OT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | N2 | doub | 1.36Å | 1.36Å | Aromatic |
| C1 | IR | sing | 2.05Å | 2.05Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| C3 | N2 | sing | 1.45Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.50Å | 1.50Å | |
| C10 | C12 | sing | 1.43Å | 1.43Å | |
| C10 | C18 | sing | 1.43Å | 1.43Å | |
| C10 | IR | sing | 2.15Å | 2.15Å | |
| C12 | C13 | sing | 1.50Å | 1.50Å | |
| C12 | C14 | sing | 1.45Å | 1.45Å | |
| C12 | IR | sing | 2.15Å | 2.15Å | |
| C14 | C15 | sing | 1.49Å | 1.49Å | |
| C14 | C16 | sing | 1.40Å | 1.40Å | |
| C14 | IR | sing | 2.23Å | 2.23Å | |
| C16 | C17 | sing | 1.50Å | 1.50Å | |
| C16 | C18 | sing | 1.43Å | 1.43Å | |
| C16 | IR | sing | 2.21Å | 2.21Å | |
| C18 | C19 | sing | 1.50Å | 1.50Å | |
| C18 | IR | sing | 2.14Å | 2.14Å | |
| IR | CL1 | sing | 2.40Å | 2.40Å | |
| C2 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C2 | H3 | sing | 1.10Å | 1.10Å | |
| C3 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C11 | H12 | sing | 1.10Å | 1.10Å | |
| C11 | H13 | sing | 1.10Å | 1.10Å | |
| C13 | H14 | sing | 1.10Å | 1.10Å | |
| C13 | H15 | sing | 1.10Å | 1.10Å | |
| C13 | H16 | sing | 1.10Å | 1.10Å | |
| C15 | H17 | sing | 1.10Å | 1.10Å | |
| C15 | H18 | sing | 1.10Å | 1.10Å | |
| C15 | H19 | sing | 1.10Å | 1.10Å | |
| C17 | H20 | sing | 1.10Å | 1.10Å | |
| C17 | H21 | sing | 1.10Å | 1.10Å | |
| C17 | H22 | sing | 1.10Å | 1.10Å | |
| C19 | H23 | sing | 1.10Å | 1.10Å | |
| C19 | H24 | sing | 1.10Å | 1.10Å | |
| C19 | H25 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 104.9° | 104.9° |
| N1 | C1 | IR | 127.7° | 127.7° |
| C1 | N1 | C2 | 128.0° | 128.0° |
| C1 | N1 | C5 | 111.2° | 111.2° |
| N2 | C1 | IR | 127.4° | 127.4° |
| C1 | N2 | C3 | 127.6° | 127.6° |
| C1 | N2 | C4 | 111.1° | 111.1° |
| C1 | IR | C10 | 92.9° | 92.9° |
| C1 | IR | C12 | 113.2° | 113.2° |
| C1 | IR | C14 | 151.8° | 151.8° |
| C1 | IR | C16 | 146.7° | 146.7° |
| C1 | IR | C18 | 108.6° | 108.6° |
| C1 | IR | CL1 | 88.2° | 88.2° |
| C2 | N1 | C5 | 120.8° | 120.8° |
| N1 | C2 | H1 | 109.5° | 109.5° |
| N1 | C2 | H2 | 109.5° | 109.5° |
| N1 | C2 | H3 | 109.5° | 109.5° |
| C3 | N2 | C4 | 121.3° | 121.3° |
| N2 | C3 | H4 | 109.5° | 109.5° |
| N2 | C3 | H5 | 109.5° | 109.5° |
| N2 | C3 | H6 | 109.4° | 109.4° |
| C5 | C4 | C9 | 121.7° | 121.7° |
| C5 | C4 | N2 | 106.2° | 106.2° |
| C4 | C5 | C6 | 122.2° | 122.2° |
| C4 | C5 | N1 | 106.6° | 106.6° |
| C9 | C4 | N2 | 132.1° | 132.1° |
| C4 | C9 | C8 | 116.4° | 116.4° |
| C4 | C9 | H10 | 121.8° | 121.8° |
| C6 | C5 | N1 | 131.2° | 131.2° |
| C5 | C6 | C7 | 116.3° | 116.3° |
| C5 | C6 | H7 | 121.8° | 121.8° |
| C6 | C7 | C8 | 121.3° | 121.3° |
| C7 | C6 | H7 | 121.9° | 121.9° |
| C6 | C7 | H8 | 119.3° | 119.3° |
| C7 | C8 | C9 | 122.0° | 122.0° |
| C8 | C7 | H8 | 119.3° | 119.3° |
| C7 | C8 | H9 | 119.0° | 119.0° |
| C9 | C8 | H9 | 119.0° | 119.0° |
| C8 | C9 | H10 | 121.8° | 121.8° |
| C11 | C10 | C12 | 127.5° | 127.5° |
| C11 | C10 | C18 | 124.1° | 124.1° |
| C11 | C10 | IR | 127.2° | 127.2° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.4° | 109.4° |
| C12 | C10 | C18 | 108.4° | 108.4° |
| C12 | C10 | IR | 70.7° | 70.7° |
| C10 | C12 | C13 | 127.9° | 127.9° |
| C10 | C12 | C14 | 106.1° | 106.1° |
| C10 | C12 | IR | 70.6° | 70.6° |
| C18 | C10 | IR | 70.1° | 70.1° |
| C10 | C18 | C16 | 108.0° | 108.0° |
| C10 | C18 | C19 | 127.1° | 127.1° |
| C10 | C18 | IR | 70.9° | 70.9° |
| C10 | IR | C12 | 38.7° | 38.7° |
| C10 | IR | C14 | 63.3° | 63.3° |
| C10 | IR | C16 | 64.3° | 64.3° |
| C10 | IR | C18 | 39.0° | 39.0° |
| C10 | IR | CL1 | 138.8° | 138.8° |
| C13 | C12 | C14 | 125.8° | 125.8° |
| C13 | C12 | IR | 125.2° | 125.2° |
| C12 | C13 | H14 | 109.5° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C14 | C12 | IR | 73.7° | 73.7° |
| C12 | C14 | C15 | 124.9° | 124.9° |
| C12 | C14 | C16 | 109.5° | 109.5° |
| C12 | C14 | IR | 67.7° | 67.7° |
| C12 | IR | C14 | 38.7° | 38.7° |
| C12 | IR | C16 | 64.5° | 64.5° |
| C12 | IR | C18 | 65.4° | 65.4° |
| C12 | IR | CL1 | 157.4° | 157.4° |
| C15 | C14 | C16 | 125.4° | 125.4° |
| C15 | C14 | IR | 131.9° | 131.9° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.4° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C16 | C14 | IR | 70.6° | 70.6° |
| C14 | C16 | C17 | 126.5° | 126.5° |
| C14 | C16 | C18 | 107.8° | 107.8° |
| C14 | C16 | IR | 72.7° | 72.7° |
| C14 | IR | C16 | 36.6° | 36.6° |
| C14 | IR | C18 | 63.0° | 63.0° |
| C14 | IR | CL1 | 119.4° | 119.4° |
| C17 | C16 | C18 | 125.7° | 125.7° |
| C17 | C16 | IR | 125.7° | 125.7° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C18 | C16 | IR | 68.2° | 68.2° |
| C16 | C18 | C19 | 124.0° | 124.0° |
| C16 | C18 | IR | 73.2° | 73.2° |
| C16 | IR | C18 | 38.5° | 38.5° |
| C16 | IR | CL1 | 93.8° | 93.8° |
| C19 | C18 | IR | 130.1° | 130.1° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | IR | CL1 | 102.2° | 102.2° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.4° | 109.4° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | IR | 178.7° | 178.7° |
| C1 | N1 | C2 | C5 | 179.6° | 179.6° |
| N1 | C1 | N2 | C3 | 179.7° | 179.7° |
| C1 | N1 | C5 | C4 | 0.0° | 0.0° |
| N1 | C1 | N2 | C4 | 0.5° | 0.5° |
| C1 | N1 | C5 | C6 | 179.4° | 179.4° |
| N1 | C1 | IR | C10 | 104.6° | 104.6° |
| N1 | C1 | IR | C12 | 70.5° | 70.5° |
| N1 | C1 | IR | C14 | 73.8° | 73.8° |
| N1 | C1 | IR | C16 | 149.1° | 149.1° |
| N1 | C1 | IR | C18 | 141.1° | 141.1° |
| N1 | C1 | IR | CL1 | 116.6° | 116.6° |
| C1 | N1 | C2 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | H2 | 60.0° | 60.0° |
| C1 | N1 | C2 | H3 | 60.0° | 60.0° |
| N2 | C1 | N1 | C2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 179.8° | 179.8° |
| C1 | N2 | C4 | C5 | 0.5° | 0.5° |
| C1 | N2 | C4 | C9 | 179.7° | 179.7° |
| N2 | C1 | N1 | C5 | 0.3° | 0.3° |
| N2 | C1 | IR | C10 | 77.0° | 77.0° |
| N2 | C1 | IR | C12 | 111.0° | 111.0° |
| N2 | C1 | IR | C14 | 107.8° | 107.8° |
| N2 | C1 | IR | C16 | 32.5° | 32.5° |
| N2 | C1 | IR | C18 | 40.5° | 40.5° |
| N2 | C1 | IR | CL1 | 61.8° | 61.8° |
| C1 | N2 | C3 | H4 | 180.0° | 180.0° |
| C1 | N2 | C3 | H5 | 60.0° | 60.0° |
| C1 | N2 | C3 | H6 | 60.0° | 60.0° |
| IR | C1 | N1 | C2 | 1.3° | 1.3° |
| IR | C1 | N2 | C3 | 0.9° | 0.9° |
| IR | C1 | N2 | C4 | 179.2° | 179.2° |
| IR | C1 | N1 | C5 | 179.1° | 179.1° |
| C1 | IR | C10 | C11 | 1.7° | 1.7° |
| C1 | IR | C12 | C10 | 63.4° | 63.4° |
| C1 | IR | C18 | C10 | 70.6° | 70.6° |
| C1 | IR | C10 | C14 | 164.3° | 164.3° |
| C1 | IR | C10 | C16 | 154.7° | 154.7° |
| C1 | IR | C10 | CL1 | 90.6° | 90.6° |
| C1 | IR | C12 | C13 | 59.8° | 59.8° |
| C1 | IR | C14 | C12 | 4.7° | 4.7° |
| C1 | IR | C12 | C16 | 143.4° | 143.4° |
| C1 | IR | C12 | C18 | 100.7° | 100.7° |
| C1 | IR | C12 | CL1 | 161.0° | 161.0° |
| C1 | IR | C14 | C15 | 122.3° | 122.3° |
| C1 | IR | C16 | C14 | 130.1° | 130.1° |
| C1 | IR | C14 | C18 | 78.9° | 78.9° |
| C1 | IR | C14 | CL1 | 168.1° | 168.1° |
| C1 | IR | C16 | C17 | 106.9° | 106.9° |
| C1 | IR | C18 | C16 | 173.0° | 173.0° |
| C1 | IR | C16 | CL1 | 92.6° | 92.6° |
| C1 | IR | C18 | C19 | 52.2° | 52.2° |
| C1 | IR | C18 | CL1 | 92.3° | 92.3° |
| C2 | N1 | C5 | C4 | 179.7° | 179.7° |
| C2 | N1 | C5 | C6 | 0.3° | 0.3° |
| N1 | C2 | H1 | H2 | 120.0° | 120.0° |
| N1 | C2 | H1 | H3 | 120.0° | 120.0° |
| N1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C3 | N2 | C4 | C5 | 179.7° | 179.7° |
| C3 | N2 | C4 | C9 | 0.1° | 0.1° |
| N2 | C3 | H4 | H5 | 120.0° | 120.0° |
| N2 | C3 | H4 | H6 | 120.0° | 120.0° |
| N2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C5 | C4 | C9 | N2 | 179.8° | 179.8° |
| C4 | C5 | C6 | N1 | 179.4° | 179.4° |
| C4 | C5 | C6 | C7 | 0.3° | 0.3° |
| C5 | C4 | C9 | C8 | 0.2° | 0.2° |
| C4 | C5 | C6 | H7 | 179.7° | 179.7° |
| C5 | C4 | C9 | H10 | 179.7° | 179.7° |
| C9 | C4 | C5 | C6 | 0.4° | 0.4° |
| C9 | C4 | C5 | N1 | 179.9° | 179.9° |
| C4 | C9 | C8 | C7 | 0.0° | 0.0° |
| C4 | C9 | C8 | H10 | 180.0° | 180.0° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 179.8° | 179.8° |
| N2 | C4 | C5 | N1 | 0.3° | 0.3° |
| N2 | C4 | C9 | C8 | 180.0° | 180.0° |
| C4 | N2 | C3 | H4 | 0.2° | 0.2° |
| C4 | N2 | C3 | H5 | 120.2° | 120.2° |
| C4 | N2 | C3 | H6 | 119.8° | 119.8° |
| N2 | C4 | C9 | H10 | 0.0° | 0.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| N1 | C5 | C6 | C7 | 179.6° | 179.6° |
| C5 | N1 | C2 | H1 | 0.4° | 0.4° |
| C5 | N1 | C2 | H2 | 119.6° | 119.6° |
| C5 | N1 | C2 | H3 | 120.4° | 120.4° |
| N1 | C5 | C6 | H7 | 0.3° | 0.3° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.2° |
| C6 | C7 | C8 | H9 | 179.8° | 179.8° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H8 | 179.8° | 179.8° |
| C11 | C10 | C12 | C18 | 177.2° | 177.2° |
| C11 | C10 | C12 | IR | 122.6° | 122.6° |
| C11 | C10 | C18 | IR | 122.1° | 122.1° |
| C11 | C10 | C12 | C13 | 2.6° | 2.6° |
| C11 | C10 | C12 | C14 | 171.8° | 171.8° |
| C11 | C10 | IR | C14 | 162.5° | 162.5° |
| C11 | C10 | C18 | C16 | 173.6° | 173.6° |
| C11 | C10 | IR | C16 | 156.5° | 156.5° |
| C11 | C10 | C18 | C19 | 4.3° | 4.3° |
| C11 | C10 | IR | CL1 | 92.3° | 92.3° |
| C10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C12 | C10 | C18 | IR | 60.6° | 60.6° |
| C10 | C12 | C13 | C14 | 173.3° | 173.3° |
| C10 | C12 | C13 | IR | 91.9° | 91.9° |
| C10 | C12 | C14 | IR | 63.5° | 63.5° |
| C10 | C12 | C14 | C15 | 170.0° | 170.0° |
| C10 | C12 | C14 | C16 | 5.3° | 5.3° |
| C12 | C10 | C18 | C16 | 3.8° | 3.8° |
| C10 | C12 | IR | C16 | 80.0° | 80.0° |
| C12 | C10 | C18 | C19 | 173.1° | 173.1° |
| C12 | C10 | IR | CL1 | 144.8° | 144.8° |
| C12 | C10 | C11 | H11 | 180.0° | 180.0° |
| C12 | C10 | C11 | H12 | 60.0° | 60.0° |
| C12 | C10 | C11 | H13 | 60.0° | 60.0° |
| C10 | C12 | C13 | H14 | 180.0° | 180.0° |
| C10 | C12 | C13 | H15 | 60.0° | 60.0° |
| C10 | C12 | C13 | H16 | 60.0° | 60.0° |
| C18 | C10 | C12 | C13 | 179.8° | 179.8° |
| C18 | C10 | C12 | C14 | 5.5° | 5.5° |
| C10 | C18 | C16 | C14 | 0.4° | 0.4° |
| C10 | C18 | IR | C14 | 80.1° | 80.1° |
| C10 | C18 | C16 | C17 | 178.1° | 178.1° |
| C10 | C18 | C16 | C19 | 169.7° | 169.7° |
| C10 | C18 | C16 | IR | 62.8° | 62.8° |
| C10 | C18 | C19 | IR | 95.7° | 95.7° |
| C18 | C10 | IR | CL1 | 25.9° | 25.9° |
| C18 | C10 | C11 | H11 | 3.1° | 3.1° |
| C18 | C10 | C11 | H12 | 116.8° | 116.8° |
| C18 | C10 | C11 | H13 | 123.2° | 123.2° |
| C10 | C18 | C19 | H23 | 180.0° | 180.0° |
| C10 | C18 | C19 | H24 | 60.0° | 60.0° |
| C10 | C18 | C19 | H25 | 60.0° | 60.0° |
| C10 | IR | C14 | C15 | 157.3° | 157.3° |
| C10 | IR | C16 | C14 | 79.2° | 79.2° |
| C10 | IR | C14 | CL1 | 133.1° | 133.1° |
| C10 | IR | C16 | C17 | 157.9° | 157.9° |
| C10 | IR | C16 | CL1 | 143.5° | 143.5° |
| IR | C10 | C11 | H11 | 86.7° | 86.7° |
| IR | C10 | C11 | H12 | 153.4° | 153.4° |
| IR | C10 | C11 | H13 | 33.4° | 33.4° |
| C13 | C12 | C14 | IR | 121.9° | 121.9° |
| C13 | C12 | C14 | C15 | 4.5° | 4.5° |
| C13 | C12 | C14 | C16 | 179.8° | 179.8° |
| C13 | C12 | IR | C16 | 156.8° | 156.8° |
| C13 | C12 | IR | C18 | 160.6° | 160.6° |
| C13 | C12 | IR | CL1 | 139.1° | 139.1° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H16 | 120.0° | 120.0° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| C12 | C14 | C15 | C16 | 174.6° | 174.6° |
| C12 | C14 | C15 | IR | 90.2° | 90.2° |
| C12 | C14 | C16 | IR | 56.5° | 56.5° |
| C12 | C14 | C16 | C17 | 178.5° | 178.5° |
| C12 | C14 | C16 | C18 | 3.0° | 3.0° |
| C12 | C14 | IR | C18 | 83.7° | 83.7° |
| C14 | C12 | IR | CL1 | 16.5° | 16.5° |
| C14 | C12 | C13 | H14 | 6.6° | 6.6° |
| C14 | C12 | C13 | H15 | 126.7° | 126.7° |
| C14 | C12 | C13 | H16 | 113.3° | 113.3° |
| C12 | C14 | C15 | H17 | 180.0° | 180.0° |
| C12 | C14 | C15 | H18 | 60.0° | 60.0° |
| C12 | C14 | C15 | H19 | 60.0° | 60.0° |
| C12 | IR | C16 | C17 | 159.0° | 159.0° |
| C12 | IR | C18 | C16 | 79.4° | 79.4° |
| C12 | IR | C16 | CL1 | 173.3° | 173.3° |
| C12 | IR | C18 | C19 | 159.9° | 159.9° |
| C12 | IR | C18 | CL1 | 160.1° | 160.1° |
| IR | C12 | C13 | H14 | 88.1° | 88.1° |
| IR | C12 | C13 | H15 | 31.9° | 31.9° |
| IR | C12 | C13 | H16 | 151.9° | 151.9° |
| C15 | C14 | C16 | IR | 128.2° | 128.2° |
| C15 | C14 | C16 | C17 | 6.2° | 6.2° |
| C15 | C14 | C16 | C18 | 172.3° | 172.3° |
| C15 | C14 | IR | C18 | 158.8° | 158.8° |
| C15 | C14 | IR | CL1 | 69.7° | 69.7° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H19 | 120.0° | 120.0° |
| C14 | C15 | H18 | H19 | 120.0° | 120.0° |
| C14 | C16 | C17 | C18 | 178.2° | 178.2° |
| C14 | C16 | C17 | IR | 94.4° | 94.4° |
| C14 | C16 | C18 | IR | 62.4° | 62.4° |
| C14 | C16 | C18 | C19 | 170.2° | 170.2° |
| C16 | C14 | IR | CL1 | 51.0° | 51.0° |
| C16 | C14 | C15 | H17 | 5.4° | 5.4° |
| C16 | C14 | C15 | H18 | 125.5° | 125.4° |
| C16 | C14 | C15 | H19 | 114.6° | 114.6° |
| C14 | C16 | C17 | H20 | 180.0° | 180.0° |
| C14 | C16 | C17 | H21 | 60.0° | 60.0° |
| C14 | C16 | C17 | H22 | 60.0° | 60.0° |
| C14 | IR | C18 | C19 | 157.0° | 157.0° |
| C14 | IR | C18 | CL1 | 117.0° | 117.0° |
| IR | C14 | C15 | H17 | 89.8° | 89.8° |
| IR | C14 | C15 | H18 | 30.2° | 30.2° |
| IR | C14 | C15 | H19 | 150.2° | 150.2° |
| C17 | C16 | C18 | IR | 119.1° | 119.1° |
| C17 | C16 | C18 | C19 | 8.3° | 8.3° |
| C17 | C16 | IR | CL1 | 14.3° | 14.3° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H22 | 120.0° | 120.0° |
| C16 | C18 | C19 | IR | 96.5° | 96.5° |
| C18 | C16 | IR | CL1 | 104.8° | 104.8° |
| C18 | C16 | C17 | H20 | 1.7° | 1.7° |
| C18 | C16 | C17 | H21 | 121.8° | 121.8° |
| C18 | C16 | C17 | H22 | 118.3° | 118.3° |
| C16 | C18 | C19 | H23 | 12.3° | 12.3° |
| C16 | C18 | C19 | H24 | 107.7° | 107.7° |
| C16 | C18 | C19 | H25 | 132.3° | 132.3° |
| IR | C16 | C17 | H20 | 85.6° | 85.6° |
| IR | C16 | C17 | H21 | 34.4° | 34.4° |
| IR | C16 | C17 | H22 | 154.4° | 154.4° |
| C19 | C18 | IR | CL1 | 40.0° | 40.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| IR | C18 | C19 | H23 | 84.3° | 84.3° |
| IR | C18 | C19 | H24 | 155.7° | 155.7° |
| IR | C18 | C19 | H25 | 35.8° | 35.8° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C6 | C7 | H8 | 0.0° | 0.0° |
| H8 | C7 | C8 | H9 | 0.2° | 0.2° |
| H9 | C8 | C9 | H10 | 0.0° | 0.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
