EX3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | doub | 1.33Å | 1.34Å | Aromatic |
| N | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.41Å | 1.45Å | Aromatic |
| C | C2 | doub | 1.40Å | 1.46Å | Aromatic |
| C | N2 | sing | 1.35Å | 1.32Å | Aromatic |
| O | C3 | sing | 1.36Å | 1.36Å | |
| O | C5 | sing | 1.43Å | 1.42Å | |
| C1 | N3 | sing | 1.37Å | 1.32Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C19 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.37Å | Aromatic |
| C14 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C4 | sing | 1.48Å | 1.48Å | |
| C15 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | F | sing | 1.35Å | 1.33Å | |
| C18 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| C2 | C26 | sing | 1.51Å | 1.49Å | |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | C22 | sing | 1.56Å | 1.46Å | |
| C20 | N5 | sing | 1.48Å | 1.48Å | |
| C21 | C23 | sing | 1.56Å | 1.54Å | |
| C21 | C25 | sing | 1.57Å | 1.51Å | |
| C21 | N5 | sing | 1.50Å | 1.49Å | |
| C22 | C25 | sing | 1.57Å | 1.45Å | |
| C22 | N6 | sing | 1.50Å | 1.40Å | |
| C23 | N6 | sing | 1.48Å | 1.47Å | |
| C24 | N6 | sing | 1.47Å | 1.46Å | |
| C3 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | N2 | doub | 1.31Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | N3 | sing | 1.46Å | 1.45Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | C3 | 120.4° | 120.4° |
| N | C1 | C | 119.0° | 119.0° |
| N | C1 | N3 | 134.6° | 134.8° |
| N | C3 | O | 118.0° | 118.8° |
| N | C3 | N1 | 123.4° | 122.3° |
| C1 | C | C2 | 117.9° | 118.3° |
| C1 | C | N2 | 106.7° | 107.2° |
| C | C1 | N3 | 106.3° | 106.1° |
| C2 | C | N2 | 135.4° | 134.5° |
| C | C2 | C26 | 120.8° | 120.6° |
| C | C2 | N1 | 117.6° | 118.7° |
| C | N2 | C4 | 107.8° | 109.5° |
| C3 | O | C5 | 119.0° | 117.0° |
| O | C3 | N1 | 118.6° | 118.9° |
| O | C5 | C6 | 106.9° | 109.5° |
| O | C5 | H23 | 110.1° | 109.5° |
| O | C5 | H24 | 110.1° | 109.5° |
| C1 | N3 | C4 | 108.5° | 107.4° |
| C1 | N3 | C7 | 124.4° | 126.3° |
| C11 | C10 | C9 | 120.3° | 120.0° |
| C10 | C11 | C13 | 119.9° | 120.0° |
| C10 | C11 | C19 | 119.2° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C9 | C8 | 120.0° | 120.0° |
| C9 | C10 | H1 | 119.9° | 120.0° |
| C10 | C9 | H30 | 120.0° | 120.0° |
| C13 | C11 | C19 | 120.8° | 120.0° |
| C11 | C13 | C12 | 119.8° | 120.0° |
| C11 | C13 | H3 | 120.1° | 120.0° |
| C11 | C19 | N5 | 110.5° | 109.5° |
| C11 | C19 | H7 | 109.2° | 109.5° |
| C11 | C19 | H8 | 109.2° | 109.5° |
| C13 | C12 | C8 | 120.0° | 120.0° |
| C13 | C12 | H2 | 120.0° | 120.0° |
| C12 | C13 | H3 | 120.1° | 120.0° |
| C12 | C8 | C7 | 120.8° | 120.0° |
| C12 | C8 | C9 | 120.0° | 120.0° |
| C8 | C12 | H2 | 120.0° | 120.0° |
| C15 | C14 | C16 | 119.3° | 118.9° |
| C15 | C14 | C4 | 114.0° | 120.5° |
| C14 | C15 | C17 | 119.2° | 118.3° |
| C14 | C15 | H4 | 120.4° | 120.9° |
| C16 | C14 | C4 | 126.6° | 120.5° |
| C14 | C16 | N4 | 120.2° | 120.6° |
| C14 | C16 | H5 | 119.9° | 119.7° |
| C14 | C4 | N2 | 121.8° | 125.1° |
| C14 | C4 | N3 | 127.3° | 125.1° |
| C15 | C17 | C18 | 119.8° | 119.2° |
| C15 | C17 | F | 118.6° | 120.3° |
| C17 | C15 | H4 | 120.4° | 120.8° |
| C16 | N4 | C18 | 121.2° | 121.9° |
| N4 | C16 | H5 | 119.9° | 119.7° |
| C18 | C17 | F | 121.5° | 120.4° |
| C17 | C18 | N4 | 120.2° | 121.1° |
| C17 | C18 | H6 | 119.9° | 119.5° |
| N4 | C18 | H6 | 119.9° | 119.4° |
| C19 | N5 | C20 | 111.3° | 111.0° |
| C19 | N5 | C21 | 111.6° | 111.0° |
| N5 | C19 | H7 | 109.2° | 109.4° |
| N5 | C19 | H8 | 109.2° | 109.5° |
| C26 | C2 | N1 | 121.5° | 120.7° |
| C2 | C26 | H20 | 109.5° | 109.5° |
| C2 | C26 | H21 | 109.5° | 109.4° |
| C2 | C26 | H22 | 109.5° | 109.5° |
| C2 | N1 | C3 | 121.7° | 121.3° |
| C22 | C20 | N5 | 85.9° | 105.1° |
| C20 | C22 | C25 | 111.6° | 99.7° |
| C20 | C22 | N6 | 127.0° | 104.1° |
| C22 | C20 | H9 | 115.0° | 110.3° |
| C22 | C20 | H10 | 115.0° | 110.3° |
| C20 | C22 | H12 | 98.1° | 116.3° |
| C20 | N5 | C21 | 105.8° | 106.0° |
| N5 | C20 | H9 | 115.0° | 110.3° |
| N5 | C20 | H10 | 115.0° | 110.3° |
| C23 | C21 | C25 | 101.5° | 99.6° |
| C23 | C21 | N5 | 106.8° | 104.1° |
| C21 | C23 | N6 | 104.6° | 105.1° |
| C23 | C21 | H11 | 114.0° | 116.2° |
| C21 | C23 | H13 | 110.7° | 110.3° |
| C21 | C23 | H14 | 110.7° | 110.3° |
| C25 | C21 | N5 | 104.0° | 101.0° |
| C21 | C25 | C22 | 75.2° | 94.3° |
| C25 | C21 | H11 | 114.4° | 116.5° |
| C21 | C25 | H18 | 117.2° | 112.4° |
| C21 | C25 | H19 | 117.2° | 112.3° |
| N5 | C21 | H11 | 114.7° | 116.8° |
| C25 | C22 | N6 | 115.2° | 101.0° |
| C25 | C22 | H12 | 98.2° | 116.5° |
| C22 | C25 | H18 | 117.2° | 112.4° |
| C22 | C25 | H19 | 117.2° | 112.3° |
| C22 | N6 | C23 | 87.5° | 106.0° |
| C22 | N6 | C24 | 110.5° | 111.0° |
| N6 | C22 | H12 | 98.5° | 116.7° |
| C23 | N6 | C24 | 108.8° | 111.0° |
| N6 | C23 | H13 | 110.7° | 110.3° |
| N6 | C23 | H14 | 110.7° | 110.4° |
| N6 | C24 | H15 | 109.5° | 109.5° |
| N6 | C24 | H16 | 109.5° | 109.5° |
| N6 | C24 | H17 | 109.5° | 109.5° |
| N2 | C4 | N3 | 110.7° | 109.7° |
| C4 | N3 | C7 | 127.0° | 126.3° |
| C6 | C5 | H23 | 110.1° | 109.5° |
| C6 | C5 | H24 | 110.1° | 109.5° |
| C5 | C6 | H25 | 109.5° | 109.5° |
| C5 | C6 | H26 | 109.4° | 109.5° |
| C5 | C6 | H27 | 109.5° | 109.5° |
| C8 | C7 | N3 | 108.0° | 109.5° |
| C7 | C8 | C9 | 119.1° | 120.0° |
| C8 | C7 | H28 | 109.8° | 109.4° |
| C8 | C7 | H29 | 109.8° | 109.4° |
| N3 | C7 | H28 | 109.8° | 109.5° |
| N3 | C7 | H29 | 109.8° | 109.6° |
| C8 | C9 | H30 | 120.0° | 120.0° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 110.4° |
| H13 | C23 | H14 | 109.5° | 110.4° |
| H15 | C24 | H16 | 109.5° | 109.4° |
| H15 | C24 | H17 | 109.4° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 112.0° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H22 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.4° |
| H23 | C5 | H24 | 109.5° | 109.4° |
| H25 | C6 | H26 | 109.4° | 109.5° |
| H25 | C6 | H27 | 109.5° | 109.4° |
| H26 | C6 | H27 | 109.5° | 109.5° |
| H28 | C7 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C | N3 | 179.3° | 179.9° |
| N | C1 | C | C2 | 0.5° | 0.0° |
| N | C1 | C | N2 | 179.7° | 180.0° |
| C1 | N | C3 | O | 179.4° | 180.0° |
| C1 | N | C3 | N1 | 0.2° | 0.0° |
| N | C1 | N3 | C4 | 179.2° | 179.9° |
| N | C1 | N3 | C7 | 0.4° | 0.1° |
| C3 | N | C1 | C | 0.4° | 0.0° |
| N | C3 | O | N1 | 179.7° | 180.0° |
| N | C3 | O | C5 | 5.2° | 180.0° |
| C3 | N | C1 | N3 | 179.5° | 179.9° |
| N | C3 | N1 | C2 | 0.1° | 0.0° |
| C1 | C | C2 | N2 | 179.8° | 180.0° |
| C1 | C | C2 | C26 | 179.7° | 180.0° |
| C1 | C | C2 | N1 | 0.3° | 0.0° |
| C1 | C | N2 | C4 | 0.9° | 0.0° |
| C | C1 | N3 | C4 | 1.6° | 0.0° |
| C | C1 | N3 | C7 | 179.5° | 180.0° |
| C2 | C | C1 | N3 | 179.7° | 180.0° |
| C | C2 | C26 | N1 | 180.0° | 180.0° |
| C | C2 | N1 | C3 | 0.1° | 0.0° |
| C2 | C | N2 | C4 | 178.8° | 180.0° |
| C | C2 | C26 | H20 | 180.0° | 90.0° |
| C | C2 | C26 | H21 | 60.0° | 150.0° |
| C | C2 | C26 | H22 | 60.0° | 30.1° |
| N2 | C | C1 | N3 | 0.4° | 0.0° |
| C | N2 | C4 | C14 | 176.6° | 180.0° |
| N2 | C | C2 | C26 | 0.1° | 0.0° |
| N2 | C | C2 | N1 | 179.9° | 180.0° |
| C | N2 | C4 | N3 | 2.0° | 0.0° |
| O | C3 | N1 | C2 | 179.6° | 180.0° |
| C3 | O | C5 | C6 | 179.2° | 180.0° |
| C3 | O | C5 | H23 | 61.2° | 59.9° |
| C3 | O | C5 | H24 | 59.6° | 60.0° |
| C5 | O | C3 | N1 | 175.1° | 0.0° |
| O | C5 | C6 | H23 | 119.6° | 120.0° |
| O | C5 | C6 | H24 | 119.6° | 120.0° |
| O | C5 | H23 | H24 | 121.2° | 120.0° |
| O | C5 | C6 | H25 | 180.0° | 60.0° |
| O | C5 | C6 | H26 | 60.0° | 180.0° |
| O | C5 | C6 | H27 | 60.0° | 60.0° |
| C1 | N3 | C4 | C14 | 176.6° | 180.0° |
| C1 | N3 | C4 | N2 | 2.3° | 0.0° |
| C1 | N3 | C4 | C7 | 178.8° | 180.0° |
| C1 | N3 | C7 | C8 | 109.0° | 105.5° |
| C1 | N3 | C7 | H28 | 131.2° | 134.6° |
| C1 | N3 | C7 | H29 | 10.7° | 14.5° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C10 | C11 | C13 | C19 | 179.1° | 180.0° |
| C10 | C11 | C13 | C12 | 0.7° | 0.0° |
| C10 | C11 | C19 | N5 | 136.7° | 90.0° |
| C11 | C10 | C9 | C8 | 0.8° | 0.0° |
| C10 | C11 | C13 | H3 | 179.3° | 179.9° |
| C10 | C11 | C19 | H7 | 16.5° | 150.0° |
| C10 | C11 | C19 | H8 | 103.2° | 30.0° |
| C11 | C10 | C9 | H30 | 179.2° | 179.9° |
| C9 | C10 | C11 | C13 | 0.8° | 0.0° |
| C9 | C10 | C11 | C19 | 179.8° | 180.0° |
| C10 | C9 | C8 | C12 | 0.7° | 0.0° |
| C10 | C9 | C8 | C7 | 180.0° | 180.0° |
| C10 | C9 | C8 | H30 | 180.0° | 179.9° |
| C11 | C13 | C12 | H3 | 180.0° | 179.9° |
| C11 | C13 | C12 | C8 | 0.6° | 0.1° |
| C13 | C11 | C19 | N5 | 44.3° | 90.0° |
| C13 | C11 | C10 | H1 | 179.2° | 179.7° |
| C11 | C13 | C12 | H2 | 179.4° | 180.0° |
| C13 | C11 | C19 | H7 | 164.4° | 30.0° |
| C13 | C11 | C19 | H8 | 75.9° | 150.0° |
| C19 | C11 | C13 | C12 | 179.7° | 179.9° |
| C11 | C19 | N5 | H7 | 120.2° | 120.0° |
| C11 | C19 | N5 | H8 | 120.1° | 120.0° |
| C11 | C19 | N5 | C20 | 171.8° | 69.9° |
| C11 | C19 | N5 | C21 | 70.2° | 172.5° |
| C19 | C11 | C10 | H1 | 0.1° | 0.3° |
| C19 | C11 | C13 | H3 | 0.2° | 0.0° |
| C11 | C19 | H7 | H8 | 119.5° | 120.0° |
| C13 | C12 | C8 | H2 | 180.0° | 179.9° |
| C13 | C12 | C8 | C7 | 179.9° | 179.9° |
| C13 | C12 | C8 | C9 | 0.6° | 0.1° |
| C12 | C8 | C7 | C9 | 179.3° | 180.0° |
| C12 | C8 | C7 | N3 | 131.7° | 83.1° |
| C8 | C12 | C13 | H3 | 179.4° | 180.0° |
| C12 | C8 | C7 | H28 | 12.0° | 156.9° |
| C12 | C8 | C7 | H29 | 108.5° | 37.0° |
| C12 | C8 | C9 | H30 | 179.3° | 180.0° |
| C15 | C14 | C16 | C4 | 177.2° | 179.7° |
| C14 | C15 | C17 | H4 | 180.0° | 179.9° |
| C15 | C14 | C16 | N4 | 0.6° | 0.0° |
| C14 | C15 | C17 | C18 | 0.4° | 0.0° |
| C14 | C15 | C17 | F | 179.2° | 179.9° |
| C15 | C14 | C4 | N2 | 38.7° | 33.9° |
| C15 | C14 | C4 | N3 | 134.9° | 146.1° |
| C15 | C14 | C16 | H5 | 179.4° | 179.9° |
| C16 | C14 | C15 | C17 | 0.8° | 0.0° |
| C14 | C16 | N4 | H5 | 180.0° | 179.9° |
| C14 | C16 | N4 | C18 | 0.0° | 0.0° |
| C16 | C14 | C4 | N2 | 143.9° | 146.4° |
| C16 | C14 | C4 | N3 | 42.4° | 33.6° |
| C16 | C14 | C15 | H4 | 179.2° | 179.9° |
| C4 | C14 | C15 | C17 | 178.3° | 179.7° |
| C4 | C14 | C16 | N4 | 177.8° | 179.7° |
| C14 | C4 | N2 | N3 | 174.6° | 180.0° |
| C14 | C4 | N3 | C7 | 4.6° | 0.1° |
| C4 | C14 | C15 | H4 | 1.7° | 0.4° |
| C4 | C14 | C16 | H5 | 2.2° | 0.2° |
| C15 | C17 | C18 | F | 179.6° | 180.0° |
| C15 | C17 | C18 | N4 | 0.1° | 0.0° |
| C15 | C17 | C18 | H6 | 179.9° | 180.0° |
| C16 | N4 | C18 | C17 | 0.3° | 0.1° |
| C16 | N4 | C18 | H6 | 179.7° | 180.0° |
| C17 | C18 | N4 | H6 | 180.0° | 180.0° |
| C18 | C17 | C15 | H4 | 179.6° | 179.9° |
| F | C17 | C18 | N4 | 179.7° | 180.0° |
| F | C17 | C15 | H4 | 0.8° | 0.0° |
| F | C17 | C18 | H6 | 0.3° | 0.1° |
| C18 | N4 | C16 | H5 | 180.0° | 180.0° |
| C19 | N5 | C20 | C22 | 132.5° | 118.8° |
| C19 | N5 | C20 | C21 | 121.5° | 120.6° |
| C19 | N5 | C21 | C23 | 164.2° | 172.5° |
| C19 | N5 | C21 | C25 | 89.0° | 84.6° |
| N5 | C19 | H7 | H8 | 119.5° | 119.9° |
| C19 | N5 | C20 | H9 | 111.8° | 122.3° |
| C19 | N5 | C20 | H10 | 16.7° | 0.2° |
| C19 | N5 | C21 | H11 | 36.8° | 42.9° |
| C26 | C2 | N1 | C3 | 179.8° | 180.0° |
| C2 | C26 | H20 | H21 | 120.0° | 120.0° |
| C2 | C26 | H20 | H22 | 120.0° | 120.1° |
| C2 | C26 | H21 | H22 | 120.0° | 120.0° |
| N1 | C2 | C26 | H20 | 0.0° | 90.0° |
| N1 | C2 | C26 | H21 | 120.0° | 30.0° |
| N1 | C2 | C26 | H22 | 120.0° | 149.9° |
| C22 | C20 | N5 | H9 | 115.7° | 118.9° |
| C22 | C20 | N5 | H10 | 115.7° | 118.9° |
| C20 | C22 | C25 | C21 | 77.0° | 52.1° |
| C22 | C20 | N5 | C21 | 11.0° | 1.8° |
| C20 | C22 | C25 | N6 | 154.4° | 106.6° |
| C20 | C22 | C25 | H12 | 102.1° | 126.0° |
| C20 | C22 | N6 | H12 | 106.9° | 129.7° |
| C20 | C22 | N6 | C23 | 92.8° | 66.9° |
| C20 | C22 | N6 | C24 | 16.4° | 53.7° |
| C22 | C20 | H9 | H10 | 131.3° | 122.2° |
| C20 | C22 | C25 | H18 | 169.7° | 168.4° |
| C20 | C22 | C25 | H19 | 36.4° | 64.2° |
| C20 | N5 | C21 | C23 | 74.6° | 66.9° |
| C20 | N5 | C21 | C25 | 32.3° | 36.0° |
| N5 | C20 | C22 | C25 | 60.9° | 32.9° |
| N5 | C20 | C22 | N6 | 89.9° | 71.1° |
| C20 | N5 | C19 | H7 | 68.1° | 170.1° |
| C20 | N5 | C19 | H8 | 51.6° | 50.1° |
| N5 | C20 | H9 | H10 | 131.2° | 122.1° |
| C20 | N5 | C21 | H11 | 158.0° | 163.5° |
| N5 | C20 | C22 | H12 | 163.0° | 158.9° |
| C23 | C21 | C25 | N5 | 110.8° | 106.5° |
| C23 | C21 | C25 | H11 | 123.2° | 125.8° |
| C23 | C21 | N5 | H11 | 127.4° | 129.6° |
| C23 | C21 | C25 | C22 | 55.5° | 52.1° |
| C21 | C23 | N6 | C22 | 5.5° | 1.8° |
| C21 | C23 | N6 | H13 | 119.2° | 118.9° |
| C21 | C23 | N6 | H14 | 119.2° | 118.9° |
| C21 | C23 | N6 | C24 | 116.3° | 122.5° |
| C21 | C23 | H13 | H14 | 122.3° | 122.1° |
| C23 | C21 | C25 | H18 | 57.9° | 64.2° |
| C23 | C21 | C25 | H19 | 168.9° | 168.4° |
| C25 | C21 | N5 | H11 | 125.8° | 127.4° |
| C21 | C25 | C22 | H18 | 113.3° | 116.4° |
| C21 | C25 | C22 | H19 | 113.3° | 116.3° |
| C21 | C25 | C22 | N6 | 77.5° | 54.5° |
| C25 | C21 | C23 | N6 | 37.6° | 32.9° |
| C21 | C25 | C22 | H12 | 179.1° | 178.0° |
| C25 | C21 | C23 | H13 | 156.8° | 151.8° |
| C25 | C21 | C23 | H14 | 81.6° | 86.0° |
| C21 | C25 | H18 | H19 | 136.6° | 127.6° |
| N5 | C21 | C25 | C22 | 55.3° | 54.4° |
| N5 | C21 | C23 | N6 | 71.0° | 71.1° |
| C21 | N5 | C19 | H7 | 49.9° | 52.4° |
| C21 | N5 | C19 | H8 | 169.6° | 67.5° |
| C21 | N5 | C20 | H9 | 126.8° | 117.1° |
| C21 | N5 | C20 | H10 | 104.7° | 120.8° |
| N5 | C21 | C23 | H13 | 48.2° | 47.8° |
| N5 | C21 | C23 | H14 | 169.7° | 170.0° |
| N5 | C21 | C25 | H18 | 168.7° | 170.8° |
| N5 | C21 | C25 | H19 | 58.0° | 61.8° |
| C25 | C22 | N6 | H12 | 103.2° | 127.3° |
| C25 | C22 | N6 | C23 | 57.0° | 36.1° |
| C25 | C22 | N6 | C24 | 166.2° | 156.7° |
| C25 | C22 | C20 | H9 | 176.6° | 151.7° |
| C25 | C22 | C20 | H10 | 54.8° | 86.1° |
| C22 | C25 | C21 | H11 | 178.7° | 178.0° |
| C22 | C25 | H18 | H19 | 136.7° | 127.5° |
| C22 | N6 | C23 | C24 | 110.9° | 120.6° |
| N6 | C22 | C20 | H9 | 25.9° | 47.7° |
| N6 | C22 | C20 | H10 | 154.4° | 169.9° |
| C22 | N6 | C23 | H13 | 113.8° | 117.0° |
| C22 | N6 | C23 | H14 | 124.7° | 120.7° |
| C22 | N6 | C24 | H15 | 180.0° | 69.2° |
| C22 | N6 | C24 | H16 | 60.0° | 170.9° |
| C22 | N6 | C24 | H17 | 60.0° | 50.9° |
| N6 | C22 | C25 | H18 | 35.9° | 61.9° |
| N6 | C22 | C25 | H19 | 169.2° | 170.8° |
| N6 | C23 | C21 | H11 | 161.2° | 158.9° |
| C23 | N6 | C22 | H12 | 160.3° | 163.4° |
| N6 | C23 | H13 | H14 | 122.3° | 122.2° |
| C23 | N6 | C24 | H15 | 85.5° | 48.5° |
| C23 | N6 | C24 | H16 | 154.4° | 71.4° |
| C23 | N6 | C24 | H17 | 34.4° | 168.5° |
| C24 | N6 | C22 | H12 | 90.6° | 75.9° |
| C24 | N6 | C23 | H13 | 2.9° | 3.6° |
| C24 | N6 | C23 | H14 | 124.5° | 118.6° |
| N6 | C24 | H15 | H16 | 120.0° | 120.0° |
| N6 | C24 | H15 | H17 | 120.0° | 120.0° |
| N6 | C24 | H16 | H17 | 120.0° | 120.0° |
| N2 | C4 | N3 | C7 | 178.9° | 180.0° |
| C4 | N3 | C7 | C8 | 72.4° | 74.5° |
| C4 | N3 | C7 | H28 | 47.4° | 45.4° |
| C4 | N3 | C7 | H29 | 167.9° | 165.5° |
| C6 | C5 | H23 | H24 | 121.2° | 120.0° |
| C5 | C6 | H25 | H26 | 120.0° | 120.0° |
| C5 | C6 | H25 | H27 | 120.0° | 120.0° |
| C5 | C6 | H26 | H27 | 120.0° | 120.0° |
| C8 | C7 | N3 | H28 | 119.8° | 119.9° |
| C8 | C7 | N3 | H29 | 119.8° | 120.0° |
| C7 | C8 | C12 | H2 | 0.1° | 0.0° |
| C8 | C7 | H28 | H29 | 120.7° | 119.9° |
| C7 | C8 | C9 | H30 | 0.0° | 0.0° |
| N3 | C7 | C8 | C9 | 47.6° | 97.0° |
| N3 | C7 | H28 | H29 | 120.7° | 120.1° |
| C8 | C9 | C10 | H1 | 179.2° | 179.7° |
| C9 | C8 | C12 | H2 | 179.4° | 180.0° |
| C9 | C8 | C7 | H28 | 167.3° | 23.0° |
| C9 | C8 | C7 | H29 | 72.2° | 143.0° |
| H1 | C10 | C9 | H30 | 0.8° | 0.2° |
| H2 | C12 | C13 | H3 | 0.6° | 0.1° |
| H9 | C20 | C22 | H12 | 81.2° | 82.2° |
| H10 | C20 | C22 | H12 | 47.3° | 40.0° |
| H11 | C21 | C23 | H13 | 79.6° | 82.2° |
| H11 | C21 | C23 | H14 | 41.9° | 40.0° |
| H11 | C21 | C25 | H18 | 65.4° | 61.6° |
| H11 | C21 | C25 | H19 | 67.9° | 65.8° |
| H12 | C22 | C25 | H18 | 67.6° | 65.6° |
| H12 | C22 | C25 | H19 | 65.8° | 61.7° |
| H15 | C24 | H16 | H17 | 120.0° | 120.0° |
| H20 | C26 | H21 | H22 | 120.0° | 120.0° |
| H23 | C5 | C6 | H25 | 60.4° | 60.1° |
| H23 | C5 | C6 | H26 | 179.6° | 60.0° |
| H23 | C5 | C6 | H27 | 59.6° | 180.0° |
| H24 | C5 | C6 | H25 | 60.4° | 180.0° |
| H24 | C5 | C6 | H26 | 59.6° | 60.0° |
| H24 | C5 | C6 | H27 | 179.6° | 60.0° |
| H25 | C6 | H26 | H27 | 120.0° | 120.0° |
