V6B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O1 | sing | 1.46Å | 1.45Å | |
| C5 | C4 | sing | 1.54Å | 1.51Å | |
| O1 | C6 | sing | 1.34Å | 1.34Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | O2 | doub | 1.21Å | 1.20Å | |
| C6 | N1 | sing | 1.34Å | 1.34Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | N | sing | 1.46Å | 1.46Å | |
| BR | C13 | sing | 1.89Å | 1.88Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| C8 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C | C7 | sing | 1.47Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C7 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | N3 | sing | 1.38Å | 1.35Å | |
| C9 | N4 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C10 | sing | 1.47Å | 1.45Å | |
| C18 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C18 | N5 | sing | 1.38Å | 1.35Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C19 | sing | 1.47Å | 1.45Å | |
| C23 | C19 | sing | 1.54Å | 1.54Å | |
| C23 | C22 | sing | 1.55Å | 1.53Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | BR1 | sing | 1.89Å | 1.89Å | |
| C19 | C20 | sing | 1.54Å | 1.52Å | |
| C22 | C21 | sing | 1.55Å | 1.45Å | |
| C20 | C21 | sing | 1.54Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| C19 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | C4 | 105.5° | 104.0° |
| C5 | O1 | C6 | 109.7° | 109.5° |
| O1 | C5 | H6 | 110.5° | 110.5° |
| O1 | C5 | H7 | 110.5° | 110.5° |
| C5 | C4 | N1 | 100.8° | 103.8° |
| C5 | C4 | H4 | 111.6° | 110.6° |
| C5 | C4 | H5 | 111.6° | 110.8° |
| C4 | C5 | H6 | 110.4° | 110.4° |
| C4 | C5 | H7 | 110.4° | 110.7° |
| O1 | C6 | O2 | 122.0° | 123.1° |
| O1 | C6 | N1 | 109.8° | 113.8° |
| C4 | N1 | C6 | 112.0° | 108.9° |
| C4 | N1 | C3 | 121.8° | 125.6° |
| N1 | C4 | H4 | 111.6° | 110.5° |
| N1 | C4 | H5 | 111.6° | 110.6° |
| O2 | C6 | N1 | 128.2° | 123.1° |
| C6 | N1 | C3 | 122.6° | 125.5° |
| N1 | C3 | C2 | 113.5° | 109.4° |
| N1 | C3 | H29 | 108.4° | 109.5° |
| N1 | C3 | H30 | 108.5° | 109.5° |
| C3 | C2 | C1 | 114.9° | 109.5° |
| C3 | C2 | H1 | 108.1° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | H29 | 108.5° | 109.5° |
| C2 | C3 | H30 | 108.5° | 109.4° |
| C2 | C1 | N | 112.1° | 109.5° |
| C1 | C2 | H1 | 108.1° | 109.4° |
| C1 | C2 | H2 | 108.1° | 109.4° |
| C2 | C1 | H27 | 108.8° | 109.4° |
| C2 | C1 | H28 | 108.8° | 109.4° |
| C1 | N | C | 122.3° | 120.0° |
| C1 | N | H26 | 118.9° | 120.0° |
| N | C1 | H27 | 108.8° | 109.5° |
| N | C1 | H28 | 108.8° | 109.5° |
| BR | C13 | C12 | 117.3° | 120.0° |
| BR | C13 | C14 | 120.0° | 120.0° |
| N | C | C7 | 117.2° | 120.0° |
| N | C | O | 122.2° | 120.0° |
| C | N | H26 | 118.9° | 120.0° |
| N2 | C8 | C7 | 124.3° | 119.1° |
| C8 | N2 | C9 | 115.6° | 121.1° |
| N2 | C8 | H15 | 117.8° | 120.5° |
| C8 | C7 | C | 118.9° | 120.9° |
| C8 | C7 | C18 | 115.5° | 118.2° |
| C7 | C8 | H15 | 117.8° | 120.5° |
| N2 | C9 | N3 | 116.5° | 119.0° |
| N2 | C9 | N4 | 126.3° | 122.0° |
| C7 | C | O | 120.6° | 120.0° |
| C | C7 | C18 | 125.6° | 120.9° |
| C7 | C18 | N4 | 120.2° | 118.8° |
| C7 | C18 | N5 | 121.4° | 120.6° |
| C12 | C13 | C14 | 122.6° | 120.0° |
| C13 | C12 | C11 | 120.8° | 120.0° |
| C13 | C12 | H12 | 119.6° | 120.0° |
| C13 | C14 | C15 | 123.0° | 120.0° |
| C13 | C14 | C16 | 116.5° | 120.0° |
| C12 | C11 | C10 | 120.9° | 120.0° |
| C12 | C11 | C17 | 116.7° | 120.0° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| N3 | C9 | N4 | 117.0° | 119.0° |
| C9 | N3 | C10 | 123.3° | 120.0° |
| C9 | N3 | H3 | 105.9° | 120.1° |
| C9 | N4 | C18 | 117.9° | 120.8° |
| N3 | C10 | C11 | 114.6° | 109.5° |
| C10 | N3 | H3 | 105.9° | 119.9° |
| N3 | C10 | H13 | 108.2° | 109.5° |
| N3 | C10 | H14 | 108.2° | 109.5° |
| N4 | C18 | N5 | 118.3° | 120.6° |
| C18 | N5 | C19 | 124.3° | 120.0° |
| C18 | N5 | H16 | 105.6° | 120.0° |
| C15 | C14 | C16 | 120.4° | 120.0° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C16 | C17 | 121.2° | 120.0° |
| C14 | C16 | H8 | 119.4° | 119.9° |
| C10 | C11 | C17 | 122.4° | 120.0° |
| C11 | C10 | H13 | 108.2° | 109.5° |
| C11 | C10 | H14 | 108.2° | 109.4° |
| C11 | C17 | C16 | 122.2° | 120.0° |
| C11 | C17 | BR1 | 119.9° | 120.0° |
| N5 | C19 | C23 | 112.0° | 110.0° |
| N5 | C19 | C20 | 111.9° | 110.0° |
| C19 | N5 | H16 | 105.7° | 120.0° |
| N5 | C19 | H17 | 110.4° | 110.0° |
| C19 | C23 | C22 | 105.1° | 104.2° |
| C23 | C19 | C20 | 103.8° | 106.6° |
| C23 | C19 | H17 | 109.2° | 110.1° |
| C19 | C23 | H18 | 110.5° | 110.5° |
| C19 | C23 | H19 | 110.5° | 110.5° |
| C23 | C22 | C21 | 106.2° | 102.8° |
| C22 | C23 | H18 | 110.5° | 110.5° |
| C22 | C23 | H19 | 110.5° | 110.5° |
| C23 | C22 | H20 | 110.3° | 110.8° |
| C23 | C22 | H21 | 110.3° | 110.8° |
| C16 | C17 | BR1 | 117.8° | 120.0° |
| C17 | C16 | H8 | 119.4° | 120.1° |
| C19 | C20 | C21 | 104.3° | 106.6° |
| C20 | C19 | H17 | 109.4° | 110.0° |
| C19 | C20 | H24 | 110.8° | 110.0° |
| C19 | C20 | H25 | 110.8° | 110.0° |
| C22 | C21 | C20 | 104.3° | 104.2° |
| C21 | C22 | H20 | 110.3° | 110.7° |
| C21 | C22 | H21 | 110.3° | 110.7° |
| C22 | C21 | H22 | 110.7° | 110.5° |
| C22 | C21 | H23 | 110.7° | 110.5° |
| C20 | C21 | H22 | 110.8° | 110.5° |
| C20 | C21 | H23 | 110.8° | 110.6° |
| C21 | C20 | H24 | 110.8° | 110.1° |
| C21 | C20 | H25 | 110.7° | 110.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H4 | C4 | H5 | 109.5° | 110.5° |
| H6 | C5 | H7 | 109.4° | 110.6° |
| H9 | C15 | H10 | 109.4° | 109.4° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 110.5° |
| H20 | C22 | H21 | 109.5° | 110.8° |
| H22 | C21 | H23 | 109.4° | 110.5° |
| H24 | C20 | H25 | 109.5° | 110.1° |
| H27 | C1 | H28 | 109.5° | 109.5° |
| H29 | C3 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | C4 | H6 | 119.4° | 118.6° |
| O1 | C5 | C4 | H7 | 119.4° | 118.7° |
| O1 | C5 | C4 | N1 | 13.0° | 0.1° |
| C5 | O1 | C6 | O2 | 177.3° | 179.8° |
| C5 | O1 | C6 | N1 | 1.3° | 0.3° |
| O1 | C5 | C4 | H4 | 105.5° | 118.6° |
| O1 | C5 | C4 | H5 | 131.6° | 118.6° |
| O1 | C5 | H6 | H7 | 121.8° | 122.6° |
| C4 | C5 | O1 | C6 | 8.0° | 0.2° |
| C5 | C4 | N1 | H4 | 118.6° | 118.6° |
| C5 | C4 | N1 | H5 | 118.6° | 118.8° |
| C5 | C4 | N1 | C6 | 14.8° | 0.3° |
| C5 | C4 | N1 | C3 | 174.2° | 180.0° |
| C5 | C4 | H4 | H5 | 124.1° | 123.0° |
| C4 | C5 | H6 | H7 | 121.8° | 122.8° |
| O1 | C6 | N1 | C4 | 10.7° | 0.4° |
| O1 | C6 | O2 | N1 | 178.3° | 179.8° |
| O1 | C6 | N1 | C3 | 170.0° | 179.9° |
| C6 | O1 | C5 | H6 | 127.4° | 118.6° |
| C6 | O1 | C5 | H7 | 111.4° | 118.7° |
| C4 | N1 | C6 | O2 | 167.7° | 179.8° |
| C4 | N1 | C6 | C3 | 159.2° | 179.7° |
| C4 | N1 | C3 | C2 | 105.9° | 90.0° |
| N1 | C4 | H4 | H5 | 124.0° | 122.7° |
| N1 | C4 | C5 | H6 | 132.4° | 118.5° |
| N1 | C4 | C5 | H7 | 106.4° | 118.7° |
| C4 | N1 | C3 | H29 | 14.7° | 150.0° |
| C4 | N1 | C3 | H30 | 133.6° | 29.9° |
| O2 | C6 | N1 | C3 | 8.5° | 0.0° |
| C6 | N1 | C3 | C2 | 51.4° | 90.3° |
| C6 | N1 | C4 | H4 | 103.8° | 118.8° |
| C6 | N1 | C4 | H5 | 133.4° | 118.5° |
| C6 | N1 | C3 | H29 | 171.9° | 29.7° |
| C6 | N1 | C3 | H30 | 69.2° | 149.7° |
| N1 | C3 | C2 | H29 | 120.6° | 120.0° |
| N1 | C3 | C2 | H30 | 120.6° | 120.0° |
| N1 | C3 | C2 | C1 | 77.2° | 180.0° |
| N1 | C3 | C2 | H1 | 162.0° | 60.0° |
| N1 | C3 | C2 | H2 | 43.6° | 60.0° |
| C3 | N1 | C4 | H4 | 55.6° | 61.5° |
| C3 | N1 | C4 | H5 | 67.2° | 61.2° |
| N1 | C3 | H29 | H30 | 118.2° | 120.0° |
| C3 | C2 | C1 | H1 | 120.8° | 120.0° |
| C3 | C2 | C1 | H2 | 120.8° | 120.0° |
| C3 | C2 | C1 | N | 176.0° | 180.0° |
| C3 | C2 | H1 | H2 | 117.5° | 120.1° |
| C3 | C2 | C1 | H27 | 55.6° | 60.0° |
| C3 | C2 | C1 | H28 | 63.6° | 60.0° |
| C2 | C3 | H29 | H30 | 118.2° | 120.0° |
| C2 | C1 | N | H27 | 120.4° | 120.0° |
| C2 | C1 | N | H28 | 120.4° | 119.9° |
| C2 | C1 | N | C | 74.3° | 180.0° |
| C1 | C2 | H1 | H2 | 117.5° | 119.9° |
| C2 | C1 | N | H26 | 105.7° | 0.1° |
| C2 | C1 | H27 | H28 | 118.8° | 119.9° |
| C1 | C2 | C3 | H29 | 43.4° | 60.0° |
| C1 | C2 | C3 | H30 | 162.2° | 60.0° |
| C1 | N | C | H26 | 180.0° | 179.9° |
| C1 | N | C | C7 | 123.5° | 180.0° |
| C1 | N | C | O | 58.0° | 0.0° |
| N | C1 | C2 | H1 | 63.2° | 60.0° |
| N | C1 | C2 | H2 | 55.2° | 59.9° |
| N | C1 | H27 | H28 | 118.8° | 120.0° |
| BR | C13 | C12 | C14 | 174.9° | 179.8° |
| BR | C13 | C12 | C11 | 172.4° | 180.0° |
| BR | C13 | C14 | C15 | 12.0° | 0.3° |
| BR | C13 | C14 | C16 | 171.5° | 179.7° |
| BR | C13 | C12 | H12 | 7.6° | 0.3° |
| N | C | C7 | C8 | 33.8° | 5.6° |
| N | C | C7 | O | 178.5° | 180.0° |
| N | C | C7 | C18 | 148.2° | 174.4° |
| C | N | C1 | H27 | 165.3° | 60.0° |
| C | N | C1 | H28 | 46.1° | 60.0° |
| N2 | C8 | C7 | H15 | 180.0° | 179.9° |
| N2 | C8 | C7 | C | 178.9° | 179.9° |
| N2 | C8 | C7 | C18 | 2.9° | 0.0° |
| C8 | N2 | C9 | N3 | 174.5° | 179.9° |
| C8 | N2 | C9 | N4 | 0.3° | 0.0° |
| C7 | C8 | N2 | C9 | 2.4° | 0.1° |
| C8 | C7 | C | C18 | 178.0° | 180.0° |
| C8 | C7 | C | O | 147.8° | 174.4° |
| C8 | C7 | C18 | N4 | 0.7° | 0.0° |
| C8 | C7 | C18 | N5 | 175.9° | 180.0° |
| N2 | C9 | N3 | N4 | 175.3° | 180.0° |
| N2 | C9 | N3 | C10 | 177.4° | 0.0° |
| N2 | C9 | N4 | C18 | 2.3° | 0.0° |
| N2 | C9 | N3 | H3 | 60.7° | 180.0° |
| C9 | N2 | C8 | H15 | 177.5° | 180.0° |
| C | C7 | C18 | N4 | 178.8° | 180.0° |
| C | C7 | C18 | N5 | 2.2° | 0.0° |
| C | C7 | C8 | H15 | 1.1° | 0.0° |
| C7 | C | N | H26 | 56.4° | 0.1° |
| O | C | C7 | C18 | 30.2° | 5.6° |
| O | C | N | H26 | 122.0° | 180.0° |
| C7 | C18 | N4 | C9 | 1.7° | 0.0° |
| C7 | C18 | N4 | N5 | 176.7° | 180.0° |
| C7 | C18 | N5 | C19 | 169.2° | 174.6° |
| C18 | C7 | C8 | H15 | 177.1° | 180.0° |
| C7 | C18 | N5 | H16 | 68.7° | 5.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 173.2° | 180.0° |
| C12 | C13 | C14 | C16 | 3.3° | 0.0° |
| C13 | C12 | C11 | C10 | 179.2° | 180.0° |
| C13 | C12 | C11 | C17 | 0.0° | 0.5° |
| C14 | C13 | C12 | C11 | 2.5° | 0.2° |
| C13 | C14 | C15 | C16 | 176.4° | 180.0° |
| C13 | C14 | C16 | C17 | 1.7° | 0.0° |
| C13 | C14 | C16 | H8 | 178.3° | 180.0° |
| C13 | C14 | C15 | H9 | 91.9° | 90.0° |
| C13 | C14 | C15 | H10 | 148.1° | 29.9° |
| C13 | C14 | C15 | H11 | 28.1° | 150.0° |
| C14 | C13 | C12 | H12 | 177.5° | 180.0° |
| C12 | C11 | C10 | N3 | 33.2° | 105.0° |
| C12 | C11 | C10 | C17 | 179.2° | 179.5° |
| C12 | C11 | C17 | C16 | 1.6° | 0.5° |
| C12 | C11 | C17 | BR1 | 175.8° | 179.8° |
| C12 | C11 | C10 | H13 | 87.6° | 15.1° |
| C12 | C11 | C10 | H14 | 153.9° | 135.0° |
| C9 | N3 | C10 | H3 | 121.9° | 180.0° |
| N3 | C9 | N4 | C18 | 172.5° | 180.0° |
| C9 | N3 | C10 | C11 | 66.2° | 180.0° |
| C9 | N3 | C10 | H13 | 173.0° | 60.0° |
| C9 | N3 | C10 | H14 | 54.5° | 60.0° |
| N4 | C9 | N3 | C10 | 7.3° | 180.0° |
| C9 | N4 | C18 | N5 | 178.4° | 180.0° |
| N4 | C9 | N3 | H3 | 114.6° | 0.0° |
| N3 | C10 | C11 | H13 | 120.8° | 120.0° |
| N3 | C10 | C11 | H14 | 120.7° | 120.0° |
| N3 | C10 | C11 | C17 | 147.6° | 75.5° |
| N3 | C10 | H13 | H14 | 117.7° | 120.0° |
| N4 | C18 | N5 | C19 | 14.1° | 5.4° |
| N4 | C18 | N5 | H16 | 107.9° | 174.6° |
| C18 | N5 | C19 | H16 | 122.0° | 179.9° |
| C18 | N5 | C19 | C23 | 87.3° | 87.8° |
| C18 | N5 | C19 | C20 | 156.7° | 155.0° |
| C18 | N5 | C19 | H17 | 34.6° | 33.6° |
| C15 | C14 | C16 | C17 | 174.9° | 180.0° |
| C15 | C14 | C16 | H8 | 5.1° | 0.1° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | C16 | C17 | C11 | 0.7° | 0.3° |
| C14 | C16 | C17 | H8 | 180.0° | 179.9° |
| C14 | C16 | C17 | BR1 | 176.8° | 180.0° |
| C16 | C14 | C15 | H9 | 91.7° | 90.0° |
| C16 | C14 | C15 | H10 | 28.3° | 150.1° |
| C16 | C14 | C15 | H11 | 148.3° | 30.0° |
| C10 | C11 | C17 | C16 | 179.2° | 179.9° |
| C10 | C11 | C17 | BR1 | 3.4° | 0.2° |
| C11 | C10 | N3 | H3 | 55.6° | 0.0° |
| C10 | C11 | C12 | H12 | 0.8° | 0.3° |
| C11 | C10 | H13 | H14 | 117.7° | 119.9° |
| C11 | C17 | C16 | BR1 | 177.5° | 179.7° |
| C11 | C17 | C16 | H8 | 179.3° | 179.8° |
| C17 | C11 | C12 | H12 | 180.0° | 179.8° |
| C17 | C11 | C10 | H13 | 91.6° | 164.4° |
| C17 | C11 | C10 | H14 | 26.9° | 44.5° |
| N5 | C19 | C23 | C20 | 120.8° | 119.3° |
| N5 | C19 | C23 | H17 | 122.6° | 121.4° |
| N5 | C19 | C23 | C22 | 131.9° | 142.9° |
| N5 | C19 | C20 | H17 | 122.6° | 121.4° |
| N5 | C19 | C20 | C21 | 152.7° | 119.3° |
| N5 | C19 | C23 | H18 | 12.6° | 24.2° |
| N5 | C19 | C23 | H19 | 108.7° | 98.4° |
| N5 | C19 | C20 | H24 | 88.1° | 121.4° |
| N5 | C19 | C20 | H25 | 33.6° | 0.0° |
| C19 | C23 | C22 | H18 | 119.3° | 118.7° |
| C19 | C23 | C22 | H19 | 119.3° | 118.7° |
| C23 | C19 | C20 | H17 | 116.5° | 119.3° |
| C19 | C23 | C22 | C21 | 13.8° | 38.0° |
| C23 | C19 | C20 | C21 | 31.8° | 0.0° |
| C23 | C19 | N5 | H16 | 150.7° | 92.1° |
| C19 | C23 | H18 | H19 | 122.0° | 122.6° |
| C19 | C23 | C22 | H20 | 105.7° | 156.2° |
| C19 | C23 | C22 | H21 | 133.3° | 80.4° |
| C23 | C19 | C20 | H24 | 151.0° | 119.3° |
| C23 | C19 | C20 | H25 | 87.3° | 119.3° |
| C22 | C23 | C19 | C20 | 11.1° | 23.6° |
| C23 | C22 | C21 | H20 | 119.5° | 118.4° |
| C23 | C22 | C21 | H21 | 119.5° | 118.3° |
| C23 | C22 | C21 | C20 | 34.1° | 37.9° |
| C22 | C23 | C19 | H17 | 105.5° | 95.7° |
| C22 | C23 | H18 | H19 | 122.0° | 122.6° |
| C23 | C22 | H20 | H21 | 121.5° | 123.4° |
| C23 | C22 | C21 | H22 | 153.3° | 80.7° |
| C23 | C22 | C21 | H23 | 85.1° | 156.7° |
| BR1 | C17 | C16 | H8 | 3.3° | 0.1° |
| C19 | C20 | C21 | C22 | 41.5° | 23.6° |
| C19 | C20 | C21 | H24 | 119.2° | 119.3° |
| C19 | C20 | C21 | H25 | 119.2° | 119.3° |
| C20 | C19 | N5 | H16 | 34.7° | 25.0° |
| C20 | C19 | C23 | H18 | 108.2° | 95.1° |
| C20 | C19 | C23 | H19 | 130.4° | 142.3° |
| C19 | C20 | C21 | H22 | 160.6° | 95.1° |
| C19 | C20 | C21 | H23 | 77.7° | 142.3° |
| C19 | C20 | H24 | H25 | 122.4° | 121.4° |
| C22 | C21 | C20 | H22 | 119.2° | 118.7° |
| C22 | C21 | C20 | H23 | 119.2° | 118.7° |
| C21 | C22 | C23 | H18 | 133.1° | 80.7° |
| C21 | C22 | C23 | H19 | 105.5° | 156.6° |
| C21 | C22 | H20 | H21 | 121.5° | 123.2° |
| C22 | C21 | H22 | H23 | 122.4° | 122.6° |
| C22 | C21 | C20 | H24 | 160.6° | 95.7° |
| C22 | C21 | C20 | H25 | 77.7° | 142.9° |
| C21 | C20 | C19 | H17 | 84.6° | 119.3° |
| C20 | C21 | C22 | H20 | 85.3° | 156.3° |
| C20 | C21 | C22 | H21 | 153.6° | 80.4° |
| C20 | C21 | H22 | H23 | 122.4° | 122.7° |
| C21 | C20 | H24 | H25 | 122.4° | 121.4° |
| H1 | C2 | C1 | H27 | 176.4° | 60.0° |
| H1 | C2 | C1 | H28 | 57.2° | 180.0° |
| H1 | C2 | C3 | H29 | 77.4° | 60.0° |
| H1 | C2 | C3 | H30 | 41.4° | 180.0° |
| H2 | C2 | C1 | H27 | 65.2° | 180.0° |
| H2 | C2 | C1 | H28 | 175.6° | 60.0° |
| H2 | C2 | C3 | H29 | 164.2° | 180.0° |
| H2 | C2 | C3 | H30 | 77.0° | 60.0° |
| H3 | N3 | C10 | H13 | 65.1° | 120.0° |
| H3 | N3 | C10 | H14 | 176.4° | 120.0° |
| H4 | C4 | C5 | H6 | 13.9° | 0.0° |
| H4 | C4 | C5 | H7 | 135.1° | 122.7° |
| H5 | C4 | C5 | H6 | 109.0° | 122.8° |
| H5 | C4 | C5 | H7 | 12.2° | 0.1° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H16 | N5 | C19 | H17 | 87.4° | 146.4° |
| H17 | C19 | C23 | H18 | 135.2° | 145.6° |
| H17 | C19 | C23 | H19 | 13.8° | 23.0° |
| H17 | C19 | C20 | H24 | 34.5° | 0.0° |
| H17 | C19 | C20 | H25 | 156.2° | 121.4° |
| H18 | C23 | C22 | H20 | 13.6° | 37.5° |
| H18 | C23 | C22 | H21 | 107.4° | 161.0° |
| H19 | C23 | C22 | H20 | 135.0° | 85.1° |
| H19 | C23 | C22 | H21 | 14.0° | 38.3° |
| H20 | C22 | C21 | H22 | 33.8° | 37.7° |
| H20 | C22 | C21 | H23 | 155.4° | 84.9° |
| H21 | C22 | C21 | H22 | 87.2° | 161.0° |
| H21 | C22 | C21 | H23 | 34.4° | 38.4° |
| H22 | C21 | C20 | H24 | 80.2° | 145.7° |
| H22 | C21 | C20 | H25 | 41.4° | 24.2° |
| H23 | C21 | C20 | H24 | 41.4° | 23.0° |
| H23 | C21 | C20 | H25 | 163.1° | 98.4° |
| H26 | N | C1 | H27 | 14.6° | 119.9° |
| H26 | N | C1 | H28 | 133.9° | 120.0° |
