V62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| BR1 | C17 | sing | 1.89Å | 1.90Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N5 | sing | 1.46Å | 1.46Å | |
| C19 | C24 | sing | 1.53Å | 1.52Å | |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| N5 | C18 | sing | 1.38Å | 1.36Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N3 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| N4 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| O | C | doub | 1.22Å | 1.22Å | |
| N3 | C9 | sing | 1.38Å | 1.35Å | |
| C9 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | C | sing | 1.47Å | 1.50Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | BR | sing | 1.89Å | 1.89Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| N2 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.47Å | |
| O2 | C6 | doub | 1.22Å | 1.20Å | |
| N1 | C6 | sing | 1.34Å | 1.34Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C6 | O1 | sing | 1.34Å | 1.35Å | |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| O1 | C5 | sing | 1.46Å | 1.45Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 111.3° | 109.5° |
| C21 | C20 | C19 | 111.4° | 109.4° |
| C20 | C21 | H22 | 109.0° | 109.5° |
| C20 | C21 | H23 | 109.0° | 109.5° |
| C21 | C20 | H24 | 109.0° | 109.5° |
| C21 | C20 | H25 | 109.0° | 109.5° |
| C21 | C22 | C23 | 110.8° | 109.5° |
| C21 | C22 | H20 | 109.2° | 109.5° |
| C21 | C22 | H21 | 109.1° | 109.5° |
| C22 | C21 | H22 | 109.0° | 109.5° |
| C22 | C21 | H23 | 109.0° | 109.5° |
| BR1 | C17 | C16 | 117.5° | 120.0° |
| BR1 | C17 | C11 | 120.3° | 120.0° |
| C20 | C19 | N5 | 109.4° | 109.4° |
| C20 | C19 | C24 | 110.8° | 109.5° |
| C20 | C19 | H15 | 107.9° | 109.4° |
| C19 | C20 | H24 | 109.0° | 109.5° |
| C19 | C20 | H25 | 109.0° | 109.5° |
| C22 | C23 | C24 | 111.4° | 109.5° |
| C22 | C23 | H18 | 109.0° | 109.5° |
| C22 | C23 | H19 | 109.0° | 109.5° |
| C23 | C22 | H20 | 109.1° | 109.4° |
| C23 | C22 | H21 | 109.1° | 109.5° |
| C16 | C17 | C11 | 122.2° | 120.0° |
| C17 | C16 | C14 | 121.3° | 120.0° |
| C17 | C16 | H9 | 119.3° | 120.0° |
| C17 | C11 | C10 | 122.4° | 120.0° |
| C17 | C11 | C12 | 116.6° | 120.0° |
| N5 | C19 | C24 | 112.0° | 109.5° |
| C19 | N5 | C18 | 127.1° | 120.0° |
| C19 | N5 | H8 | 104.9° | 120.0° |
| N5 | C19 | H15 | 108.7° | 109.5° |
| C19 | C24 | C23 | 111.2° | 109.5° |
| C24 | C19 | H15 | 107.9° | 109.4° |
| C19 | C24 | H16 | 109.0° | 109.4° |
| C19 | C24 | H17 | 109.0° | 109.4° |
| C16 | C14 | C15 | 120.3° | 120.0° |
| C16 | C14 | C13 | 116.7° | 120.0° |
| C14 | C16 | H9 | 119.4° | 120.0° |
| C23 | C24 | H16 | 109.1° | 109.5° |
| C23 | C24 | H17 | 109.0° | 109.5° |
| C24 | C23 | H18 | 109.0° | 109.4° |
| C24 | C23 | H19 | 109.0° | 109.4° |
| N5 | C18 | N4 | 118.0° | 120.6° |
| N5 | C18 | C7 | 121.2° | 120.6° |
| C18 | N5 | H8 | 104.9° | 120.0° |
| C11 | C10 | N3 | 114.9° | 109.5° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C11 | C10 | H3 | 108.1° | 109.5° |
| C11 | C10 | H4 | 108.1° | 109.5° |
| C10 | N3 | C9 | 123.3° | 120.0° |
| N3 | C10 | H3 | 108.1° | 109.5° |
| N3 | C10 | H4 | 108.1° | 109.4° |
| C10 | N3 | H7 | 105.9° | 120.0° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C11 | C12 | H13 | 119.6° | 120.0° |
| C18 | N4 | C9 | 118.3° | 120.8° |
| N4 | C18 | C7 | 119.7° | 118.8° |
| N4 | C9 | N3 | 117.1° | 119.0° |
| N4 | C9 | N2 | 126.3° | 122.1° |
| C18 | C7 | C | 125.0° | 120.9° |
| C18 | C7 | C8 | 115.7° | 118.2° |
| C15 | C14 | C13 | 122.9° | 120.0° |
| C14 | C15 | H10 | 109.5° | 109.4° |
| C14 | C15 | H11 | 109.4° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C13 | C12 | 122.5° | 120.0° |
| C14 | C13 | BR | 119.8° | 120.0° |
| O | C | C7 | 120.5° | 120.0° |
| O | C | N | 122.1° | 120.0° |
| N3 | C9 | N2 | 116.6° | 118.9° |
| C9 | N3 | H7 | 105.9° | 120.0° |
| C9 | N2 | C8 | 115.4° | 121.1° |
| C | C7 | C8 | 119.2° | 120.9° |
| C7 | C | N | 117.4° | 120.0° |
| C7 | C8 | N2 | 124.4° | 119.1° |
| C7 | C8 | H14 | 117.8° | 120.4° |
| C12 | C13 | BR | 117.7° | 120.0° |
| C13 | C12 | H13 | 119.7° | 120.0° |
| C | N | C1 | 121.9° | 120.0° |
| C | N | H26 | 119.1° | 120.0° |
| N2 | C8 | H14 | 117.8° | 120.5° |
| N | C1 | C2 | 112.3° | 109.5° |
| C1 | N | H26 | 119.1° | 120.0° |
| N | C1 | H27 | 108.8° | 109.4° |
| N | C1 | H28 | 108.8° | 109.5° |
| C1 | C2 | C3 | 114.4° | 109.5° |
| C1 | C2 | H1 | 108.2° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| C2 | C1 | H27 | 108.7° | 109.5° |
| C2 | C1 | H28 | 108.7° | 109.5° |
| C2 | C3 | N1 | 113.5° | 109.5° |
| C3 | C2 | H1 | 108.2° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H29 | 108.4° | 109.5° |
| C2 | C3 | H30 | 108.4° | 109.5° |
| C3 | N1 | C6 | 123.2° | 125.7° |
| C3 | N1 | C4 | 124.5° | 125.5° |
| N1 | C3 | H29 | 108.5° | 109.5° |
| N1 | C3 | H30 | 108.5° | 109.4° |
| O2 | C6 | N1 | 128.1° | 123.0° |
| O2 | C6 | O1 | 122.2° | 123.1° |
| C6 | N1 | C4 | 112.2° | 108.8° |
| N1 | C6 | O1 | 109.7° | 114.0° |
| N1 | C4 | C5 | 100.8° | 103.8° |
| N1 | C4 | H5 | 111.6° | 110.6° |
| N1 | C4 | H6 | 111.6° | 110.6° |
| C6 | O1 | C5 | 109.7° | 109.4° |
| C4 | C5 | O1 | 105.5° | 104.0° |
| C5 | C4 | H5 | 111.6° | 110.6° |
| C5 | C4 | H6 | 111.6° | 110.5° |
| C4 | C5 | H31 | 110.5° | 110.6° |
| C4 | C5 | H32 | 110.4° | 110.5° |
| O1 | C5 | H31 | 110.4° | 110.5° |
| O1 | C5 | H32 | 110.5° | 110.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 110.6° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.4° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.4° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H27 | C1 | H28 | 109.5° | 109.5° |
| H29 | C3 | H30 | 109.5° | 109.5° |
| H31 | C5 | H32 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H22 | 120.3° | 120.1° |
| C20 | C21 | C22 | H23 | 120.3° | 120.0° |
| C21 | C20 | C19 | H24 | 120.3° | 120.0° |
| C21 | C20 | C19 | H25 | 120.3° | 120.0° |
| C20 | C21 | C22 | C23 | 63.7° | 60.1° |
| C21 | C20 | C19 | N5 | 143.1° | 180.0° |
| C21 | C20 | C19 | C24 | 19.1° | 60.0° |
| C21 | C20 | C19 | H15 | 98.8° | 60.0° |
| C20 | C21 | C22 | H20 | 176.1° | 180.0° |
| C20 | C21 | C22 | H21 | 56.5° | 60.0° |
| C20 | C21 | H22 | H23 | 119.2° | 120.0° |
| C21 | C20 | H24 | H25 | 119.2° | 120.0° |
| C22 | C21 | C20 | C19 | 42.3° | 60.0° |
| C21 | C22 | C23 | H20 | 120.2° | 120.0° |
| C21 | C22 | C23 | H21 | 120.2° | 120.0° |
| C21 | C22 | C23 | C24 | 19.3° | 60.0° |
| C21 | C22 | C23 | H18 | 101.0° | 59.9° |
| C21 | C22 | C23 | H19 | 139.5° | 180.0° |
| C21 | C22 | H20 | H21 | 119.4° | 120.1° |
| C22 | C21 | H22 | H23 | 119.1° | 120.0° |
| C22 | C21 | C20 | H24 | 78.0° | 59.9° |
| C22 | C21 | C20 | H25 | 162.6° | 180.0° |
| BR1 | C17 | C16 | C11 | 178.4° | 179.7° |
| BR1 | C17 | C16 | C14 | 177.7° | 179.9° |
| BR1 | C17 | C11 | C10 | 1.4° | 0.0° |
| BR1 | C17 | C11 | C12 | 179.0° | 179.7° |
| BR1 | C17 | C16 | H9 | 2.3° | 0.1° |
| C20 | C19 | N5 | C24 | 123.3° | 120.0° |
| C20 | C19 | N5 | H15 | 117.6° | 120.0° |
| C20 | C19 | C24 | H15 | 118.0° | 119.9° |
| C20 | C19 | C24 | C23 | 63.4° | 60.0° |
| C20 | C19 | N5 | C18 | 155.0° | 85.0° |
| C20 | C19 | N5 | H8 | 82.6° | 95.0° |
| C20 | C19 | C24 | H16 | 176.3° | 180.0° |
| C20 | C19 | C24 | H17 | 56.9° | 60.1° |
| C19 | C20 | C21 | H22 | 78.0° | 60.0° |
| C19 | C20 | C21 | H23 | 162.5° | 180.0° |
| C19 | C20 | H24 | H25 | 119.1° | 120.0° |
| C22 | C23 | C24 | C19 | 42.0° | 60.0° |
| C22 | C23 | C24 | H18 | 120.3° | 120.0° |
| C22 | C23 | C24 | H19 | 120.3° | 120.0° |
| C22 | C23 | C24 | H16 | 162.3° | 180.0° |
| C22 | C23 | C24 | H17 | 78.2° | 60.0° |
| C22 | C23 | H18 | H19 | 119.1° | 120.0° |
| C23 | C22 | H20 | H21 | 119.4° | 120.0° |
| C23 | C22 | C21 | H22 | 56.6° | 60.0° |
| C23 | C22 | C21 | H23 | 176.0° | 180.0° |
| C17 | C16 | C14 | H9 | 180.0° | 180.0° |
| C16 | C17 | C11 | C10 | 179.7° | 179.7° |
| C16 | C17 | C11 | C12 | 0.7° | 0.6° |
| C17 | C16 | C14 | C15 | 175.2° | 180.0° |
| C17 | C16 | C14 | C13 | 2.0° | 0.0° |
| C11 | C17 | C16 | C14 | 0.6° | 0.3° |
| C17 | C11 | C10 | C12 | 179.5° | 179.7° |
| C17 | C11 | C10 | N3 | 146.8° | 80.0° |
| C17 | C11 | C12 | C13 | 0.6° | 0.6° |
| C17 | C11 | C10 | H3 | 26.0° | 40.0° |
| C17 | C11 | C10 | H4 | 92.4° | 160.0° |
| C11 | C17 | C16 | H9 | 179.4° | 179.7° |
| C17 | C11 | C12 | H13 | 179.4° | 179.8° |
| N5 | C19 | C24 | H15 | 119.6° | 120.1° |
| N5 | C19 | C24 | C23 | 174.1° | 180.0° |
| C19 | N5 | C18 | H8 | 122.3° | 180.0° |
| C19 | N5 | C18 | N4 | 77.4° | 5.3° |
| C19 | N5 | C18 | C7 | 114.6° | 174.6° |
| N5 | C19 | C24 | H16 | 53.9° | 60.0° |
| N5 | C19 | C24 | H17 | 65.6° | 59.9° |
| N5 | C19 | C20 | H24 | 96.6° | 60.0° |
| N5 | C19 | C20 | H25 | 22.8° | 60.0° |
| C19 | C24 | C23 | H16 | 120.3° | 120.0° |
| C19 | C24 | C23 | H17 | 120.3° | 120.0° |
| C24 | C19 | N5 | C18 | 31.7° | 155.0° |
| C24 | C19 | N5 | H8 | 154.1° | 25.0° |
| C19 | C24 | H16 | H17 | 119.2° | 119.9° |
| C19 | C24 | C23 | H18 | 162.3° | 60.0° |
| C19 | C24 | C23 | H19 | 78.2° | 180.0° |
| C24 | C19 | C20 | H24 | 139.4° | 60.0° |
| C24 | C19 | C20 | H25 | 101.2° | 180.0° |
| C16 | C14 | C15 | C13 | 177.0° | 180.0° |
| C16 | C14 | C13 | C12 | 2.1° | 0.0° |
| C16 | C14 | C13 | BR | 176.2° | 180.0° |
| C16 | C14 | C15 | H10 | 88.6° | 90.1° |
| C16 | C14 | C15 | H11 | 151.4° | 150.0° |
| C16 | C14 | C15 | H12 | 31.4° | 29.9° |
| C23 | C24 | C19 | H15 | 54.6° | 60.0° |
| C23 | C24 | H16 | H17 | 119.2° | 120.0° |
| C24 | C23 | H18 | H19 | 119.1° | 120.0° |
| C24 | C23 | C22 | H20 | 139.5° | 180.0° |
| C24 | C23 | C22 | H21 | 100.9° | 60.0° |
| N5 | C18 | N4 | C7 | 168.3° | 180.0° |
| N5 | C18 | N4 | C9 | 164.1° | 179.9° |
| N5 | C18 | C7 | C | 17.1° | 0.0° |
| N5 | C18 | C7 | C8 | 162.0° | 179.7° |
| C18 | N5 | C19 | H15 | 87.4° | 35.0° |
| C11 | C10 | N3 | H3 | 120.8° | 120.0° |
| C11 | C10 | N3 | H4 | 120.8° | 120.0° |
| C11 | C10 | N3 | C9 | 64.2° | 180.0° |
| C10 | C11 | C12 | C13 | 179.8° | 179.7° |
| C11 | C10 | H3 | H4 | 117.5° | 120.0° |
| C11 | C10 | N3 | H7 | 173.9° | 0.0° |
| C10 | C11 | C12 | H13 | 0.2° | 0.0° |
| N3 | C10 | C11 | C12 | 33.7° | 99.7° |
| C10 | N3 | C9 | N4 | 1.9° | 179.7° |
| C10 | N3 | C9 | H7 | 121.9° | 180.0° |
| C10 | N3 | C9 | N2 | 179.6° | 0.0° |
| N3 | C10 | H3 | H4 | 117.5° | 120.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.3° |
| C11 | C12 | C13 | H13 | 180.0° | 179.7° |
| C11 | C12 | C13 | BR | 177.5° | 179.7° |
| C12 | C11 | C10 | H3 | 154.5° | 140.2° |
| C12 | C11 | C10 | H4 | 87.1° | 20.3° |
| C18 | N4 | C9 | N3 | 177.9° | 180.0° |
| C18 | N4 | C9 | N2 | 0.4° | 0.4° |
| N4 | C18 | C7 | C | 175.0° | 180.0° |
| N4 | C18 | C7 | C8 | 5.9° | 0.2° |
| N4 | C18 | N5 | H8 | 160.3° | 174.7° |
| C9 | N4 | C18 | C7 | 4.1° | 0.1° |
| N4 | C9 | N3 | N2 | 178.5° | 179.6° |
| N4 | C9 | N2 | C8 | 2.8° | 0.3° |
| N4 | C9 | N3 | H7 | 123.8° | 0.3° |
| C18 | C7 | C | O | 31.2° | 6.0° |
| C18 | C7 | C | C8 | 179.1° | 179.7° |
| C18 | C7 | C | N | 149.7° | 174.1° |
| C18 | C7 | C8 | N2 | 3.6° | 0.3° |
| C7 | C18 | N5 | H8 | 7.8° | 5.4° |
| C18 | C7 | C8 | H14 | 176.4° | 179.8° |
| C15 | C14 | C13 | C12 | 175.0° | 180.0° |
| C15 | C14 | C13 | BR | 6.7° | 0.0° |
| C15 | C14 | C16 | H9 | 4.8° | 0.0° |
| C14 | C15 | H10 | H11 | 120.0° | 119.9° |
| C14 | C15 | H10 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C12 | BR | 178.3° | 180.0° |
| C13 | C14 | C16 | H9 | 178.0° | 180.0° |
| C13 | C14 | C15 | H10 | 88.4° | 90.0° |
| C13 | C14 | C15 | H11 | 31.6° | 29.9° |
| C13 | C14 | C15 | H12 | 151.6° | 150.0° |
| C14 | C13 | C12 | H13 | 179.2° | 179.9° |
| O | C | C7 | N | 179.1° | 180.0° |
| O | C | C7 | C8 | 147.8° | 174.3° |
| O | C | N | C1 | 57.0° | 0.0° |
| O | C | N | H26 | 123.0° | 180.0° |
| N3 | C9 | N2 | C8 | 175.5° | 180.0° |
| C9 | N3 | C10 | H3 | 56.6° | 60.0° |
| C9 | N3 | C10 | H4 | 175.0° | 60.0° |
| C9 | N2 | C8 | C7 | 0.6° | 0.0° |
| N2 | C9 | N3 | H7 | 57.7° | 180.0° |
| C9 | N2 | C8 | H14 | 179.5° | 179.9° |
| C | C7 | C8 | N2 | 177.3° | 180.0° |
| C7 | C | N | C1 | 122.0° | 180.0° |
| C | C7 | C8 | H14 | 2.8° | 0.1° |
| C7 | C | N | H26 | 58.0° | 0.0° |
| C8 | C7 | C | N | 31.2° | 5.7° |
| C7 | C8 | N2 | H14 | 180.0° | 179.9° |
| BR | C13 | C12 | H13 | 2.5° | 0.1° |
| C | N | C1 | H26 | 180.0° | 180.0° |
| C | N | C1 | C2 | 75.2° | 180.0° |
| C | N | C1 | H27 | 45.2° | 60.0° |
| C | N | C1 | H28 | 164.4° | 60.0° |
| N | C1 | C2 | H27 | 120.4° | 120.0° |
| N | C1 | C2 | H28 | 120.4° | 120.0° |
| N | C1 | C2 | C3 | 171.6° | 180.0° |
| N | C1 | C2 | H1 | 50.8° | 60.0° |
| N | C1 | C2 | H2 | 67.7° | 60.0° |
| N | C1 | H27 | H28 | 118.7° | 120.0° |
| C1 | C2 | C3 | H1 | 120.7° | 120.0° |
| C1 | C2 | C3 | H2 | 120.7° | 120.0° |
| C1 | C2 | C3 | N1 | 80.8° | 180.0° |
| C1 | C2 | H1 | H2 | 117.7° | 120.0° |
| C2 | C1 | N | H26 | 104.8° | 0.0° |
| C2 | C1 | H27 | H28 | 118.7° | 120.0° |
| C1 | C2 | C3 | H29 | 158.6° | 60.0° |
| C1 | C2 | C3 | H30 | 39.9° | 60.0° |
| C2 | C3 | N1 | H29 | 120.6° | 120.1° |
| C2 | C3 | N1 | H30 | 120.6° | 120.0° |
| C2 | C3 | N1 | C6 | 52.1° | 89.9° |
| C2 | C3 | N1 | C4 | 127.5° | 89.7° |
| C3 | C2 | H1 | H2 | 117.7° | 120.0° |
| C3 | C2 | C1 | H27 | 68.0° | 60.0° |
| C3 | C2 | C1 | H28 | 51.1° | 60.0° |
| C2 | C3 | H29 | H30 | 118.1° | 120.1° |
| C3 | N1 | C6 | O2 | 9.9° | 0.3° |
| C3 | N1 | C6 | C4 | 179.7° | 179.7° |
| C3 | N1 | C6 | O1 | 170.3° | 179.7° |
| C3 | N1 | C4 | C5 | 165.8° | 179.7° |
| N1 | C3 | C2 | H1 | 40.0° | 60.0° |
| N1 | C3 | C2 | H2 | 158.5° | 60.0° |
| C3 | N1 | C4 | H5 | 75.6° | 61.7° |
| C3 | N1 | C4 | H6 | 47.2° | 61.1° |
| N1 | C3 | H29 | H30 | 118.2° | 119.9° |
| O2 | C6 | N1 | O1 | 179.9° | 180.0° |
| O2 | C6 | N1 | C4 | 170.4° | 180.0° |
| O2 | C6 | O1 | C5 | 179.8° | 180.0° |
| C6 | N1 | C4 | C5 | 13.9° | 0.0° |
| N1 | C6 | O1 | C5 | 0.0° | 0.0° |
| C6 | N1 | C4 | H5 | 104.7° | 118.6° |
| C6 | N1 | C4 | H6 | 132.5° | 118.6° |
| C6 | N1 | C3 | H29 | 68.5° | 150.0° |
| C6 | N1 | C3 | H30 | 172.7° | 30.0° |
| C4 | N1 | C6 | O1 | 9.4° | 0.0° |
| N1 | C4 | C5 | H5 | 118.6° | 118.6° |
| N1 | C4 | C5 | H6 | 118.6° | 118.6° |
| N1 | C4 | C5 | O1 | 12.9° | 0.0° |
| N1 | C4 | H5 | H6 | 124.1° | 122.8° |
| C4 | N1 | C3 | H29 | 111.9° | 30.3° |
| C4 | N1 | C3 | H30 | 6.9° | 150.3° |
| N1 | C4 | C5 | H31 | 132.3° | 118.6° |
| N1 | C4 | C5 | H32 | 106.5° | 118.6° |
| C6 | O1 | C5 | C4 | 8.7° | 0.0° |
| C6 | O1 | C5 | H31 | 128.0° | 118.6° |
| C6 | O1 | C5 | H32 | 110.7° | 118.6° |
| C4 | C5 | O1 | H31 | 119.4° | 118.7° |
| C4 | C5 | O1 | H32 | 119.4° | 118.6° |
| C5 | C4 | H5 | H6 | 124.0° | 122.8° |
| C4 | C5 | H31 | H32 | 121.8° | 122.7° |
| O1 | C5 | C4 | H5 | 105.7° | 118.6° |
| O1 | C5 | C4 | H6 | 131.5° | 118.6° |
| O1 | C5 | H31 | H32 | 121.8° | 122.7° |
| H1 | C2 | C1 | H27 | 171.3° | 60.0° |
| H1 | C2 | C1 | H28 | 69.6° | 180.0° |
| H1 | C2 | C3 | H29 | 80.6° | 60.0° |
| H1 | C2 | C3 | H30 | 160.6° | 180.0° |
| H2 | C2 | C1 | H27 | 52.7° | 180.0° |
| H2 | C2 | C1 | H28 | 171.8° | 60.0° |
| H2 | C2 | C3 | H29 | 37.9° | 180.0° |
| H2 | C2 | C3 | H30 | 80.9° | 59.9° |
| H3 | C10 | N3 | H7 | 65.3° | 120.0° |
| H4 | C10 | N3 | H7 | 53.1° | 120.0° |
| H5 | C4 | C5 | H31 | 13.7° | 0.0° |
| H5 | C4 | C5 | H32 | 134.9° | 122.8° |
| H6 | C4 | C5 | H31 | 109.2° | 122.8° |
| H6 | C4 | C5 | H32 | 12.1° | 0.0° |
| H8 | N5 | C19 | H15 | 34.9° | 145.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H15 | C19 | C24 | H16 | 65.7° | 60.1° |
| H15 | C19 | C24 | H17 | 174.8° | 180.0° |
| H15 | C19 | C20 | H24 | 21.4° | 179.9° |
| H15 | C19 | C20 | H25 | 140.9° | 60.0° |
| H16 | C24 | C23 | H18 | 77.5° | 60.0° |
| H16 | C24 | C23 | H19 | 42.0° | 60.0° |
| H17 | C24 | C23 | H18 | 42.0° | 180.0° |
| H17 | C24 | C23 | H19 | 161.5° | 60.0° |
| H18 | C23 | C22 | H20 | 19.2° | 60.0° |
| H18 | C23 | C22 | H21 | 138.8° | 180.0° |
| H19 | C23 | C22 | H20 | 100.3° | 60.0° |
| H19 | C23 | C22 | H21 | 19.3° | 59.9° |
| H20 | C22 | C21 | H22 | 63.6° | 59.9° |
| H20 | C22 | C21 | H23 | 55.8° | 60.0° |
| H21 | C22 | C21 | H22 | 176.8° | 180.0° |
| H21 | C22 | C21 | H23 | 63.8° | 60.0° |
| H22 | C21 | C20 | H24 | 161.7° | 180.0° |
| H22 | C21 | C20 | H25 | 42.3° | 60.0° |
| H23 | C21 | C20 | H24 | 42.2° | 60.0° |
| H23 | C21 | C20 | H25 | 77.2° | 60.0° |
| H26 | N | C1 | H27 | 134.8° | 120.0° |
| H26 | N | C1 | H28 | 15.6° | 120.0° |
