A1CJA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | doub | 1.33Å | 1.37Å | Aromatic |
| C | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.42Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| N | C8 | sing | 1.32Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.51Å | |
| N1 | C9 | sing | 1.35Å | 1.35Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N1 | sing | 1.47Å | 1.47Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N3 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.37Å | Aromatic |
| C17 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| O | C9 | doub | 1.22Å | 1.22Å | |
| C6 | C18 | sing | 1.48Å | 1.50Å | |
| N4 | C18 | sing | 1.35Å | 1.35Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.54Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | N4 | sing | 1.47Å | 1.47Å | |
| C18 | O1 | doub | 1.22Å | 1.22Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C24 | O2 | sing | 1.43Å | 1.44Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.39Å | Aromatic |
| C30 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| N5 | C29 | sing | 1.34Å | 1.38Å | Aromatic |
| N6 | N5 | doub | 1.27Å | 1.28Å | Aromatic |
| S | N6 | sing | 1.57Å | 1.71Å | Aromatic |
| C28 | S | sing | 1.76Å | 1.71Å | Aromatic |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 118.3° | 120.7° |
| N | C | C5 | 122.9° | 120.1° |
| C | N | C8 | 117.5° | 121.8° |
| C | C1 | C2 | 120.8° | 120.0° |
| C1 | C | C5 | 118.8° | 119.1° |
| C | C1 | H | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.3° | 121.0° |
| C1 | C2 | H1 | 119.8° | 119.5° |
| C2 | C1 | H | 119.6° | 120.1° |
| C2 | C3 | C4 | 121.1° | 120.7° |
| C2 | C3 | O2 | 112.0° | 119.6° |
| C3 | C2 | H1 | 119.8° | 119.5° |
| C3 | C4 | C5 | 120.0° | 119.5° |
| C4 | C3 | O2 | 126.9° | 119.7° |
| C3 | C4 | H2 | 120.0° | 120.2° |
| C4 | C5 | C | 118.9° | 119.8° |
| C4 | C5 | C6 | 124.2° | 121.2° |
| C5 | C4 | H2 | 120.0° | 120.3° |
| C | C5 | C6 | 116.9° | 119.0° |
| C5 | C6 | C7 | 119.0° | 117.9° |
| C5 | C6 | C18 | 120.7° | 121.0° |
| C6 | C7 | C8 | 119.5° | 119.5° |
| C7 | C6 | C18 | 120.3° | 121.1° |
| C6 | C7 | H3 | 120.3° | 120.3° |
| C7 | C8 | N | 124.2° | 121.7° |
| C7 | C8 | C9 | 116.3° | 119.2° |
| C8 | C7 | H3 | 120.3° | 120.2° |
| N | C8 | C9 | 117.7° | 119.2° |
| C8 | C9 | N1 | 119.2° | 120.0° |
| C8 | C9 | O | 118.3° | 120.0° |
| C9 | N1 | C10 | 122.0° | 120.7° |
| C9 | N1 | C14 | 124.9° | 120.6° |
| N1 | C9 | O | 122.3° | 120.0° |
| N1 | C10 | C11 | 111.3° | 109.1° |
| C10 | N1 | C14 | 113.1° | 118.8° |
| N1 | C10 | H4 | 109.0° | 109.6° |
| N1 | C10 | H5 | 109.0° | 109.5° |
| C10 | C11 | C12 | 110.2° | 109.4° |
| C10 | C11 | H6 | 109.3° | 109.6° |
| C10 | C11 | H7 | 109.3° | 109.4° |
| C11 | C10 | H4 | 109.0° | 109.5° |
| C11 | C10 | H5 | 109.0° | 109.5° |
| C11 | C12 | C13 | 109.5° | 109.6° |
| C11 | C12 | N2 | 114.7° | 109.5° |
| C11 | C12 | H8 | 106.2° | 109.4° |
| C12 | C11 | H6 | 109.3° | 109.5° |
| C12 | C11 | H7 | 109.3° | 109.5° |
| C12 | C13 | C14 | 110.3° | 109.3° |
| C13 | C12 | N2 | 112.9° | 109.5° |
| C12 | C13 | H9 | 109.3° | 109.6° |
| C12 | C13 | H10 | 109.2° | 109.5° |
| C13 | C12 | H8 | 106.2° | 109.4° |
| C13 | C14 | N1 | 111.5° | 108.8° |
| C13 | C14 | H11 | 108.9° | 109.6° |
| C13 | C14 | H12 | 109.0° | 109.7° |
| C14 | C13 | H9 | 109.3° | 109.5° |
| C14 | C13 | H10 | 109.3° | 109.5° |
| N1 | C14 | H11 | 109.0° | 109.5° |
| N1 | C14 | H12 | 109.0° | 109.6° |
| C12 | N2 | N3 | 121.2° | 126.1° |
| C12 | N2 | C17 | 126.7° | 126.0° |
| N2 | C12 | H8 | 106.7° | 109.4° |
| N2 | N3 | C15 | 104.1° | 108.2° |
| N3 | N2 | C17 | 112.0° | 107.9° |
| N3 | C15 | C16 | 112.0° | 108.2° |
| N3 | C15 | H13 | 124.0° | 125.9° |
| C15 | C16 | C17 | 105.0° | 107.9° |
| C15 | C16 | H14 | 127.5° | 126.0° |
| C16 | C15 | H13 | 124.0° | 125.9° |
| C16 | C17 | N2 | 106.8° | 107.8° |
| C16 | C17 | H15 | 126.6° | 126.1° |
| C17 | C16 | H14 | 127.5° | 126.1° |
| N2 | C17 | H15 | 126.6° | 126.1° |
| C6 | C18 | N4 | 119.9° | 120.0° |
| C6 | C18 | O1 | 117.9° | 120.0° |
| C18 | N4 | C19 | 122.9° | 120.6° |
| C18 | N4 | C23 | 124.5° | 120.6° |
| N4 | C18 | O1 | 122.3° | 120.0° |
| N4 | C19 | C20 | 111.2° | 108.5° |
| C19 | N4 | C23 | 112.6° | 118.8° |
| N4 | C19 | H16 | 109.0° | 109.6° |
| N4 | C19 | H17 | 109.0° | 109.6° |
| C19 | C20 | C21 | 110.9° | 109.2° |
| C19 | C20 | H18 | 109.1° | 109.7° |
| C19 | C20 | H19 | 109.1° | 109.5° |
| C20 | C19 | H16 | 109.1° | 109.7° |
| C20 | C19 | H17 | 109.0° | 109.6° |
| C20 | C21 | C22 | 110.6° | 109.6° |
| C20 | C21 | H20 | 109.2° | 109.5° |
| C20 | C21 | H21 | 109.2° | 109.4° |
| C21 | C20 | H18 | 109.1° | 109.5° |
| C21 | C20 | H19 | 109.1° | 109.5° |
| C21 | C22 | C23 | 110.8° | 109.3° |
| C21 | C22 | H22 | 109.1° | 109.5° |
| C21 | C22 | H23 | 109.1° | 109.5° |
| C22 | C21 | H20 | 109.2° | 109.4° |
| C22 | C21 | H21 | 109.2° | 109.5° |
| C22 | C23 | N4 | 110.4° | 108.8° |
| C22 | C23 | H24 | 109.2° | 109.6° |
| C22 | C23 | H25 | 109.2° | 109.7° |
| C23 | C22 | H22 | 109.1° | 109.5° |
| C23 | C22 | H23 | 109.1° | 109.5° |
| N4 | C23 | H24 | 109.2° | 109.6° |
| N4 | C23 | H25 | 109.2° | 109.5° |
| C3 | O2 | C24 | 119.9° | 117.0° |
| O2 | C24 | C25 | 114.8° | 109.5° |
| O2 | C24 | H26 | 108.1° | 109.5° |
| O2 | C24 | H27 | 108.1° | 109.6° |
| C24 | C25 | C26 | 118.6° | 119.4° |
| C24 | C25 | C30 | 122.1° | 119.3° |
| C25 | C24 | H26 | 108.1° | 109.4° |
| C25 | C24 | H27 | 108.1° | 109.4° |
| C25 | C26 | C27 | 121.4° | 120.0° |
| C26 | C25 | C30 | 119.2° | 121.2° |
| C25 | C26 | H28 | 119.3° | 120.0° |
| C26 | C27 | C28 | 118.9° | 119.4° |
| C26 | C27 | H29 | 120.6° | 120.3° |
| C27 | C26 | H28 | 119.3° | 120.0° |
| C27 | C28 | C29 | 121.0° | 121.2° |
| C27 | C28 | S | 131.3° | 134.9° |
| C28 | C27 | H29 | 120.6° | 120.3° |
| C28 | C29 | C30 | 119.3° | 118.0° |
| C28 | C29 | N5 | 113.7° | 110.1° |
| C29 | C28 | S | 107.7° | 103.9° |
| C29 | C30 | C25 | 120.1° | 120.2° |
| C30 | C29 | N5 | 126.9° | 132.0° |
| C29 | C30 | H30 | 119.9° | 119.9° |
| C25 | C30 | H30 | 120.0° | 120.0° |
| C29 | N5 | N6 | 113.6° | 120.0° |
| N5 | N6 | S | 113.0° | 110.5° |
| N6 | S | C28 | 92.0° | 95.5° |
| H24 | C23 | H25 | 109.5° | 109.6° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.8° |
| H11 | C14 | H12 | 109.5° | 109.6° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.7° |
| H26 | C24 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | C5 | 179.9° | 179.8° |
| N | C | C1 | C2 | 179.6° | 179.2° |
| N | C | C5 | C4 | 178.3° | 179.8° |
| N | C | C5 | C6 | 1.3° | 0.5° |
| C | N | C8 | C7 | 1.0° | 0.0° |
| C | N | C8 | C9 | 165.3° | 179.9° |
| N | C | C1 | H | 0.4° | 0.0° |
| C | C1 | C2 | H | 180.0° | 179.2° |
| C | C1 | C2 | C3 | 2.4° | 0.8° |
| C1 | C | C5 | C4 | 1.7° | 0.0° |
| C1 | C | C5 | C6 | 178.6° | 179.8° |
| C1 | C | N | C8 | 179.8° | 180.0° |
| C | C1 | C2 | H1 | 177.6° | 179.7° |
| C1 | C2 | C3 | H1 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 2.5° | 0.5° |
| C2 | C1 | C | C5 | 0.3° | 0.5° |
| C1 | C2 | C3 | O2 | 178.2° | 179.5° |
| C2 | C3 | C4 | O2 | 179.2° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | O2 | C24 | 176.0° | 0.0° |
| C2 | C3 | C4 | H2 | 179.6° | 179.9° |
| C3 | C2 | C1 | H | 177.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C | 1.7° | 0.2° |
| C3 | C4 | C5 | C6 | 178.7° | 180.0° |
| C4 | C3 | O2 | C24 | 4.8° | 180.0° |
| C4 | C3 | C2 | H1 | 177.5° | 180.0° |
| C4 | C5 | C | C6 | 179.7° | 179.8° |
| C4 | C5 | C6 | C7 | 178.3° | 179.8° |
| C4 | C5 | C6 | C18 | 1.7° | 0.0° |
| C5 | C4 | C3 | O2 | 179.6° | 180.0° |
| C | C5 | C6 | C7 | 1.4° | 0.5° |
| C5 | C | N | C8 | 0.2° | 0.2° |
| C | C5 | C6 | C18 | 178.7° | 179.8° |
| C | C5 | C4 | H2 | 178.4° | 179.8° |
| C5 | C | C1 | H | 179.7° | 179.8° |
| C5 | C6 | C7 | C18 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 0.4° | 0.3° |
| C5 | C6 | C18 | N4 | 93.6° | 129.4° |
| C5 | C6 | C18 | O1 | 85.6° | 50.4° |
| C5 | C6 | C7 | H3 | 179.6° | 179.7° |
| C6 | C5 | C4 | H2 | 1.3° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | N | 0.9° | 0.0° |
| C6 | C7 | C8 | C9 | 165.4° | 180.0° |
| C7 | C6 | C18 | N4 | 86.5° | 50.4° |
| C7 | C6 | C18 | O1 | 94.3° | 129.8° |
| C7 | C8 | N | C9 | 164.3° | 179.9° |
| C7 | C8 | C9 | N1 | 134.0° | 155.9° |
| C7 | C8 | C9 | O | 50.5° | 24.1° |
| C8 | C7 | C6 | C18 | 179.7° | 180.0° |
| N | C8 | C9 | N1 | 60.4° | 24.2° |
| N | C8 | C9 | O | 115.1° | 155.9° |
| N | C8 | C7 | H3 | 179.1° | 180.0° |
| C8 | C9 | N1 | O | 175.3° | 180.0° |
| C8 | C9 | N1 | C10 | 170.0° | 179.9° |
| C8 | C9 | N1 | C14 | 8.6° | 0.2° |
| C9 | C8 | C7 | H3 | 14.6° | 0.0° |
| C9 | N1 | C10 | C14 | 178.8° | 179.7° |
| C9 | N1 | C10 | C11 | 126.0° | 126.4° |
| C9 | N1 | C14 | C13 | 126.6° | 126.4° |
| C9 | N1 | C14 | H11 | 6.3° | 113.8° |
| C9 | N1 | C14 | H12 | 113.1° | 6.5° |
| C9 | N1 | C10 | H4 | 5.8° | 6.6° |
| C9 | N1 | C10 | H5 | 113.7° | 113.8° |
| N1 | C10 | C11 | H4 | 120.3° | 119.9° |
| N1 | C10 | C11 | H5 | 120.3° | 119.8° |
| N1 | C10 | C11 | C12 | 56.4° | 54.4° |
| C10 | N1 | C14 | C13 | 54.7° | 53.3° |
| C10 | N1 | C9 | O | 5.3° | 0.1° |
| C10 | N1 | C14 | H11 | 175.0° | 66.5° |
| C10 | N1 | C14 | H12 | 65.6° | 173.2° |
| N1 | C10 | C11 | H6 | 63.7° | 174.4° |
| N1 | C10 | C11 | H7 | 176.5° | 65.5° |
| N1 | C10 | H4 | H5 | 119.2° | 120.3° |
| C10 | C11 | C12 | H6 | 120.1° | 120.1° |
| C10 | C11 | C12 | H7 | 120.1° | 119.8° |
| C10 | C11 | C12 | C13 | 57.6° | 61.2° |
| C11 | C10 | N1 | C14 | 55.2° | 53.3° |
| C10 | C11 | C12 | N2 | 174.2° | 178.7° |
| C10 | C11 | C12 | H8 | 56.6° | 58.8° |
| C10 | C11 | H6 | H7 | 119.7° | 120.0° |
| C11 | C10 | H4 | H5 | 119.2° | 120.1° |
| C11 | C12 | C13 | N2 | 129.2° | 120.1° |
| C11 | C12 | C13 | H8 | 114.2° | 120.0° |
| C11 | C12 | C13 | C14 | 57.1° | 61.3° |
| C11 | C12 | N2 | H8 | 117.3° | 119.9° |
| C11 | C12 | N2 | N3 | 118.2° | 144.9° |
| C11 | C12 | N2 | C17 | 58.5° | 34.8° |
| C11 | C12 | C13 | H9 | 63.1° | 178.7° |
| C11 | C12 | C13 | H10 | 177.2° | 58.6° |
| C12 | C11 | H6 | H7 | 119.7° | 120.0° |
| C12 | C11 | C10 | H4 | 176.7° | 174.2° |
| C12 | C11 | C10 | H5 | 63.9° | 65.5° |
| C12 | C13 | C14 | H9 | 120.1° | 120.0° |
| C12 | C13 | C14 | H10 | 120.1° | 120.0° |
| C12 | C13 | C14 | N1 | 55.4° | 54.6° |
| C13 | C12 | N2 | H8 | 116.3° | 119.9° |
| C13 | C12 | N2 | N3 | 115.4° | 95.0° |
| C13 | C12 | N2 | C17 | 67.9° | 85.3° |
| C12 | C13 | C14 | H11 | 175.7° | 65.2° |
| C12 | C13 | C14 | H12 | 65.0° | 174.5° |
| C12 | C13 | H9 | H10 | 119.6° | 120.1° |
| C13 | C12 | C11 | H6 | 62.5° | 178.7° |
| C13 | C12 | C11 | H7 | 177.7° | 58.6° |
| C13 | C14 | N1 | H11 | 120.3° | 119.8° |
| C13 | C14 | N1 | H12 | 120.3° | 120.0° |
| C14 | C13 | C12 | N2 | 173.8° | 178.6° |
| C13 | C14 | H11 | H12 | 119.1° | 120.4° |
| C14 | C13 | H9 | H10 | 119.6° | 120.0° |
| C14 | C13 | C12 | H8 | 57.2° | 58.7° |
| C14 | N1 | C9 | O | 176.1° | 179.7° |
| N1 | C14 | H11 | H12 | 119.1° | 120.3° |
| N1 | C14 | C13 | H9 | 64.8° | 174.6° |
| N1 | C14 | C13 | H10 | 175.4° | 65.4° |
| C14 | N1 | C10 | H4 | 175.5° | 173.1° |
| C14 | N1 | C10 | H5 | 65.1° | 66.5° |
| C12 | N2 | N3 | C17 | 177.1° | 179.8° |
| C12 | N2 | N3 | C15 | 176.8° | 179.8° |
| C12 | N2 | C17 | C16 | 176.7° | 180.0° |
| N2 | C12 | C13 | H9 | 66.1° | 58.6° |
| N2 | C12 | C13 | H10 | 53.7° | 61.4° |
| C12 | N2 | C17 | H15 | 3.2° | 0.0° |
| N2 | C12 | C11 | H6 | 65.7° | 58.6° |
| N2 | C12 | C11 | H7 | 54.1° | 61.4° |
| N2 | N3 | C15 | C16 | 0.3° | 0.4° |
| N3 | N2 | C17 | C16 | 0.2° | 0.3° |
| N3 | N2 | C12 | H8 | 0.9° | 25.0° |
| N3 | N2 | C17 | H15 | 179.8° | 179.8° |
| N2 | N3 | C15 | H13 | 179.7° | 179.9° |
| N3 | C15 | C16 | H13 | 180.0° | 179.7° |
| N3 | C15 | C16 | C17 | 0.2° | 0.2° |
| C15 | N3 | N2 | C17 | 0.3° | 0.4° |
| N3 | C15 | C16 | H14 | 179.8° | 179.7° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | N2 | 0.0° | 0.0° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C16 | C17 | N2 | H15 | 180.0° | 179.9° |
| C17 | C16 | C15 | H13 | 179.9° | 180.0° |
| C17 | N2 | C12 | H8 | 175.8° | 154.7° |
| N2 | C17 | C16 | H14 | 180.0° | 180.0° |
| C6 | C18 | N4 | O1 | 179.2° | 179.8° |
| C6 | C18 | N4 | C19 | 165.7° | 173.8° |
| C6 | C18 | N4 | C23 | 15.5° | 5.9° |
| C18 | C6 | C7 | H3 | 0.3° | 0.0° |
| C18 | N4 | C19 | C23 | 178.9° | 179.8° |
| C18 | N4 | C19 | C20 | 124.3° | 126.3° |
| C18 | N4 | C23 | C22 | 123.5° | 126.3° |
| C18 | N4 | C23 | H24 | 116.4° | 6.6° |
| C18 | N4 | C23 | H25 | 3.3° | 113.7° |
| C18 | N4 | C19 | H16 | 115.4° | 113.9° |
| C18 | N4 | C19 | H17 | 4.0° | 6.6° |
| N4 | C19 | C20 | H16 | 120.3° | 119.7° |
| N4 | C19 | C20 | H17 | 120.3° | 119.7° |
| N4 | C19 | C20 | C21 | 54.4° | 54.9° |
| C19 | N4 | C23 | C22 | 57.7° | 53.9° |
| C19 | N4 | C18 | O1 | 13.4° | 6.4° |
| C19 | N4 | C23 | H24 | 62.5° | 173.6° |
| C19 | N4 | C23 | H25 | 177.8° | 66.1° |
| N4 | C19 | C20 | H18 | 174.7° | 65.1° |
| N4 | C19 | C20 | H19 | 65.8° | 174.8° |
| N4 | C19 | H16 | H17 | 119.2° | 120.4° |
| C19 | C20 | C21 | H18 | 120.2° | 120.1° |
| C19 | C20 | C21 | H19 | 120.2° | 119.9° |
| C19 | C20 | C21 | C22 | 54.0° | 61.5° |
| C20 | C19 | N4 | C23 | 56.8° | 53.9° |
| C19 | C20 | C21 | H20 | 66.2° | 178.5° |
| C19 | C20 | C21 | H21 | 174.1° | 58.5° |
| C19 | C20 | H18 | H19 | 119.3° | 120.1° |
| C20 | C19 | H16 | H17 | 119.2° | 120.6° |
| C20 | C21 | C22 | H20 | 120.2° | 120.0° |
| C20 | C21 | C22 | H21 | 120.2° | 120.0° |
| C20 | C21 | C22 | C23 | 55.2° | 61.4° |
| C20 | C21 | C22 | H22 | 175.4° | 58.6° |
| C20 | C21 | C22 | H23 | 65.1° | 178.7° |
| C20 | C21 | H20 | H21 | 119.4° | 120.0° |
| C21 | C20 | H18 | H19 | 119.3° | 120.0° |
| C21 | C20 | C19 | H16 | 65.8° | 64.9° |
| C21 | C20 | C19 | H17 | 174.7° | 174.5° |
| C21 | C22 | C23 | H22 | 120.2° | 119.9° |
| C21 | C22 | C23 | H23 | 120.2° | 120.0° |
| C21 | C22 | C23 | N4 | 56.5° | 54.6° |
| C21 | C22 | C23 | H24 | 63.7° | 174.4° |
| C21 | C22 | C23 | H25 | 176.6° | 65.2° |
| C21 | C22 | H22 | H23 | 119.4° | 120.1° |
| C22 | C21 | H20 | H21 | 119.5° | 120.0° |
| C22 | C21 | C20 | H18 | 174.2° | 58.6° |
| C22 | C21 | C20 | H19 | 66.2° | 178.6° |
| C22 | C23 | N4 | H24 | 120.2° | 119.8° |
| C22 | C23 | N4 | H25 | 120.1° | 119.9° |
| C22 | C23 | H24 | H25 | 119.6° | 120.5° |
| C23 | C22 | H22 | H23 | 119.4° | 120.1° |
| C23 | C22 | C21 | H20 | 65.0° | 178.6° |
| C23 | C22 | C21 | H21 | 175.3° | 58.6° |
| C23 | N4 | C18 | O1 | 165.3° | 173.9° |
| N4 | C23 | H24 | H25 | 119.6° | 120.2° |
| N4 | C23 | C22 | H22 | 176.7° | 65.3° |
| N4 | C23 | C22 | H23 | 63.7° | 174.6° |
| C23 | N4 | C19 | H16 | 63.5° | 65.9° |
| C23 | N4 | C19 | H17 | 177.1° | 173.6° |
| C3 | O2 | C24 | C25 | 80.3° | 180.0° |
| O2 | C3 | C4 | H2 | 0.4° | 0.0° |
| O2 | C3 | C2 | H1 | 1.8° | 0.0° |
| C3 | O2 | C24 | H26 | 40.5° | 60.0° |
| C3 | O2 | C24 | H27 | 158.9° | 60.0° |
| O2 | C24 | C25 | H26 | 120.8° | 120.0° |
| O2 | C24 | C25 | H27 | 120.8° | 120.1° |
| O2 | C24 | C25 | C26 | 170.0° | 90.0° |
| O2 | C24 | C25 | C30 | 13.6° | 89.7° |
| O2 | C24 | H26 | H27 | 117.6° | 120.1° |
| C24 | C25 | C26 | C30 | 176.5° | 179.7° |
| C24 | C25 | C26 | C27 | 174.9° | 179.8° |
| C24 | C25 | C30 | C29 | 173.3° | 180.0° |
| C25 | C24 | H26 | H27 | 117.6° | 119.9° |
| C24 | C25 | C30 | H30 | 6.7° | 0.1° |
| C24 | C25 | C26 | H28 | 5.1° | 0.0° |
| C25 | C26 | C27 | H28 | 180.0° | 179.8° |
| C25 | C26 | C27 | C28 | 1.3° | 0.5° |
| C26 | C25 | C30 | C29 | 3.1° | 0.3° |
| C26 | C25 | C24 | H26 | 69.2° | 30.0° |
| C26 | C25 | C24 | H27 | 49.2° | 149.9° |
| C26 | C25 | C30 | H30 | 176.9° | 179.8° |
| C25 | C26 | C27 | H29 | 178.7° | 179.8° |
| C26 | C27 | C28 | H29 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 2.8° | 0.2° |
| C27 | C26 | C25 | C30 | 1.7° | 0.5° |
| C26 | C27 | C28 | S | 175.5° | 179.8° |
| C27 | C28 | C29 | S | 178.6° | 180.0° |
| C27 | C28 | C29 | C30 | 1.3° | 0.0° |
| C27 | C28 | C29 | N5 | 179.3° | 180.0° |
| C27 | C28 | S | N6 | 178.8° | 180.0° |
| C28 | C27 | C26 | H28 | 178.7° | 179.8° |
| C28 | C29 | C30 | N5 | 177.6° | 180.0° |
| C28 | C29 | C30 | C25 | 1.6° | 0.0° |
| C28 | C29 | N5 | N6 | 0.6° | 0.0° |
| C29 | C28 | S | N6 | 0.4° | 0.0° |
| C28 | C29 | C30 | H30 | 178.3° | 180.0° |
| C29 | C28 | C27 | H29 | 177.2° | 180.0° |
| C29 | C30 | C25 | H30 | 180.0° | 180.0° |
| C30 | C29 | N5 | N6 | 177.1° | 180.0° |
| C30 | C29 | C28 | S | 177.3° | 180.0° |
| C25 | C30 | C29 | N5 | 176.0° | 180.0° |
| C30 | C25 | C24 | H26 | 107.2° | 150.3° |
| C30 | C25 | C24 | H27 | 134.4° | 30.3° |
| C30 | C25 | C26 | H28 | 178.3° | 179.7° |
| C29 | N5 | N6 | S | 0.3° | 0.0° |
| N5 | C29 | C28 | S | 0.6° | 0.0° |
| N5 | C29 | C30 | H30 | 4.1° | 0.0° |
| N5 | N6 | S | C28 | 0.1° | 0.0° |
| S | C28 | C27 | H29 | 4.6° | 0.0° |
| H24 | C23 | C22 | H22 | 56.5° | 54.5° |
| H24 | C23 | C22 | H23 | 176.1° | 65.6° |
| H25 | C23 | C22 | H22 | 63.2° | 174.9° |
| H25 | C23 | C22 | H23 | 56.4° | 54.8° |
| H22 | C22 | C21 | H20 | 55.2° | 61.5° |
| H22 | C22 | C21 | H21 | 64.5° | 178.6° |
| H23 | C22 | C21 | H20 | 174.8° | 58.6° |
| H23 | C22 | C21 | H21 | 55.1° | 61.3° |
| H20 | C21 | C20 | H18 | 54.0° | 61.4° |
| H20 | C21 | C20 | H19 | 173.6° | 58.6° |
| H21 | C21 | C20 | H18 | 65.6° | 178.6° |
| H21 | C21 | C20 | H19 | 53.9° | 61.4° |
| H18 | C20 | C19 | H16 | 54.4° | 175.2° |
| H18 | C20 | C19 | H17 | 65.1° | 54.5° |
| H19 | C20 | C19 | H16 | 173.9° | 55.0° |
| H19 | C20 | C19 | H17 | 54.5° | 65.6° |
| H11 | C14 | C13 | H9 | 55.5° | 54.9° |
| H11 | C14 | C13 | H10 | 64.2° | 174.8° |
| H12 | C14 | C13 | H9 | 174.9° | 65.5° |
| H12 | C14 | C13 | H10 | 55.1° | 54.5° |
| H9 | C13 | C12 | H8 | 177.3° | 61.3° |
| H10 | C13 | C12 | H8 | 62.9° | 178.7° |
| H8 | C12 | C11 | H6 | 176.7° | 61.3° |
| H8 | C12 | C11 | H7 | 63.5° | 178.7° |
| H15 | C17 | C16 | H14 | 0.0° | 0.1° |
| H14 | C16 | C15 | H13 | 0.2° | 0.0° |
| H6 | C11 | C10 | H4 | 56.6° | 65.7° |
| H6 | C11 | C10 | H5 | 176.0° | 54.6° |
| H7 | C11 | C10 | H4 | 63.2° | 54.4° |
| H7 | C11 | C10 | H5 | 56.3° | 174.7° |
| H1 | C2 | C1 | H | 2.4° | 0.5° |
| H29 | C27 | C26 | H28 | 1.3° | 0.0° |
