Å | 1.52Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | N8 | sing | 1.34Å | 1.34Å | Aromatic |
| N7 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C2 | sing | 1.41Å | 1.41Å | |
| N8 | C12 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| N1 | C3 | sing | 1.34Å | 1.34Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C3 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | N4 | sing | 1.34Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C6 | sing | 1.50Å | 1.50Å | |
| N4 | N5 | doub | 1.33Å | 1.33Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C15 | O1 | sing | 1.37Å | 1.37Å | |
| C6 | C7 | sing | 1.55Å | 1.55Å | |
| O1 | C10 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C21 | C10 | sing | 1.54Å | 1.54Å | |
| C21 | C9 | sing | 1.54Å | 1.54Å | |
| C10 | C23 | sing | 1.55Å | 1.55Å | |
| C8 | N6 | sing | 1.46Å | 1.46Å | |
| N6 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C22 | sing | 1.54Å | 1.54Å | |
| C30 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.54Å | 1.54Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C21 | H22 | sing | 1.10Å | 1.10Å | |
| C22 | H24 | sing | 1.10Å | 1.10Å | |
| C22 | H23 | sing | 1.10Å | 1.10Å | |
| C23 | H25 | sing | 1.10Å | 1.10Å | |
| C24 | H26 | sing | 1.10Å | 1.10Å | |
| C24 | H27 | sing | 1.10Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| N2 | H3 | sing | 1.00Å | 1.00Å | |
| C6 | H4 | sing | 1.10Å | 1.10Å | |
| N3 | H5 | sing | 1.00Å | 1.00Å | |
| C7 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C8 | H9 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| N6 | H33 | sing | 1.00Å | 1.00Å | |
| C9 | H11 | sing | 1.10Å | 1.10Å | |
| C10 | H12 | sing | 1.10Å | 1.10Å | |
| C14 | H16 | sing | 1.10Å | 1.10Å | |
| C14 | H15 | sing | 1.10Å | 1.10Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C14 | C19 | 113.3° | 113.3° |
| C14 | N7 | N8 | 119.1° | 119.1° |
| C14 | N7 | C11 | 126.8° | 126.8° |
| N7 | C14 | H16 | 108.5° | 108.5° |
| N7 | C14 | H15 | 108.5° | 108.5° |
| C14 | C19 | C18 | 118.7° | 118.7° |
| C14 | C19 | C20 | 123.2° | 123.2° |
| C19 | C14 | H16 | 108.5° | 108.5° |
| C19 | C14 | H15 | 108.5° | 108.5° |
| C19 | C18 | C17 | 120.6° | 120.6° |
| C18 | C19 | C20 | 118.1° | 118.1° |
| C19 | C18 | H19 | 119.7° | 119.7° |
| C18 | C17 | C16 | 120.3° | 120.3° |
| C17 | C18 | H19 | 119.7° | 119.7° |
| C18 | C17 | H18 | 119.8° | 119.9° |
| N8 | N7 | C11 | 113.6° | 113.6° |
| N7 | N8 | C12 | 103.1° | 103.1° |
| N7 | C11 | C13 | 106.2° | 106.2° |
| N7 | C11 | H13 | 126.9° | 126.9° |
| C19 | C20 | C15 | 121.5° | 121.5° |
| C19 | C20 | H20 | 119.2° | 119.2° |
| C17 | C16 | C15 | 120.2° | 120.2° |
| C16 | C17 | H18 | 119.9° | 119.8° |
| C17 | C16 | H17 | 119.9° | 119.9° |
| N2 | C2 | N1 | 118.5° | 118.5° |
| N2 | C2 | C1 | 117.8° | 117.8° |
| C2 | N2 | H2 | 109.5° | 109.5° |
| C2 | N2 | H3 | 109.5° | 109.5° |
| N8 | C12 | C13 | 113.4° | 113.4° |
| N8 | C12 | H14 | 123.3° | 123.3° |
| C2 | N1 | C3 | 113.0° | 113.0° |
| N1 | C2 | C1 | 123.6° | 123.6° |
| N1 | C3 | N3 | 127.4° | 127.4° |
| N1 | C3 | C4 | 128.4° | 128.4° |
| C11 | C13 | C12 | 103.4° | 103.4° |
| C11 | C13 | C6 | 127.7° | 127.7° |
| C13 | C11 | H13 | 126.9° | 126.9° |
| C2 | C1 | C5 | 121.6° | 121.6° |
| C2 | C1 | H1 | 119.2° | 119.2° |
| C3 | N3 | N4 | 111.4° | 111.4° |
| N3 | C3 | C4 | 104.2° | 104.2° |
| C3 | N3 | H5 | 124.3° | 124.3° |
| N3 | N4 | N5 | 107.4° | 107.4° |
| N4 | N3 | H5 | 124.3° | 124.3° |
| C3 | C4 | C5 | 118.9° | 118.9° |
| C3 | C4 | N5 | 108.6° | 108.6° |
| C12 | C13 | C6 | 128.8° | 128.8° |
| C13 | C12 | H14 | 123.3° | 123.3° |
| C1 | C5 | C4 | 114.4° | 114.4° |
| C1 | C5 | C6 | 119.8° | 119.8° |
| C5 | C1 | H1 | 119.2° | 119.2° |
| C13 | C6 | C5 | 106.0° | 106.0° |
| C13 | C6 | C7 | 114.0° | 114.0° |
| C13 | C6 | H4 | 108.4° | 108.4° |
| N4 | N5 | C4 | 108.4° | 108.4° |
| C20 | C15 | C16 | 119.0° | 119.0° |
| C20 | C15 | O1 | 125.1° | 125.1° |
| C15 | C20 | H20 | 119.3° | 119.3° |
| C5 | C4 | N5 | 132.5° | 132.5° |
| C4 | C5 | C6 | 125.8° | 125.8° |
| C16 | C15 | O1 | 115.9° | 115.9° |
| C15 | C16 | H17 | 119.9° | 119.9° |
| C5 | C6 | C7 | 112.4° | 112.4° |
| C5 | C6 | H4 | 108.1° | 108.1° |
| C15 | O1 | C10 | 117.8° | 117.8° |
| C6 | C7 | C8 | 115.0° | 115.0° |
| C7 | C6 | H4 | 107.8° | 107.8° |
| C6 | C7 | H6 | 108.1° | 108.1° |
| C6 | C7 | H7 | 108.1° | 108.1° |
| O1 | C10 | C21 | 113.6° | 113.6° |
| O1 | C10 | C23 | 112.2° | 112.2° |
| O1 | C10 | H12 | 110.5° | 110.5° |
| C7 | C8 | N6 | 112.4° | 112.4° |
| C8 | C7 | H6 | 108.1° | 108.0° |
| C8 | C7 | H7 | 108.1° | 108.1° |
| C7 | C8 | H9 | 108.8° | 108.7° |
| C7 | C8 | H8 | 108.7° | 108.7° |
| C10 | C21 | C9 | 105.4° | 105.4° |
| C21 | C10 | C23 | 102.6° | 102.6° |
| C10 | C21 | H21 | 110.5° | 110.5° |
| C10 | C21 | H22 | 110.5° | 110.5° |
| C21 | C10 | H12 | 108.8° | 108.8° |
| C21 | C9 | N6 | 112.8° | 112.8° |
| C21 | C9 | C22 | 106.1° | 106.1° |
| C9 | C21 | H21 | 110.5° | 110.5° |
| C9 | C21 | H22 | 110.5° | 110.5° |
| C21 | C9 | H11 | 107.2° | 107.2° |
| C10 | C23 | C22 | 101.4° | 101.4° |
| C10 | C23 | C24 | 114.9° | 114.9° |
| C10 | C23 | H25 | 109.4° | 109.4° |
| C23 | C10 | H12 | 108.7° | 108.7° |
| C8 | N6 | C9 | 115.4° | 115.4° |
| N6 | C8 | H9 | 108.7° | 108.8° |
| N6 | C8 | H8 | 108.7° | 108.7° |
| C8 | N6 | H33 | 108.0° | 108.0° |
| N6 | C9 | C22 | 115.2° | 115.2° |
| C9 | N6 | H33 | 108.0° | 108.0° |
| N6 | C9 | H11 | 108.0° | 108.0° |
| C9 | C22 | C23 | 105.2° | 105.2° |
| C9 | C22 | H24 | 110.5° | 110.5° |
| C9 | C22 | H23 | 110.6° | 110.6° |
| C22 | C9 | H11 | 107.1° | 107.1° |
| C29 | C30 | C25 | 120.3° | 120.3° |
| C30 | C29 | C28 | 120.3° | 120.3° |
| C30 | C29 | H31 | 119.9° | 119.8° |
| C29 | C30 | H32 | 119.8° | 119.8° |
| C30 | C25 | C24 | 121.2° | 121.2° |
| C30 | C25 | C26 | 119.0° | 119.0° |
| C25 | C30 | H32 | 119.9° | 119.9° |
| C29 | C28 | C27 | 119.7° | 119.7° |
| C29 | C28 | H30 | 120.2° | 120.2° |
| C28 | C29 | H31 | 119.9° | 119.9° |
| C22 | C23 | C24 | 111.7° | 111.7° |
| C23 | C22 | H24 | 110.5° | 110.5° |
| C23 | C22 | H23 | 110.5° | 110.5° |
| C22 | C23 | H25 | 109.6° | 109.6° |
| C23 | C24 | C25 | 111.5° | 111.5° |
| C24 | C23 | H25 | 109.5° | 109.5° |
| C23 | C24 | H26 | 109.0° | 109.0° |
| C23 | C24 | H27 | 108.9° | 108.9° |
| C24 | C25 | C26 | 119.8° | 119.8° |
| C25 | C24 | H26 | 108.9° | 108.9° |
| C25 | C24 | H27 | 108.9° | 108.9° |
| C25 | C26 | C27 | 120.5° | 120.5° |
| C25 | C26 | H28 | 119.8° | 119.8° |
| C28 | C27 | C26 | 120.2° | 120.2° |
| C28 | C27 | H29 | 119.9° | 119.9° |
| C27 | C28 | H30 | 120.1° | 120.1° |
| C26 | C27 | H29 | 119.9° | 119.9° |
| C27 | C26 | H28 | 119.8° | 119.8° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H24 | C22 | H23 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H2 | N2 | H3 | 109.4° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H9 | C8 | H8 | 109.5° | 109.5° |
| H16 | C14 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C14 | C19 | H16 | 120.6° | 120.6° |
| N7 | C14 | C19 | H15 | 120.6° | 120.6° |
| N7 | C14 | C19 | C18 | 165.7° | 165.7° |
| C14 | N7 | N8 | C11 | 172.3° | 172.3° |
| N7 | C14 | C19 | C20 | 14.5° | 14.5° |
| C14 | N7 | N8 | C12 | 167.9° | 167.9° |
| C14 | N7 | C11 | C13 | 166.0° | 166.0° |
| C14 | N7 | C11 | H13 | 14.0° | 14.0° |
| N7 | C14 | H16 | H15 | 118.3° | 118.3° |
| C14 | C19 | C18 | C20 | 179.9° | 179.9° |
| C14 | C19 | C18 | C17 | 178.4° | 178.4° |
| C19 | C14 | N7 | N8 | 93.5° | 93.5° |
| C19 | C14 | N7 | C11 | 77.7° | 77.7° |
| C14 | C19 | C20 | C15 | 174.3° | 174.3° |
| C14 | C19 | C18 | H19 | 1.6° | 1.6° |
| C14 | C19 | C20 | H20 | 5.8° | 5.8° |
| C19 | C14 | H16 | H15 | 118.2° | 118.2° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.7° | 1.7° |
| C18 | C19 | C20 | C15 | 5.9° | 5.9° |
| C19 | C18 | C17 | H18 | 178.3° | 178.3° |
| C18 | C19 | C20 | H20 | 174.1° | 174.1° |
| C18 | C19 | C14 | H16 | 73.8° | 73.8° |
| C18 | C19 | C14 | H15 | 45.1° | 45.1° |
| C17 | C18 | C19 | C20 | 1.7° | 1.7° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.1° | 1.1° |
| C18 | C17 | C16 | H17 | 178.9° | 178.9° |
| N8 | N7 | C11 | C13 | 5.6° | 5.6° |
| N7 | N8 | C12 | C13 | 1.6° | 1.6° |
| N8 | N7 | C11 | H13 | 174.4° | 174.4° |
| N7 | N8 | C12 | H14 | 178.4° | 178.4° |
| N8 | N7 | C14 | H16 | 27.0° | 27.0° |
| N8 | N7 | C14 | H15 | 145.9° | 145.9° |
| C11 | N7 | N8 | C12 | 4.5° | 4.5° |
| N7 | C11 | C13 | H13 | 180.0° | 180.0° |
| N7 | C11 | C13 | C12 | 4.1° | 4.1° |
| N7 | C11 | C13 | C6 | 172.0° | 172.0° |
| C11 | N7 | C14 | H16 | 161.7° | 161.7° |
| C11 | N7 | C14 | H15 | 42.8° | 42.8° |
| C19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C19 | C20 | C15 | C16 | 6.5° | 6.5° |
| C19 | C20 | C15 | O1 | 172.8° | 172.8° |
| C20 | C19 | C18 | H19 | 178.3° | 178.3° |
| C20 | C19 | C14 | H16 | 106.1° | 106.1° |
| C20 | C19 | C14 | H15 | 135.0° | 135.0° |
| C17 | C16 | C15 | C20 | 2.9° | 2.9° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | O1 | 176.4° | 176.4° |
| C16 | C17 | C18 | H19 | 178.3° | 178.3° |
| N2 | C2 | N1 | C1 | 176.4° | 176.4° |
| N2 | C2 | N1 | C3 | 176.2° | 176.2° |
| N2 | C2 | C1 | C5 | 177.1° | 177.1° |
| N2 | C2 | C1 | H1 | 2.9° | 2.9° |
| C2 | N2 | H2 | H3 | 120.0° | 120.0° |
| N8 | C12 | C13 | C11 | 1.6° | 1.6° |
| N8 | C12 | C13 | H14 | 180.0° | 180.0° |
| N8 | C12 | C13 | C6 | 174.4° | 174.4° |
| C2 | N1 | C3 | N3 | 179.8° | 179.8° |
| C2 | N1 | C3 | C4 | 0.7° | 0.7° |
| N1 | C2 | C1 | C5 | 0.7° | 0.7° |
| N1 | C2 | C1 | H1 | 179.3° | 179.3° |
| N1 | C2 | N2 | H2 | 0.0° | 0.0° |
| N1 | C2 | N2 | H3 | 120.0° | 120.0° |
| C3 | N1 | C2 | C1 | 0.2° | 0.2° |
| N1 | C3 | N3 | C4 | 179.6° | 179.6° |
| N1 | C3 | N3 | N4 | 178.4° | 178.4° |
| N1 | C3 | C4 | C5 | 0.2° | 0.2° |
| N1 | C3 | C4 | N5 | 179.5° | 179.5° |
| N1 | C3 | N3 | H5 | 1.6° | 1.6° |
| C11 | C13 | C12 | C6 | 176.0° | 176.0° |
| C11 | C13 | C6 | C5 | 98.4° | 98.4° |
| C11 | C13 | C6 | C7 | 137.5° | 137.5° |
| C11 | C13 | C12 | H14 | 178.4° | 178.4° |
| C11 | C13 | C6 | H4 | 17.5° | 17.5° |
| C2 | C1 | C5 | H1 | 180.0° | 180.0° |
| C2 | C1 | C5 | C4 | 1.2° | 1.2° |
| C2 | C1 | C5 | C6 | 180.0° | 180.0° |
| C1 | C2 | N2 | H2 | 176.6° | 176.6° |
| C1 | C2 | N2 | H3 | 56.6° | 56.6° |
| C3 | N3 | N4 | H5 | 180.0° | 180.0° |
| C3 | N3 | N4 | N5 | 1.9° | 1.9° |
| N3 | C3 | C4 | C5 | 179.8° | 179.8° |
| N3 | C3 | C4 | N5 | 0.1° | 0.1° |
| N4 | N3 | C3 | C4 | 1.2° | 1.2° |
| N3 | N4 | N5 | C4 | 1.8° | 1.8° |
| C3 | C4 | C5 | C1 | 0.7° | 0.7° |
| C3 | C4 | N5 | N4 | 1.1° | 1.1° |
| C3 | C4 | C5 | N5 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 179.5° | 179.5° |
| C4 | C3 | N3 | H5 | 178.8° | 178.8° |
| C12 | C13 | C6 | C5 | 86.6° | 86.6° |
| C12 | C13 | C6 | C7 | 37.5° | 37.5° |
| C12 | C13 | C11 | H13 | 175.9° | 175.9° |
| C12 | C13 | C6 | H4 | 157.6° | 157.6° |
| C1 | C5 | C6 | C13 | 107.7° | 107.7° |
| C1 | C5 | C4 | C6 | 178.8° | 178.8° |
| C1 | C5 | C4 | N5 | 179.6° | 179.6° |
| C1 | C5 | C6 | C7 | 127.2° | 127.2° |
| C1 | C5 | C6 | H4 | 8.3° | 8.3° |
| C13 | C6 | C5 | C4 | 73.6° | 73.6° |
| C13 | C6 | C5 | C7 | 125.1° | 125.1° |
| C13 | C6 | C5 | H4 | 116.0° | 116.0° |
| C13 | C6 | C7 | H4 | 120.4° | 120.4° |
| C13 | C6 | C7 | C8 | 61.5° | 61.5° |
| C6 | C13 | C11 | H13 | 8.0° | 8.0° |
| C6 | C13 | C12 | H14 | 5.7° | 5.7° |
| C13 | C6 | C7 | H6 | 177.7° | 177.7° |
| C13 | C6 | C7 | H7 | 59.3° | 59.3° |
| N4 | N5 | C4 | C5 | 178.6° | 178.6° |
| N5 | N4 | N3 | H5 | 178.1° | 178.1° |
| C20 | C15 | C16 | O1 | 179.3° | 179.3° |
| C20 | C15 | O1 | C10 | 18.0° | 18.0° |
| C20 | C15 | C16 | H17 | 177.1° | 177.1° |
| C4 | C5 | C6 | C7 | 51.5° | 51.5° |
| C4 | C5 | C1 | H1 | 178.8° | 178.8° |
| C4 | C5 | C6 | H4 | 170.4° | 170.4° |
| N5 | C4 | C5 | C6 | 0.9° | 0.9° |
| C16 | C15 | O1 | C10 | 161.3° | 161.3° |
| C15 | C16 | C17 | H18 | 178.9° | 178.9° |
| C16 | C15 | C20 | H20 | 173.5° | 173.5° |
| C5 | C6 | C7 | H4 | 119.1° | 119.1° |
| C5 | C6 | C7 | C8 | 177.9° | 177.9° |
| C6 | C5 | C1 | H1 | 0.0° | 0.0° |
| C5 | C6 | C7 | H6 | 57.1° | 57.1° |
| C5 | C6 | C7 | H7 | 61.3° | 61.3° |
| C15 | O1 | C10 | C21 | 64.5° | 64.5° |
| C15 | O1 | C10 | C23 | 179.7° | 179.7° |
| O1 | C15 | C16 | H17 | 3.6° | 3.6° |
| O1 | C15 | C20 | H20 | 7.2° | 7.2° |
| C15 | O1 | C10 | H12 | 58.2° | 58.2° |
| C6 | C7 | C8 | H6 | 120.8° | 120.8° |
| C6 | C7 | C8 | H7 | 120.8° | 120.8° |
| C6 | C7 | C8 | N6 | 71.1° | 71.1° |
| C6 | C7 | H6 | H7 | 117.5° | 117.5° |
| C6 | C7 | C8 | H9 | 168.5° | 168.5° |
| C6 | C7 | C8 | H8 | 49.3° | 49.3° |
| O1 | C10 | C21 | C23 | 121.4° | 121.4° |
| O1 | C10 | C21 | H12 | 123.5° | 123.5° |
| O1 | C10 | C21 | C9 | 155.7° | 155.7° |
| O1 | C10 | C23 | H12 | 122.5° | 122.5° |
| O1 | C10 | C23 | C22 | 166.2° | 166.2° |
| O1 | C10 | C23 | C24 | 45.6° | 45.6° |
| O1 | C10 | C21 | H21 | 36.3° | 36.3° |
| O1 | C10 | C21 | H22 | 85.0° | 85.0° |
| O1 | C10 | C23 | H25 | 78.1° | 78.1° |
| C7 | C8 | N6 | H9 | 120.5° | 120.4° |
| C7 | C8 | N6 | H8 | 120.4° | 120.4° |
| C7 | C8 | N6 | C9 | 161.5° | 161.5° |
| C8 | C7 | C6 | H4 | 58.8° | 58.8° |
| C8 | C7 | H6 | H7 | 117.5° | 117.5° |
| C7 | C8 | H9 | H8 | 118.7° | 118.6° |
| C7 | C8 | N6 | H33 | 40.7° | 40.7° |
| C10 | C21 | C9 | H21 | 119.3° | 119.3° |
| C10 | C21 | C9 | H22 | 119.3° | 119.3° |
| C21 | C10 | C23 | H12 | 115.2° | 115.2° |
| C10 | C21 | C9 | N6 | 115.8° | 115.8° |
| C10 | C21 | C9 | C22 | 11.3° | 11.3° |
| C21 | C10 | C23 | C22 | 43.8° | 43.8° |
| C21 | C10 | C23 | C24 | 76.8° | 76.8° |
| C10 | C21 | H21 | H22 | 121.9° | 121.9° |
| C21 | C10 | C23 | H25 | 159.6° | 159.6° |
| C10 | C21 | C9 | H11 | 125.5° | 125.5° |
| C9 | C21 | C10 | C23 | 34.3° | 34.3° |
| C21 | C9 | N6 | C8 | 68.1° | 68.1° |
| C21 | C9 | N6 | C22 | 122.1° | 122.1° |
| C21 | C9 | N6 | H11 | 118.3° | 118.3° |
| C21 | C9 | C22 | H11 | 114.3° | 114.3° |
| C21 | C9 | C22 | C23 | 16.3° | 16.3° |
| C9 | C21 | H21 | H22 | 121.9° | 121.9° |
| C21 | C9 | C22 | H24 | 135.6° | 135.6° |
| C21 | C9 | C22 | H23 | 103.1° | 103.1° |
| C21 | C9 | N6 | H33 | 52.8° | 52.8° |
| C9 | C21 | C10 | H12 | 80.8° | 80.8° |
| C10 | C23 | C22 | C9 | 37.1° | 37.1° |
| C10 | C23 | C22 | C24 | 122.8° | 122.8° |
| C10 | C23 | C22 | H25 | 115.6° | 115.6° |
| C10 | C23 | C24 | H25 | 123.6° | 123.6° |
| C10 | C23 | C24 | C25 | 96.7° | 96.7° |
| C23 | C10 | C21 | H21 | 85.1° | 85.1° |
| C23 | C10 | C21 | H22 | 153.6° | 153.6° |
| C10 | C23 | C22 | H24 | 156.4° | 156.4° |
| C10 | C23 | C22 | H23 | 82.3° | 82.3° |
| C10 | C23 | C24 | H26 | 23.6° | 23.6° |
| C10 | C23 | C24 | H27 | 143.0° | 143.0° |
| C8 | N6 | C9 | H33 | 120.9° | 120.9° |
| C8 | N6 | C9 | C22 | 54.0° | 54.0° |
| N6 | C8 | C7 | H6 | 49.7° | 49.7° |
| N6 | C8 | C7 | H7 | 168.1° | 168.1° |
| N6 | C8 | H9 | H8 | 118.6° | 118.7° |
| C8 | N6 | C9 | H11 | 173.6° | 173.6° |
| N6 | C9 | C22 | H11 | 120.1° | 120.1° |
| N6 | C9 | C22 | C23 | 141.9° | 141.9° |
| N6 | C9 | C21 | H21 | 124.9° | 124.9° |
| N6 | C9 | C21 | H22 | 3.6° | 3.6° |
| N6 | C9 | C22 | H24 | 98.8° | 98.8° |
| N6 | C9 | C22 | H23 | 22.6° | 22.6° |
| C9 | N6 | C8 | H9 | 78.0° | 78.0° |
| C9 | N6 | C8 | H8 | 41.1° | 41.1° |
| C9 | C22 | C23 | H24 | 119.3° | 119.3° |
| C9 | C22 | C23 | H23 | 119.3° | 119.3° |
| C9 | C22 | C23 | C24 | 85.8° | 85.8° |
| C22 | C9 | C21 | H21 | 108.0° | 108.0° |
| C22 | C9 | C21 | H22 | 130.6° | 130.6° |
| C9 | C22 | H24 | H23 | 122.0° | 122.0° |
| C9 | C22 | C23 | H25 | 152.7° | 152.7° |
| C22 | C9 | N6 | H33 | 174.8° | 174.8° |
| C29 | C30 | C25 | H32 | 180.0° | 180.0° |
| C30 | C29 | C28 | H31 | 180.0° | 180.0° |
| C29 | C30 | C25 | C24 | 178.6° | 178.6° |
| C29 | C30 | C25 | C26 | 0.6° | 0.6° |
| C30 | C29 | C28 | C27 | 0.1° | 0.1° |
| C30 | C29 | C28 | H30 | 179.9° | 179.9° |
| C25 | C30 | C29 | C28 | 0.4° | 0.4° |
| C30 | C25 | C24 | C23 | 98.1° | 98.1° |
| C30 | C25 | C24 | C26 | 179.2° | 179.2° |
| C30 | C25 | C26 | C27 | 0.3° | 0.3° |
| C30 | C25 | C24 | H26 | 22.2° | 22.2° |
| C30 | C25 | C24 | H27 | 141.6° | 141.6° |
| C30 | C25 | C26 | H28 | 179.7° | 179.7° |
| C25 | C30 | C29 | H31 | 179.5° | 179.5° |
| C29 | C28 | C27 | H30 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.4° |
| C29 | C28 | C27 | H29 | 179.6° | 179.6° |
| C28 | C29 | C30 | H32 | 179.5° | 179.5° |
| C22 | C23 | C24 | H25 | 121.6° | 121.6° |
| C22 | C23 | C24 | C25 | 148.4° | 148.4° |
| C23 | C22 | H24 | H23 | 122.0° | 122.0° |
| C22 | C23 | C24 | H26 | 91.2° | 91.2° |
| C22 | C23 | C24 | H27 | 28.2° | 28.2° |
| C23 | C22 | C9 | H11 | 98.0° | 98.0° |
| C22 | C23 | C10 | H12 | 71.3° | 71.3° |
| C23 | C24 | C25 | H26 | 120.3° | 120.3° |
| C23 | C24 | C25 | H27 | 120.3° | 120.3° |
| C23 | C24 | C25 | C26 | 81.1° | 81.1° |
| C24 | C23 | C22 | H24 | 33.6° | 33.6° |
| C24 | C23 | C22 | H23 | 154.9° | 154.9° |
| C23 | C24 | H26 | H27 | 119.1° | 119.1° |
| C24 | C23 | C10 | H12 | 168.1° | 168.1° |
| C24 | C25 | C26 | C27 | 178.9° | 178.9° |
| C25 | C24 | C23 | H25 | 26.9° | 26.9° |
| C25 | C24 | H26 | H27 | 119.0° | 119.0° |
| C24 | C25 | C26 | H28 | 1.1° | 1.1° |
| C24 | C25 | C30 | H32 | 1.5° | 1.5° |
| C25 | C26 | C27 | C28 | 0.2° | 0.2° |
| C25 | C26 | C27 | H28 | 180.0° | 180.0° |
| C26 | C25 | C24 | H26 | 158.6° | 158.6° |
| C26 | C25 | C24 | H27 | 39.2° | 39.2° |
| C25 | C26 | C27 | H29 | 179.8° | 179.8° |
| C26 | C25 | C30 | H32 | 179.3° | 179.3° |
| C28 | C27 | C26 | H29 | 180.0° | 180.0° |
| C28 | C27 | C26 | H28 | 179.8° | 179.8° |
| C27 | C28 | C29 | H31 | 179.9° | 179.9° |
| C26 | C27 | C28 | H30 | 179.6° | 179.6° |
| H19 | C18 | C17 | H18 | 1.7° | 1.6° |
| H18 | C17 | C16 | H17 | 1.1° | 1.1° |
| H21 | C21 | C9 | H11 | 6.2° | 6.2° |
| H21 | C21 | C10 | H12 | 159.9° | 159.9° |
| H22 | C21 | C9 | H11 | 115.2° | 115.2° |
| H22 | C21 | C10 | H12 | 38.6° | 38.6° |
| H24 | C22 | C23 | H25 | 88.0° | 88.0° |
| H24 | C22 | C9 | H11 | 21.3° | 21.3° |
| H23 | C22 | C23 | H25 | 33.4° | 33.4° |
| H23 | C22 | C9 | H11 | 142.7° | 142.7° |
| H25 | C23 | C24 | H26 | 147.2° | 147.2° |
| H25 | C23 | C24 | H27 | 93.4° | 93.4° |
| H25 | C23 | C10 | H12 | 44.4° | 44.4° |
| H29 | C27 | C26 | H28 | 0.2° | 0.2° |
| H29 | C27 | C28 | H30 | 0.5° | 0.4° |
| H4 | C6 | C7 | H6 | 62.0° | 62.0° |
| H4 | C6 | C7 | H7 | 179.6° | 179.6° |
| H6 | C7 | C8 | H9 | 70.7° | 70.7° |
| H6 | C7 | C8 | H8 | 170.1° | 170.2° |
| H7 | C7 | C8 | H9 | 47.7° | 47.6° |
| H7 | C7 | C8 | H8 | 71.5° | 71.5° |
| H9 | C8 | N6 | H33 | 161.1° | 161.1° |
| H8 | C8 | N6 | H33 | 79.8° | 79.8° |
| H33 | N6 | C9 | H11 | 65.5° | 65.5° |
| H30 | C28 | C29 | H31 | 0.1° | 0.1° |
| H31 | C29 | C30 | H32 | 0.5° | 0.5° |
