BXI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O1 | sing | 1.44Å | 1.45Å | |
| C18 | C16 | sing | 1.54Å | 1.57Å | |
| O1 | C17 | sing | 1.44Å | 1.45Å | |
| C17 | C16 | sing | 1.54Å | 1.56Å | |
| C16 | N4 | sing | 1.47Å | 1.52Å | |
| C15 | N4 | sing | 1.47Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N4 | C19 | sing | 1.47Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C20 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| CL1 | C11 | sing | 1.74Å | 1.74Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C22 | N5 | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| N5 | C | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| O | C4 | sing | 1.43Å | 1.44Å | |
| C8 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C | N | sing | 1.38Å | 1.39Å | |
| C1 | N | sing | 1.41Å | 1.37Å | |
| C1 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.36Å | 1.35Å | Aromatic |
| N2 | C3 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C7 | CL | sing | 1.74Å | 1.71Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| N | H25 | sing | 0.97Å | 1.00Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| O | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C18 | C16 | 92.9° | 85.5° |
| C18 | O1 | C17 | 90.8° | 93.4° |
| O1 | C18 | H21 | 113.4° | 113.9° |
| O1 | C18 | H22 | 113.4° | 113.9° |
| C18 | C16 | C17 | 82.7° | 85.8° |
| C18 | C16 | N4 | 116.3° | 113.8° |
| C18 | C16 | H20 | 112.1° | 113.9° |
| C16 | C18 | H21 | 113.4° | 113.8° |
| C16 | C18 | H22 | 113.4° | 113.9° |
| O1 | C17 | C16 | 93.5° | 85.5° |
| O1 | C17 | H12 | 113.3° | 113.9° |
| O1 | C17 | H13 | 113.3° | 114.0° |
| C17 | C16 | N4 | 117.3° | 113.8° |
| C16 | C17 | H12 | 113.3° | 113.9° |
| C16 | C17 | H13 | 113.3° | 113.9° |
| C17 | C16 | H20 | 112.3° | 113.8° |
| C16 | N4 | C15 | 110.0° | 111.0° |
| C16 | N4 | C19 | 111.3° | 111.0° |
| N4 | C16 | H20 | 112.8° | 113.1° |
| N4 | C15 | C14 | 109.1° | 109.5° |
| C15 | N4 | C19 | 109.7° | 111.2° |
| N4 | C15 | H10 | 109.6° | 109.5° |
| N4 | C15 | H11 | 109.6° | 109.5° |
| C15 | C14 | C13 | 110.6° | 109.3° |
| C14 | C15 | H10 | 109.6° | 109.5° |
| C14 | C15 | H11 | 109.6° | 109.5° |
| C15 | C14 | H23 | 109.2° | 109.6° |
| C15 | C14 | H24 | 109.2° | 109.5° |
| N4 | C19 | C20 | 109.5° | 109.5° |
| N4 | C19 | H17 | 109.5° | 109.5° |
| N4 | C19 | H18 | 109.5° | 109.5° |
| C14 | C13 | C20 | 109.5° | 109.2° |
| C14 | C13 | C12 | 112.1° | 109.6° |
| C14 | C13 | H9 | 106.9° | 109.6° |
| C13 | C14 | H23 | 109.2° | 109.4° |
| C13 | C14 | H24 | 109.2° | 109.5° |
| C19 | C20 | C13 | 111.0° | 109.3° |
| C19 | C20 | H14 | 109.1° | 109.5° |
| C19 | C20 | H15 | 109.1° | 109.5° |
| C20 | C19 | H17 | 109.5° | 109.4° |
| C20 | C19 | H18 | 109.5° | 109.5° |
| C20 | C13 | C12 | 114.2° | 109.5° |
| C20 | C13 | H9 | 106.8° | 109.5° |
| C13 | C20 | H14 | 109.1° | 109.5° |
| C13 | C20 | H15 | 109.1° | 109.5° |
| C13 | C12 | C11 | 121.9° | 119.5° |
| C13 | C12 | C21 | 119.3° | 119.4° |
| C12 | C13 | H9 | 107.0° | 109.5° |
| CL1 | C11 | C12 | 119.6° | 119.6° |
| CL1 | C11 | C10 | 118.3° | 119.6° |
| C11 | C12 | C21 | 118.8° | 121.1° |
| C12 | C11 | C10 | 122.1° | 120.9° |
| C12 | C21 | C22 | 120.0° | 119.5° |
| C12 | C21 | H16 | 120.0° | 120.3° |
| C11 | C10 | C9 | 120.4° | 119.6° |
| C11 | C10 | H8 | 119.8° | 120.3° |
| C21 | C22 | C9 | 120.1° | 119.4° |
| C21 | C22 | N5 | 117.7° | 121.9° |
| C22 | C21 | H16 | 120.0° | 120.2° |
| C10 | C9 | C22 | 117.9° | 119.5° |
| C10 | C9 | C8 | 127.7° | 122.1° |
| C9 | C10 | H8 | 119.8° | 120.2° |
| C9 | C22 | N5 | 122.0° | 118.7° |
| C22 | C9 | C8 | 114.0° | 118.4° |
| C22 | N5 | C | 116.3° | 120.2° |
| C9 | C8 | N3 | 124.8° | 118.5° |
| C9 | C8 | H7 | 117.6° | 120.7° |
| N5 | C | N3 | 126.7° | 122.7° |
| N5 | C | N | 117.7° | 118.7° |
| N1 | C2 | C1 | 112.3° | 108.3° |
| C2 | N1 | N2 | 105.2° | 108.4° |
| N1 | C2 | H26 | 123.9° | 125.8° |
| C2 | C1 | N | 134.5° | 126.0° |
| C2 | C1 | C7 | 103.6° | 107.9° |
| C1 | C2 | H26 | 123.9° | 125.8° |
| O | C4 | C5 | 108.9° | 109.5° |
| O | C4 | C6 | 107.3° | 109.5° |
| O | C4 | C3 | 109.6° | 109.5° |
| C4 | O | H29 | 109.5° | 114.0° |
| C8 | N3 | C | 116.1° | 121.5° |
| N3 | C8 | H7 | 117.6° | 120.8° |
| N1 | N2 | C7 | 110.2° | 107.9° |
| N1 | N2 | C3 | 124.8° | 126.1° |
| N3 | C | N | 115.2° | 118.6° |
| C | N | C1 | 130.5° | 120.0° |
| C | N | H25 | 114.7° | 120.0° |
| N | C1 | C7 | 121.8° | 126.1° |
| C1 | N | H25 | 114.7° | 120.0° |
| C1 | C7 | N2 | 108.7° | 107.5° |
| C1 | C7 | CL | 128.3° | 126.2° |
| C7 | N2 | C3 | 125.0° | 126.0° |
| N2 | C7 | CL | 122.9° | 126.3° |
| N2 | C3 | C4 | 119.6° | 109.5° |
| N2 | C3 | H27 | 106.9° | 109.5° |
| N2 | C3 | H28 | 106.9° | 109.5° |
| C5 | C4 | C6 | 110.6° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.5° |
| C4 | C5 | H1 | 109.5° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| C6 | C4 | C3 | 110.2° | 109.5° |
| C4 | C6 | H4 | 109.5° | 109.5° |
| C4 | C6 | H5 | 109.5° | 109.5° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C3 | H27 | 106.9° | 109.5° |
| C4 | C3 | H28 | 106.9° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H4 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H12 | C17 | H13 | 109.4° | 113.0° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 113.2° |
| H23 | C14 | H24 | 109.5° | 109.6° |
| H27 | C3 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C18 | C16 | H21 | 117.1° | 114.1° |
| O1 | C18 | C16 | H22 | 117.1° | 114.2° |
| O1 | C18 | C16 | C17 | 2.6° | 22.6° |
| O1 | C18 | C16 | N4 | 119.6° | 136.8° |
| C18 | O1 | C17 | H12 | 114.4° | 138.4° |
| C18 | O1 | C17 | H13 | 120.1° | 90.0° |
| O1 | C18 | C16 | H20 | 108.5° | 91.7° |
| O1 | C18 | H21 | H22 | 127.8° | 132.2° |
| C18 | C16 | C17 | N4 | 115.9° | 114.2° |
| C18 | C16 | C17 | H20 | 111.0° | 114.3° |
| C18 | C16 | N4 | H20 | 131.6° | 132.0° |
| C18 | C16 | N4 | C15 | 71.4° | 83.9° |
| C18 | C16 | N4 | C19 | 166.9° | 152.0° |
| C18 | C16 | C17 | H12 | 114.6° | 136.7° |
| C18 | C16 | C17 | H13 | 119.9° | 91.7° |
| C16 | C18 | H21 | H22 | 127.8° | 132.0° |
| O1 | C17 | C16 | H12 | 117.2° | 114.1° |
| O1 | C17 | C16 | H13 | 117.3° | 114.3° |
| O1 | C17 | C16 | N4 | 118.5° | 136.8° |
| O1 | C17 | H12 | H13 | 127.5° | 132.1° |
| O1 | C17 | C16 | H20 | 108.3° | 91.8° |
| C17 | O1 | C18 | H21 | 120.0° | 89.9° |
| C17 | O1 | C18 | H22 | 114.3° | 138.3° |
| C17 | C16 | N4 | H20 | 132.9° | 131.8° |
| C17 | C16 | N4 | C15 | 166.8° | 180.0° |
| C17 | C16 | N4 | C19 | 71.4° | 55.8° |
| C16 | C17 | H12 | H13 | 127.5° | 132.0° |
| C17 | C16 | C18 | H21 | 119.8° | 91.6° |
| C17 | C16 | C18 | H22 | 114.5° | 136.7° |
| C16 | N4 | C15 | C19 | 122.7° | 124.0° |
| C16 | N4 | C15 | C14 | 174.6° | 174.2° |
| C16 | N4 | C19 | C20 | 176.9° | 174.2° |
| C16 | N4 | C15 | H10 | 65.4° | 65.8° |
| C16 | N4 | C15 | H11 | 54.7° | 54.2° |
| N4 | C16 | C17 | H12 | 1.3° | 109.1° |
| N4 | C16 | C17 | H13 | 124.2° | 22.5° |
| C16 | N4 | C19 | H17 | 56.9° | 65.8° |
| C16 | N4 | C19 | H18 | 63.1° | 54.2° |
| N4 | C16 | C18 | H21 | 123.3° | 22.6° |
| N4 | C16 | C18 | H22 | 2.4° | 109.1° |
| N4 | C15 | C14 | H10 | 120.0° | 120.0° |
| N4 | C15 | C14 | H11 | 120.0° | 120.0° |
| N4 | C15 | C14 | C13 | 60.4° | 59.2° |
| C15 | N4 | C19 | C20 | 61.2° | 61.8° |
| N4 | C15 | H10 | H11 | 120.2° | 120.0° |
| C15 | N4 | C19 | H17 | 178.8° | 58.2° |
| C15 | N4 | C19 | H18 | 58.8° | 178.2° |
| C15 | N4 | C16 | H20 | 60.3° | 48.1° |
| N4 | C15 | C14 | H23 | 179.4° | 60.7° |
| N4 | C15 | C14 | H24 | 59.7° | 179.1° |
| C14 | C15 | N4 | C19 | 62.7° | 61.8° |
| C15 | C14 | C13 | H23 | 120.2° | 120.0° |
| C15 | C14 | C13 | H24 | 120.1° | 119.9° |
| C15 | C14 | C13 | C20 | 56.4° | 57.7° |
| C15 | C14 | C13 | C12 | 175.8° | 177.6° |
| C15 | C14 | C13 | H9 | 58.9° | 62.3° |
| C14 | C15 | H10 | H11 | 120.1° | 120.0° |
| C15 | C14 | H23 | H24 | 119.5° | 120.1° |
| N4 | C19 | C20 | H17 | 120.0° | 120.0° |
| N4 | C19 | C20 | H18 | 120.0° | 120.0° |
| N4 | C19 | C20 | C13 | 57.6° | 59.2° |
| C19 | N4 | C15 | H10 | 57.3° | 58.2° |
| C19 | N4 | C15 | H11 | 177.4° | 178.2° |
| N4 | C19 | C20 | H14 | 62.6° | 179.1° |
| N4 | C19 | C20 | H15 | 177.8° | 60.8° |
| N4 | C19 | H17 | H18 | 120.0° | 120.0° |
| C19 | N4 | C16 | H20 | 61.5° | 76.0° |
| C14 | C13 | C20 | C19 | 55.0° | 57.6° |
| C14 | C13 | C20 | C12 | 126.6° | 120.0° |
| C14 | C13 | C20 | H9 | 115.3° | 120.0° |
| C14 | C13 | C12 | H9 | 116.8° | 120.2° |
| C14 | C13 | C12 | C11 | 82.6° | 120.3° |
| C14 | C13 | C12 | C21 | 97.6° | 59.6° |
| C13 | C14 | C15 | H10 | 59.5° | 60.8° |
| C13 | C14 | C15 | H11 | 179.6° | 179.2° |
| C14 | C13 | C20 | H14 | 65.2° | 177.6° |
| C14 | C13 | C20 | H15 | 175.2° | 62.3° |
| C13 | C14 | H23 | H24 | 119.5° | 120.1° |
| C19 | C20 | C13 | H14 | 120.2° | 119.9° |
| C19 | C20 | C13 | H15 | 120.2° | 119.9° |
| C19 | C20 | C13 | C12 | 178.4° | 177.6° |
| C19 | C20 | C13 | H9 | 60.4° | 62.3° |
| C19 | C20 | H14 | H15 | 119.3° | 120.1° |
| C20 | C19 | H17 | H18 | 120.0° | 120.0° |
| C20 | C13 | C12 | H9 | 118.0° | 120.1° |
| C20 | C13 | C12 | C11 | 152.1° | 120.0° |
| C20 | C13 | C12 | C21 | 27.6° | 60.1° |
| C13 | C20 | H14 | H15 | 119.3° | 120.1° |
| C13 | C20 | C19 | H17 | 177.6° | 60.8° |
| C13 | C20 | C19 | H18 | 62.4° | 179.2° |
| C20 | C13 | C14 | H23 | 176.6° | 62.3° |
| C20 | C13 | C14 | H24 | 63.7° | 177.6° |
| C13 | C12 | C11 | CL1 | 4.1° | 0.0° |
| C13 | C12 | C11 | C21 | 179.7° | 179.9° |
| C13 | C12 | C11 | C10 | 176.3° | 180.0° |
| C13 | C12 | C21 | C22 | 170.8° | 180.0° |
| C12 | C13 | C20 | H14 | 61.4° | 62.5° |
| C12 | C13 | C20 | H15 | 58.2° | 57.7° |
| C13 | C12 | C21 | H16 | 9.1° | 0.1° |
| C12 | C13 | C14 | H23 | 55.6° | 57.6° |
| C12 | C13 | C14 | H24 | 64.0° | 62.5° |
| CL1 | C11 | C12 | C10 | 179.7° | 180.0° |
| CL1 | C11 | C12 | C21 | 175.7° | 180.0° |
| CL1 | C11 | C10 | C9 | 178.0° | 180.0° |
| CL1 | C11 | C10 | H8 | 2.0° | 0.1° |
| C11 | C12 | C21 | C22 | 9.4° | 0.1° |
| C12 | C11 | C10 | C9 | 2.3° | 0.0° |
| C12 | C11 | C10 | H8 | 177.7° | 179.9° |
| C11 | C12 | C13 | H9 | 34.2° | 0.1° |
| C11 | C12 | C21 | H16 | 170.6° | 180.0° |
| C21 | C12 | C11 | C10 | 4.0° | 0.0° |
| C12 | C21 | C22 | H16 | 180.0° | 179.9° |
| C12 | C21 | C22 | C9 | 8.7° | 0.1° |
| C12 | C21 | C22 | N5 | 166.2° | 179.9° |
| C21 | C12 | C13 | H9 | 145.6° | 179.8° |
| C11 | C10 | C9 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | C22 | 3.1° | 0.0° |
| C11 | C10 | C9 | C8 | 169.8° | 180.0° |
| C21 | C22 | C9 | C10 | 2.4° | 0.0° |
| C21 | C22 | C9 | N5 | 174.6° | 180.0° |
| C21 | C22 | C9 | C8 | 176.2° | 180.0° |
| C21 | C22 | N5 | C | 175.1° | 180.0° |
| C10 | C9 | C22 | C8 | 173.8° | 180.0° |
| C10 | C9 | C22 | N5 | 172.3° | 180.0° |
| C10 | C9 | C8 | N3 | 171.5° | 180.0° |
| C10 | C9 | C8 | H7 | 8.5° | 0.1° |
| C9 | C22 | N5 | C | 0.3° | 0.0° |
| C22 | C9 | C8 | N3 | 1.6° | 0.0° |
| C22 | C9 | C8 | H7 | 178.4° | 179.9° |
| C22 | C9 | C10 | H8 | 176.9° | 179.9° |
| C9 | C22 | C21 | H16 | 171.3° | 180.0° |
| N5 | C22 | C9 | C8 | 1.6° | 0.0° |
| C22 | N5 | C | N3 | 1.2° | 0.0° |
| C22 | N5 | C | N | 173.6° | 180.0° |
| N5 | C22 | C21 | H16 | 13.8° | 0.0° |
| C9 | C8 | N3 | H7 | 180.0° | 179.9° |
| C9 | C8 | N3 | C | 0.3° | 0.0° |
| C8 | C9 | C10 | H8 | 10.2° | 0.1° |
| N5 | C | N3 | C8 | 1.2° | 0.0° |
| N5 | C | N3 | N | 172.6° | 179.9° |
| N5 | C | N | C1 | 9.3° | 180.0° |
| N5 | C | N | H25 | 170.7° | 0.0° |
| N1 | C2 | C1 | H26 | 180.0° | 179.9° |
| N1 | C2 | C1 | N | 177.1° | 180.0° |
| N1 | C2 | C1 | C7 | 0.4° | 0.1° |
| C2 | N1 | N2 | C7 | 0.8° | 0.0° |
| C2 | N1 | N2 | C3 | 175.9° | 180.0° |
| C1 | C2 | N1 | N2 | 0.2° | 0.0° |
| C2 | C1 | N | C | 11.2° | 0.1° |
| C2 | C1 | N | C7 | 176.3° | 179.9° |
| C2 | C1 | C7 | N2 | 0.9° | 0.1° |
| C2 | C1 | C7 | CL | 177.3° | 180.0° |
| C2 | C1 | N | H25 | 168.8° | 180.0° |
| O | C4 | C3 | N2 | 39.9° | 65.0° |
| O | C4 | C5 | C6 | 117.7° | 120.0° |
| O | C4 | C5 | C3 | 120.2° | 120.0° |
| O | C4 | C6 | C3 | 119.3° | 120.0° |
| O | C4 | C5 | H1 | 180.0° | 60.0° |
| O | C4 | C5 | H2 | 60.0° | 60.0° |
| O | C4 | C5 | H3 | 60.0° | 180.0° |
| O | C4 | C6 | H4 | 180.0° | 180.0° |
| O | C4 | C6 | H5 | 60.0° | 60.0° |
| O | C4 | C6 | H6 | 60.0° | 60.0° |
| O | C4 | C3 | H27 | 161.3° | 175.0° |
| O | C4 | C3 | H28 | 81.5° | 55.0° |
| C8 | N3 | C | N | 173.8° | 180.0° |
| N1 | N2 | C7 | C1 | 1.0° | 0.0° |
| N1 | N2 | C7 | C3 | 176.7° | 180.0° |
| N1 | N2 | C3 | C4 | 22.6° | 90.0° |
| N1 | N2 | C7 | CL | 177.8° | 180.0° |
| N2 | N1 | C2 | H26 | 179.8° | 180.0° |
| N1 | N2 | C3 | H27 | 98.8° | 30.0° |
| N1 | N2 | C3 | H28 | 144.1° | 150.0° |
| N3 | C | N | C1 | 177.4° | 0.1° |
| C | N3 | C8 | H7 | 179.7° | 179.9° |
| N3 | C | N | H25 | 2.6° | 180.0° |
| C | N | C1 | H25 | 180.0° | 180.0° |
| C | N | C1 | C7 | 172.5° | 180.0° |
| N | C1 | C7 | N2 | 178.1° | 180.0° |
| N | C1 | C7 | CL | 5.4° | 0.0° |
| N | C1 | C2 | H26 | 2.9° | 0.1° |
| C1 | C7 | N2 | CL | 176.7° | 180.0° |
| C1 | C7 | N2 | C3 | 175.6° | 180.0° |
| C7 | C1 | N | H25 | 7.5° | 0.1° |
| C7 | C1 | C2 | H26 | 179.6° | 180.0° |
| C7 | N2 | C3 | C4 | 161.2° | 90.0° |
| C7 | N2 | C3 | H27 | 77.4° | 150.0° |
| C7 | N2 | C3 | H28 | 39.8° | 30.0° |
| N2 | C3 | C4 | C5 | 79.9° | 175.0° |
| N2 | C3 | C4 | C6 | 157.8° | 55.0° |
| N2 | C3 | C4 | H27 | 121.4° | 120.0° |
| N2 | C3 | C4 | H28 | 121.4° | 120.0° |
| C3 | N2 | C7 | CL | 1.1° | 0.0° |
| N2 | C3 | H27 | H28 | 115.4° | 120.0° |
| C5 | C4 | C6 | C3 | 122.0° | 120.0° |
| C4 | C5 | H1 | H2 | 120.0° | 120.0° |
| C4 | C5 | H1 | H3 | 120.0° | 120.0° |
| C4 | C5 | H2 | H3 | 120.0° | 120.0° |
| C5 | C4 | C6 | H4 | 61.3° | 60.0° |
| C5 | C4 | C6 | H5 | 178.7° | 180.0° |
| C5 | C4 | C6 | H6 | 58.7° | 60.0° |
| C5 | C4 | C3 | H27 | 41.5° | 55.0° |
| C5 | C4 | C3 | H28 | 158.7° | 65.0° |
| C5 | C4 | O | H29 | 180.0° | 60.0° |
| C6 | C4 | C5 | H1 | 62.3° | 60.0° |
| C6 | C4 | C5 | H2 | 57.7° | 180.0° |
| C6 | C4 | C5 | H3 | 177.7° | 60.0° |
| C4 | C6 | H4 | H5 | 120.0° | 120.0° |
| C4 | C6 | H4 | H6 | 120.0° | 120.0° |
| C4 | C6 | H5 | H6 | 120.0° | 120.0° |
| C6 | C4 | C3 | H27 | 80.7° | 65.0° |
| C6 | C4 | C3 | H28 | 36.4° | 175.0° |
| C6 | C4 | O | H29 | 60.2° | 180.0° |
| C3 | C4 | C5 | H1 | 59.7° | 180.0° |
| C3 | C4 | C5 | H2 | 179.8° | 60.0° |
| C3 | C4 | C5 | H3 | 60.3° | 60.0° |
| C3 | C4 | C6 | H4 | 60.7° | 60.0° |
| C3 | C4 | C6 | H5 | 59.3° | 60.0° |
| C3 | C4 | C6 | H6 | 179.3° | 180.0° |
| C4 | C3 | H27 | H28 | 115.4° | 120.0° |
| C3 | C4 | O | H29 | 59.5° | 60.0° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H9 | C13 | C20 | H14 | 179.4° | 57.6° |
| H9 | C13 | C20 | H15 | 59.9° | 177.7° |
| H9 | C13 | C14 | H23 | 61.3° | 177.8° |
| H9 | C13 | C14 | H24 | 179.1° | 57.6° |
| H10 | C15 | C14 | H23 | 60.6° | 179.3° |
| H10 | C15 | C14 | H24 | 179.7° | 59.1° |
| H11 | C15 | C14 | H23 | 59.4° | 59.3° |
| H11 | C15 | C14 | H24 | 60.2° | 60.9° |
| H12 | C17 | C16 | H20 | 134.4° | 22.4° |
| H13 | C17 | C16 | H20 | 9.0° | 154.0° |
| H14 | C20 | C19 | H17 | 57.4° | 59.1° |
| H14 | C20 | C19 | H18 | 177.4° | 60.9° |
| H15 | C20 | C19 | H17 | 62.2° | 179.2° |
| H15 | C20 | C19 | H18 | 57.8° | 59.2° |
| H20 | C16 | C18 | H21 | 8.7° | 154.2° |
| H20 | C16 | C18 | H22 | 134.4° | 22.5° |
