SWR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C16 | sing | 1.74Å | 1.74Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | CL1 | sing | 1.74Å | 1.74Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | N6 | sing | 1.40Å | 1.41Å | |
| C20 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| N6 | C19 | sing | 1.35Å | 1.36Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N | sing | 1.40Å | 1.43Å | |
| C19 | N5 | sing | 1.35Å | 1.40Å | |
| C19 | O5 | doub | 1.22Å | 1.22Å | |
| N5 | C2 | sing | 1.47Å | 1.53Å | |
| N5 | O6 | sing | 1.42Å | 1.40Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.54Å | 1.58Å | |
| N | C3 | sing | 1.34Å | 1.38Å | |
| O1 | C5 | doub | 1.21Å | 1.23Å | |
| C3 | O | doub | 1.22Å | 1.22Å | |
| C3 | N1 | sing | 1.34Å | 1.37Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | N1 | sing | 1.47Å | 1.49Å | |
| C1 | C26 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.47Å | 1.45Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | N3 | sing | 1.29Å | 1.38Å | |
| N3 | C6 | doub | 1.33Å | 1.28Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | |
| C7 | C8 | doub | 1.41Å | 1.34Å | |
| C8 | C9 | sing | 1.38Å | 1.43Å | |
| C9 | C10 | doub | 1.47Å | 1.36Å | Aromatic |
| C9 | O2 | sing | 1.35Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| O2 | C12 | sing | 1.34Å | 1.35Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.34Å | Aromatic |
| C12 | N4 | sing | 1.48Å | 1.42Å | |
| O4 | N4 | sing | 1.32Å | 1.23Å | |
| N4 | O3 | doub | 1.32Å | 1.23Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C16 | C15 | 119.3° | 119.9° |
| CL | C16 | C17 | 119.4° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.1° |
| C16 | C15 | C14 | 119.3° | 120.0° |
| C16 | C15 | H13 | 120.4° | 120.0° |
| C16 | C17 | C18 | 119.2° | 120.1° |
| C16 | C17 | H14 | 120.4° | 119.9° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C15 | C14 | H12 | 119.8° | 120.0° |
| C14 | C15 | H13 | 120.4° | 119.9° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H17 | 119.8° | 120.0° |
| C21 | C22 | H18 | 120.4° | 120.0° |
| C22 | C23 | CL1 | 119.4° | 119.9° |
| C22 | C23 | C24 | 121.4° | 120.1° |
| C23 | C22 | H18 | 120.4° | 119.9° |
| C21 | C20 | N6 | 122.9° | 120.1° |
| C21 | C20 | C25 | 119.4° | 119.9° |
| C20 | C21 | H17 | 119.9° | 120.0° |
| C17 | C18 | C13 | 120.3° | 120.0° |
| C18 | C17 | H14 | 120.4° | 120.0° |
| C17 | C18 | H15 | 119.8° | 120.0° |
| CL1 | C23 | C24 | 119.2° | 119.9° |
| C23 | C24 | C25 | 119.2° | 120.1° |
| C23 | C24 | H19 | 120.4° | 120.0° |
| N6 | C20 | C25 | 117.5° | 120.0° |
| C20 | N6 | C19 | 123.1° | 120.0° |
| C20 | N6 | H16 | 118.5° | 119.9° |
| C20 | C25 | C24 | 120.4° | 119.9° |
| C20 | C25 | H20 | 119.8° | 120.0° |
| C14 | C13 | C18 | 119.4° | 119.8° |
| C14 | C13 | N | 120.3° | 120.0° |
| C13 | C14 | H12 | 119.8° | 120.0° |
| N6 | C19 | N5 | 119.6° | 120.0° |
| N6 | C19 | O5 | 123.1° | 120.0° |
| C19 | N6 | H16 | 118.4° | 120.0° |
| C25 | C24 | H19 | 120.4° | 119.9° |
| C24 | C25 | H20 | 119.8° | 120.0° |
| C18 | C13 | N | 120.3° | 120.1° |
| C13 | C18 | H15 | 119.8° | 120.0° |
| C13 | N | C2 | 123.2° | 125.4° |
| C13 | N | C3 | 125.5° | 125.4° |
| N5 | C19 | O5 | 117.3° | 120.0° |
| C19 | N5 | C2 | 117.8° | 120.0° |
| C19 | N5 | O6 | 113.6° | 120.0° |
| C2 | N5 | O6 | 114.0° | 120.0° |
| N5 | C2 | N | 118.5° | 110.6° |
| N5 | C2 | C1 | 110.2° | 110.6° |
| N5 | C2 | H3 | 108.5° | 110.6° |
| N5 | O6 | H21 | 109.5° | 113.9° |
| N | C2 | C1 | 102.0° | 103.9° |
| C2 | N | C3 | 111.3° | 109.2° |
| N | C2 | H3 | 109.2° | 110.5° |
| C2 | C1 | C | 110.4° | 110.6° |
| C2 | C1 | N1 | 98.0° | 103.9° |
| C2 | C1 | C26 | 117.0° | 110.7° |
| C1 | C2 | H3 | 107.9° | 110.5° |
| N | C3 | O | 127.1° | 123.0° |
| N | C3 | N1 | 107.2° | 113.9° |
| O1 | C5 | C4 | 121.2° | 120.1° |
| O1 | C5 | N2 | 122.7° | 120.0° |
| O | C3 | N1 | 125.7° | 123.1° |
| C3 | N1 | C1 | 111.1° | 109.2° |
| C3 | N1 | C4 | 121.7° | 125.4° |
| C | C1 | N1 | 111.8° | 110.6° |
| C | C1 | C26 | 110.3° | 110.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H2 | 109.4° | 109.5° |
| N1 | C1 | C26 | 108.8° | 110.6° |
| C1 | N1 | C4 | 127.2° | 125.4° |
| C1 | C26 | H22 | 109.5° | 109.4° |
| C1 | C26 | H23 | 109.4° | 109.5° |
| C1 | C26 | H24 | 109.5° | 109.5° |
| N1 | C4 | C5 | 113.2° | 109.4° |
| N1 | C4 | H4 | 108.5° | 109.4° |
| N1 | C4 | H5 | 108.5° | 109.5° |
| C4 | C5 | N2 | 116.1° | 119.9° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C5 | C4 | H5 | 108.5° | 109.5° |
| C5 | N2 | N3 | 120.0° | 120.0° |
| C5 | N2 | H6 | 120.0° | 120.0° |
| N2 | N3 | C6 | 116.1° | 120.0° |
| N3 | N2 | H6 | 120.0° | 120.0° |
| N3 | C6 | C7 | 115.7° | 120.0° |
| N3 | C6 | H7 | 122.2° | 119.9° |
| C6 | C7 | C8 | 122.4° | 120.0° |
| C6 | C7 | H8 | 118.8° | 120.0° |
| C7 | C6 | H7 | 122.1° | 120.0° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C8 | C7 | H8 | 118.8° | 120.0° |
| C7 | C8 | H9 | 120.2° | 120.0° |
| C8 | C9 | C10 | 131.8° | 126.6° |
| C8 | C9 | O2 | 118.4° | 126.6° |
| C9 | C8 | H9 | 120.2° | 120.0° |
| C10 | C9 | O2 | 109.9° | 106.8° |
| C9 | C10 | C11 | 107.2° | 105.7° |
| C9 | C10 | H10 | 126.4° | 127.1° |
| C9 | O2 | C12 | 104.8° | 109.7° |
| C10 | C11 | C12 | 105.0° | 107.6° |
| C11 | C10 | H10 | 126.4° | 127.1° |
| C10 | C11 | H11 | 127.5° | 126.2° |
| O2 | C12 | C11 | 113.0° | 110.2° |
| O2 | C12 | N4 | 115.9° | 124.9° |
| C11 | C12 | N4 | 131.1° | 124.9° |
| C12 | C11 | H11 | 127.5° | 126.2° |
| C12 | N4 | O4 | 118.0° | 120.0° |
| C12 | N4 | O3 | 117.9° | 120.0° |
| O4 | N4 | O3 | 124.1° | 120.0° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H | C | H2 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C16 | C15 | C17 | 179.4° | 180.0° |
| CL | C16 | C15 | C14 | 179.3° | 180.0° |
| CL | C16 | C17 | C18 | 179.0° | 179.7° |
| CL | C16 | C15 | H13 | 0.7° | 0.0° |
| CL | C16 | C17 | H14 | 1.0° | 0.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.3° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | H14 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.7° |
| C16 | C17 | C18 | C13 | 0.7° | 0.6° |
| C17 | C16 | C15 | H13 | 179.9° | 180.0° |
| C16 | C17 | C18 | H15 | 179.3° | 180.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.2° | 0.3° |
| C15 | C14 | C13 | N | 178.7° | 180.0° |
| C21 | C22 | C23 | H18 | 180.0° | 180.0° |
| C22 | C21 | C20 | H17 | 180.0° | 180.0° |
| C21 | C22 | C23 | CL1 | 176.5° | 180.0° |
| C21 | C22 | C23 | C24 | 1.5° | 0.0° |
| C22 | C21 | C20 | N6 | 173.4° | 180.0° |
| C22 | C21 | C20 | C25 | 1.5° | 0.3° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | C23 | CL1 | C24 | 178.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.3° | 0.3° |
| C23 | C22 | C21 | H17 | 180.0° | 180.0° |
| C22 | C23 | C24 | H19 | 178.7° | 179.9° |
| C21 | C20 | N6 | C25 | 175.0° | 179.7° |
| C21 | C20 | N6 | C19 | 131.0° | 145.3° |
| C21 | C20 | C25 | C24 | 1.7° | 0.6° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C21 | C20 | C25 | H20 | 178.3° | 179.8° |
| C21 | C20 | N6 | H16 | 49.0° | 34.6° |
| C17 | C18 | C13 | C14 | 0.6° | 0.6° |
| C17 | C18 | C13 | H15 | 180.0° | 179.4° |
| C17 | C18 | C13 | N | 178.4° | 179.7° |
| CL1 | C23 | C24 | C25 | 176.6° | 179.7° |
| CL1 | C23 | C22 | H18 | 3.5° | 0.0° |
| CL1 | C23 | C24 | H19 | 3.4° | 0.1° |
| C23 | C24 | C25 | C20 | 0.3° | 0.6° |
| C23 | C24 | C25 | H19 | 180.0° | 179.8° |
| C24 | C23 | C22 | H18 | 178.6° | 180.0° |
| C23 | C24 | C25 | H20 | 179.7° | 179.8° |
| C20 | N6 | C19 | H16 | 180.0° | 179.9° |
| N6 | C20 | C25 | C24 | 173.5° | 179.7° |
| C20 | N6 | C19 | N5 | 154.5° | 174.9° |
| C20 | N6 | C19 | O5 | 24.6° | 5.0° |
| N6 | C20 | C21 | H17 | 6.6° | 0.1° |
| N6 | C20 | C25 | H20 | 6.5° | 0.1° |
| C25 | C20 | N6 | C19 | 44.0° | 34.4° |
| C20 | C25 | C24 | H20 | 180.0° | 179.7° |
| C25 | C20 | C21 | H17 | 178.4° | 179.8° |
| C20 | C25 | C24 | H19 | 179.7° | 179.6° |
| C25 | C20 | N6 | H16 | 136.0° | 145.7° |
| C14 | C13 | C18 | N | 179.0° | 179.7° |
| C14 | C13 | N | C2 | 26.5° | 174.5° |
| C14 | C13 | N | C3 | 155.6° | 5.6° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C14 | C13 | C18 | H15 | 179.4° | 180.0° |
| N6 | C19 | N5 | O5 | 179.2° | 179.9° |
| N6 | C19 | N5 | C2 | 106.3° | 175.3° |
| N6 | C19 | N5 | O6 | 116.6° | 4.7° |
| C18 | C13 | N | C2 | 152.4° | 5.2° |
| C18 | C13 | N | C3 | 25.4° | 174.7° |
| C18 | C13 | C14 | H12 | 179.8° | 179.8° |
| C13 | C18 | C17 | H14 | 179.3° | 179.7° |
| C13 | N | C2 | N5 | 42.0° | 61.3° |
| C13 | N | C2 | C3 | 178.1° | 179.9° |
| C13 | N | C2 | C1 | 163.1° | 180.0° |
| C13 | N | C3 | O | 2.2° | 0.2° |
| C13 | N | C3 | N1 | 177.4° | 179.8° |
| C13 | N | C2 | H3 | 82.9° | 61.5° |
| N | C13 | C14 | H12 | 1.2° | 0.1° |
| N | C13 | C18 | H15 | 1.6° | 0.3° |
| C19 | N5 | C2 | O6 | 136.9° | 180.0° |
| C19 | N5 | C2 | N | 178.0° | 44.3° |
| C19 | N5 | C2 | C1 | 65.1° | 70.2° |
| C19 | N5 | C2 | H3 | 52.8° | 167.0° |
| N5 | C19 | N6 | H16 | 25.4° | 5.2° |
| C19 | N5 | O6 | H21 | 25.8° | 175.0° |
| O5 | C19 | N5 | C2 | 74.5° | 4.6° |
| O5 | C19 | N5 | O6 | 62.6° | 175.4° |
| O5 | C19 | N6 | H16 | 155.4° | 174.9° |
| N5 | C2 | N | C1 | 121.2° | 118.7° |
| N5 | C2 | N | H3 | 124.8° | 122.8° |
| N5 | C2 | C1 | H3 | 118.3° | 122.8° |
| N5 | C2 | N | C3 | 139.9° | 118.6° |
| N5 | C2 | C1 | C | 88.0° | 122.9° |
| N5 | C2 | C1 | N1 | 155.1° | 118.5° |
| N5 | C2 | C1 | C26 | 39.1° | 0.2° |
| C2 | N5 | O6 | H21 | 113.0° | 5.0° |
| O6 | N5 | C2 | N | 45.1° | 135.7° |
| O6 | N5 | C2 | C1 | 71.8° | 109.8° |
| O6 | N5 | C2 | H3 | 170.3° | 13.0° |
| N | C2 | C1 | H3 | 115.0° | 118.5° |
| C2 | N | C3 | O | 179.8° | 179.9° |
| C2 | N | C3 | N1 | 0.6° | 0.1° |
| N | C2 | C1 | C | 145.2° | 118.4° |
| N | C2 | C1 | N1 | 28.3° | 0.2° |
| N | C2 | C1 | C26 | 87.6° | 118.9° |
| C1 | C2 | N | C3 | 18.8° | 0.1° |
| C2 | C1 | N1 | C3 | 31.7° | 0.3° |
| C2 | C1 | C | N1 | 108.0° | 114.5° |
| C2 | C1 | C | C26 | 130.8° | 122.8° |
| C2 | C1 | N1 | C26 | 122.2° | 118.7° |
| C2 | C1 | N1 | C4 | 147.4° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 175.9° |
| C2 | C1 | C | H | 60.0° | 64.1° |
| C2 | C1 | C | H2 | 60.0° | 55.9° |
| C2 | C1 | C26 | H22 | 180.0° | 174.7° |
| C2 | C1 | C26 | H23 | 60.0° | 65.4° |
| C2 | C1 | C26 | H24 | 60.0° | 54.7° |
| N | C3 | O | N1 | 179.6° | 180.0° |
| N | C3 | N1 | C1 | 22.0° | 0.3° |
| N | C3 | N1 | C4 | 157.2° | 180.0° |
| C3 | N | C2 | H3 | 95.2° | 118.6° |
| O1 | C5 | C4 | N1 | 6.6° | 0.1° |
| O1 | C5 | C4 | N2 | 179.8° | 180.0° |
| O1 | C5 | N2 | N3 | 179.6° | 0.0° |
| O1 | C5 | N2 | H6 | 0.4° | 179.9° |
| O1 | C5 | C4 | H4 | 113.9° | 120.0° |
| O1 | C5 | C4 | H5 | 127.2° | 119.9° |
| O | C3 | N1 | C1 | 158.4° | 179.8° |
| O | C3 | N1 | C4 | 22.5° | 0.0° |
| C3 | N1 | C1 | C | 147.5° | 118.3° |
| C3 | N1 | C1 | C4 | 179.1° | 179.7° |
| C3 | N1 | C1 | C26 | 90.5° | 119.0° |
| C3 | N1 | C4 | C5 | 83.7° | 89.7° |
| C3 | N1 | C4 | H4 | 36.9° | 30.3° |
| C3 | N1 | C4 | H5 | 155.7° | 150.3° |
| C | C1 | N1 | C26 | 122.1° | 122.7° |
| C | C1 | N1 | C4 | 31.6° | 61.4° |
| C | C1 | C2 | H3 | 30.2° | 0.2° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C | C1 | C26 | H22 | 52.8° | 51.9° |
| C | C1 | C26 | H23 | 172.8° | 171.9° |
| C | C1 | C26 | H24 | 67.2° | 68.1° |
| C1 | N1 | C4 | C5 | 95.3° | 90.0° |
| C1 | N1 | C4 | H4 | 144.2° | 150.0° |
| C1 | N1 | C4 | H5 | 25.3° | 30.0° |
| N1 | C1 | C2 | H3 | 86.7° | 118.8° |
| N1 | C1 | C | H1 | 72.0° | 61.4° |
| N1 | C1 | C | H | 168.0° | 178.5° |
| N1 | C1 | C | H2 | 48.0° | 58.5° |
| N1 | C1 | C26 | H22 | 70.2° | 70.8° |
| N1 | C1 | C26 | H23 | 49.9° | 49.2° |
| N1 | C1 | C26 | H24 | 169.8° | 169.2° |
| C26 | C1 | N1 | C4 | 90.4° | 61.3° |
| C26 | C1 | C2 | H3 | 157.4° | 122.6° |
| C26 | C1 | C | H1 | 49.2° | 61.3° |
| C26 | C1 | C | H | 70.8° | 58.8° |
| C26 | C1 | C | H2 | 169.2° | 178.8° |
| C1 | C26 | H22 | H23 | 120.0° | 119.9° |
| C1 | C26 | H22 | H24 | 120.0° | 120.0° |
| C1 | C26 | H23 | H24 | 120.0° | 120.0° |
| N1 | C4 | C5 | H4 | 120.6° | 119.9° |
| N1 | C4 | C5 | H5 | 120.6° | 120.0° |
| N1 | C4 | C5 | N2 | 173.5° | 180.0° |
| N1 | C4 | H4 | H5 | 118.3° | 120.0° |
| C4 | C5 | N2 | N3 | 0.6° | 180.0° |
| C4 | C5 | N2 | H6 | 179.4° | 0.0° |
| C5 | C4 | H4 | H5 | 118.3° | 120.1° |
| C5 | N2 | N3 | H6 | 180.0° | 179.9° |
| C5 | N2 | N3 | C6 | 179.6° | 180.0° |
| N2 | C5 | C4 | H4 | 65.9° | 60.1° |
| N2 | C5 | C4 | H5 | 53.0° | 60.0° |
| N2 | N3 | C6 | C7 | 168.2° | 180.0° |
| N2 | N3 | C6 | H7 | 11.8° | 0.0° |
| N3 | C6 | C7 | H7 | 180.0° | 180.0° |
| N3 | C6 | C7 | C8 | 179.5° | 180.0° |
| N3 | C6 | C7 | H8 | 0.5° | 0.0° |
| C6 | N3 | N2 | H6 | 0.4° | 0.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.8° | 180.0° |
| C6 | C7 | C8 | H9 | 0.2° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 180.0° |
| C7 | C8 | C9 | O2 | 179.6° | 0.3° |
| C8 | C7 | C6 | H7 | 0.5° | 0.0° |
| C8 | C9 | C10 | O2 | 179.8° | 179.7° |
| C8 | C9 | C10 | C11 | 179.5° | 180.0° |
| C8 | C9 | O2 | C12 | 179.5° | 179.8° |
| C9 | C8 | C7 | H8 | 0.2° | 0.0° |
| C8 | C9 | C10 | H10 | 0.5° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C10 | C9 | O2 | C12 | 0.3° | 0.4° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C9 | C8 | H9 | 179.8° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| O2 | C9 | C10 | C11 | 0.3° | 0.3° |
| C9 | O2 | C12 | C11 | 0.2° | 0.4° |
| C9 | O2 | C12 | N4 | 179.9° | 179.8° |
| O2 | C9 | C8 | H9 | 0.5° | 179.7° |
| O2 | C9 | C10 | H10 | 179.7° | 179.7° |
| C10 | C11 | C12 | O2 | 0.0° | 0.3° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | N4 | 179.7° | 180.0° |
| O2 | C12 | C11 | N4 | 179.7° | 179.8° |
| O2 | C12 | N4 | O4 | 0.9° | 179.7° |
| O2 | C12 | N4 | O3 | 178.7° | 0.3° |
| O2 | C12 | C11 | H11 | 180.0° | 179.7° |
| C11 | C12 | N4 | O4 | 179.4° | 0.0° |
| C11 | C12 | N4 | O3 | 0.9° | 180.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C12 | N4 | O4 | O3 | 179.6° | 180.0° |
| N4 | C12 | C11 | H11 | 0.4° | 0.1° |
| H8 | C7 | C8 | H9 | 179.7° | 180.0° |
| H8 | C7 | C6 | H7 | 179.5° | 180.0° |
| H1 | C | H | H2 | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| H12 | C14 | C15 | H13 | 0.0° | 0.1° |
| H14 | C17 | C18 | H15 | 0.7° | 0.3° |
| H17 | C21 | C22 | H18 | 0.0° | 0.0° |
| H19 | C24 | C25 | H20 | 0.3° | 0.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
