BQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C5 | sing | 1.51Å | 1.49Å | |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | F | sing | 1.35Å | 1.34Å | |
| C5 | N6 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| N6 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.38Å | Aromatic |
| C8 | S28 | sing | 1.76Å | 1.76Å | |
| C9 | C11 | sing | 1.47Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | O13 | doub | 1.22Å | 1.23Å | |
| C12 | N14 | sing | 1.35Å | 1.37Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| N14 | C23 | sing | 1.47Å | 1.45Å | |
| C15 | C18 | sing | 1.54Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C23 | sing | 1.53Å | 1.55Å | |
| C18 | C26 | sing | 1.47Å | 1.45Å | |
| C26 | N27 | trip | 1.14Å | 1.16Å | |
| S28 | O29 | doub | 1.42Å | 1.45Å | |
| S28 | O30 | doub | 1.42Å | 1.45Å | |
| S28 | N31 | sing | 1.66Å | 1.69Å | |
| N31 | C33 | sing | 1.46Å | 1.49Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | C43 | sing | 1.53Å | 1.54Å | |
| C35 | O38 | sing | 1.43Å | 1.43Å | |
| O38 | C41 | sing | 1.36Å | 1.37Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C02 | CL | sing | 1.51Å | 1.72Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C01 | H04 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| N31 | H1 | sing | 0.97Å | 1.00Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C43 | H45 | sing | 1.09Å | 1.10Å | |
| C43 | H44 | sing | 1.09Å | 1.10Å | |
| CL | H2 | sing | 1.09Å | 1.10Å | |
| CL | H3 | sing | 1.09Å | 1.10Å | |
| CL | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C | C41 | 120.2° | 120.2° |
| C | C03 | C02 | 119.5° | 119.9° |
| C | C03 | F | 119.4° | 120.0° |
| C03 | C | H | 119.9° | 120.0° |
| C | C41 | O38 | 115.5° | 118.5° |
| C | C41 | C42 | 120.5° | 119.7° |
| C41 | C | H | 119.9° | 119.9° |
| C02 | C01 | C42 | 120.4° | 120.4° |
| C01 | C02 | C03 | 120.5° | 120.0° |
| C01 | C02 | CL | 119.4° | 120.0° |
| C02 | C01 | H04 | 119.8° | 119.8° |
| C01 | C42 | C41 | 118.8° | 119.8° |
| C01 | C42 | C43 | 120.6° | 118.7° |
| C42 | C01 | H04 | 119.8° | 119.8° |
| C1 | C5 | N6 | 120.6° | 125.8° |
| C1 | C5 | C11 | 131.1° | 125.8° |
| C5 | C1 | H11 | 109.5° | 109.4° |
| C5 | C1 | H12 | 109.4° | 109.5° |
| C5 | C1 | H13 | 109.5° | 109.5° |
| C02 | C03 | F | 121.1° | 120.1° |
| C03 | C02 | CL | 120.1° | 120.0° |
| N6 | C5 | C11 | 108.3° | 108.4° |
| C5 | N6 | C8 | 110.1° | 110.3° |
| C5 | N6 | H7 | 124.9° | 124.8° |
| C5 | C11 | C9 | 105.7° | 106.1° |
| C5 | C11 | C12 | 124.7° | 126.9° |
| N6 | C8 | C9 | 106.9° | 108.8° |
| N6 | C8 | S28 | 119.4° | 125.6° |
| C8 | N6 | H7 | 124.9° | 124.9° |
| C9 | C8 | S28 | 133.7° | 125.6° |
| C8 | C9 | C11 | 108.9° | 106.4° |
| C8 | C9 | H10 | 125.6° | 126.8° |
| C8 | S28 | O29 | 103.8° | 106.4° |
| C8 | S28 | O30 | 104.2° | 106.4° |
| C8 | S28 | N31 | 112.3° | 107.2° |
| C9 | C11 | C12 | 129.6° | 127.0° |
| C11 | C9 | H10 | 125.5° | 126.8° |
| C11 | C12 | O13 | 121.0° | 120.0° |
| C11 | C12 | N14 | 117.7° | 120.0° |
| O13 | C12 | N14 | 121.2° | 120.0° |
| C12 | N14 | C15 | 136.1° | 136.0° |
| C12 | N14 | C23 | 129.1° | 136.0° |
| C15 | N14 | C23 | 94.7° | 87.9° |
| N14 | C15 | C18 | 87.2° | 88.0° |
| N14 | C15 | H17 | 114.7° | 113.4° |
| N14 | C15 | H16 | 114.7° | 113.5° |
| N14 | C23 | C18 | 87.1° | 88.1° |
| N14 | C23 | H25 | 114.7° | 113.5° |
| N14 | C23 | H24 | 114.7° | 113.5° |
| C15 | C18 | C19 | 114.1° | 114.2° |
| C15 | C18 | C23 | 87.3° | 83.4° |
| C15 | C18 | C26 | 114.2° | 114.2° |
| C18 | C15 | H17 | 114.7° | 113.4° |
| C18 | C15 | H16 | 114.7° | 113.5° |
| C19 | C18 | C23 | 113.7° | 114.3° |
| C19 | C18 | C26 | 111.4° | 113.3° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.4° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C23 | C18 | C26 | 114.4° | 114.2° |
| C18 | C23 | H25 | 114.7° | 113.4° |
| C18 | C23 | H24 | 114.7° | 113.4° |
| C18 | C26 | N27 | 179.9° | 180.0° |
| O29 | S28 | O30 | 120.3° | 123.2° |
| O29 | S28 | N31 | 107.5° | 106.4° |
| O30 | S28 | N31 | 108.6° | 106.4° |
| S28 | N31 | C33 | 118.8° | 120.0° |
| S28 | N31 | H1 | 107.1° | 119.9° |
| N31 | C33 | C35 | 110.5° | 109.7° |
| N31 | C33 | C43 | 110.7° | 109.7° |
| C33 | N31 | H1 | 107.1° | 120.0° |
| N31 | C33 | H33 | 109.6° | 109.7° |
| C35 | C33 | C43 | 107.9° | 108.3° |
| C33 | C35 | O38 | 112.0° | 108.4° |
| C35 | C33 | H33 | 109.1° | 109.7° |
| C33 | C35 | H51 | 108.8° | 109.7° |
| C33 | C35 | H52 | 108.8° | 109.7° |
| C33 | C43 | C42 | 109.9° | 109.7° |
| C43 | C33 | H33 | 109.0° | 109.7° |
| C33 | C43 | H45 | 109.4° | 109.4° |
| C33 | C43 | H44 | 109.4° | 109.4° |
| C35 | O38 | C41 | 115.1° | 117.9° |
| O38 | C35 | H51 | 108.8° | 109.6° |
| O38 | C35 | H52 | 108.9° | 109.6° |
| O38 | C41 | C42 | 124.0° | 121.8° |
| C41 | C42 | C43 | 120.6° | 121.4° |
| C42 | C43 | H45 | 109.4° | 109.4° |
| C42 | C43 | H44 | 109.4° | 109.4° |
| C02 | CL | H2 | 109.5° | 109.5° |
| C02 | CL | H3 | 109.5° | 109.5° |
| C02 | CL | H4 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H17 | C15 | H16 | 109.5° | 112.8° |
| H22 | C19 | H20 | 109.5° | 109.4° |
| H22 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H25 | C23 | H24 | 109.5° | 112.8° |
| H51 | C35 | H52 | 109.5° | 109.7° |
| H45 | C43 | H44 | 109.5° | 109.5° |
| H2 | CL | H3 | 109.5° | 109.5° |
| H2 | CL | H4 | 109.5° | 109.5° |
| H3 | CL | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C | C41 | H | 180.0° | 179.7° |
| C | C03 | C02 | C01 | 0.6° | 0.1° |
| C | C03 | C02 | F | 179.7° | 180.0° |
| C03 | C | C41 | O38 | 179.5° | 179.7° |
| C03 | C | C41 | C42 | 1.6° | 0.1° |
| C | C03 | C02 | CL | 179.6° | 179.9° |
| C | C41 | C42 | C01 | 2.4° | 0.2° |
| C41 | C | C03 | C02 | 0.0° | 0.1° |
| C41 | C | C03 | F | 179.7° | 179.9° |
| C | C41 | O38 | C35 | 169.1° | 162.9° |
| C | C41 | O38 | C42 | 177.9° | 179.8° |
| C | C41 | C42 | C43 | 177.6° | 179.6° |
| C02 | C01 | C42 | H04 | 180.0° | 180.0° |
| C01 | C02 | C03 | CL | 179.8° | 180.0° |
| C01 | C02 | C03 | F | 179.7° | 179.9° |
| C02 | C01 | C42 | C41 | 1.8° | 0.1° |
| C02 | C01 | C42 | C43 | 178.3° | 179.6° |
| C01 | C02 | CL | H2 | 90.1° | 89.9° |
| C01 | C02 | CL | H3 | 149.9° | 150.0° |
| C01 | C02 | CL | H4 | 29.9° | 30.0° |
| C42 | C01 | C02 | C03 | 0.3° | 0.0° |
| C01 | C42 | C43 | C33 | 160.9° | 162.3° |
| C01 | C42 | C41 | O38 | 179.8° | 179.6° |
| C01 | C42 | C41 | C43 | 179.9° | 179.8° |
| C42 | C01 | C02 | CL | 179.5° | 180.0° |
| C01 | C42 | C43 | H45 | 40.9° | 42.2° |
| C01 | C42 | C43 | H44 | 79.0° | 77.7° |
| C1 | C5 | N6 | C11 | 179.9° | 179.7° |
| C1 | C5 | N6 | C8 | 180.0° | 179.9° |
| C1 | C5 | C11 | C9 | 179.4° | 179.9° |
| C1 | C5 | C11 | C12 | 1.7° | 0.0° |
| C5 | C1 | H11 | H12 | 120.0° | 120.0° |
| C5 | C1 | H11 | H13 | 120.0° | 120.0° |
| C5 | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | C5 | N6 | H7 | 0.0° | 0.0° |
| C02 | C03 | C | H | 180.0° | 179.6° |
| C03 | C02 | C01 | H04 | 179.7° | 180.0° |
| C03 | C02 | CL | H2 | 90.1° | 90.0° |
| C03 | C02 | CL | H3 | 29.9° | 30.0° |
| C03 | C02 | CL | H4 | 149.9° | 150.0° |
| F | C03 | C02 | CL | 0.1° | 0.1° |
| F | C03 | C | H | 0.3° | 0.4° |
| C5 | N6 | C8 | H7 | 180.0° | 179.9° |
| C5 | N6 | C8 | C9 | 0.6° | 0.0° |
| C5 | N6 | C8 | S28 | 179.7° | 180.0° |
| N6 | C5 | C11 | C9 | 0.7° | 0.4° |
| N6 | C5 | C11 | C12 | 178.4° | 179.7° |
| N6 | C5 | C1 | H11 | 90.0° | 90.1° |
| N6 | C5 | C1 | H12 | 150.0° | 150.0° |
| N6 | C5 | C1 | H13 | 30.0° | 29.9° |
| C11 | C5 | N6 | C8 | 0.1° | 0.2° |
| C5 | C11 | C9 | C8 | 1.1° | 0.4° |
| C5 | C11 | C9 | C12 | 177.5° | 179.9° |
| C5 | C11 | C12 | O13 | 35.2° | 0.0° |
| C5 | C11 | C12 | N14 | 145.7° | 180.0° |
| C11 | C5 | C1 | H11 | 89.9° | 90.3° |
| C11 | C5 | C1 | H12 | 30.1° | 29.6° |
| C11 | C5 | C1 | H13 | 150.0° | 149.7° |
| C11 | C5 | N6 | H7 | 179.9° | 179.7° |
| C5 | C11 | C9 | H10 | 178.9° | 179.8° |
| N6 | C8 | C9 | S28 | 178.9° | 179.9° |
| N6 | C8 | C9 | C11 | 1.0° | 0.3° |
| N6 | C8 | S28 | O29 | 42.2° | 156.4° |
| N6 | C8 | S28 | O30 | 169.0° | 23.5° |
| N6 | C8 | S28 | N31 | 73.7° | 90.1° |
| N6 | C8 | C9 | H10 | 179.0° | 179.9° |
| C8 | C9 | C11 | H10 | 180.0° | 179.8° |
| C8 | C9 | C11 | C12 | 178.6° | 179.7° |
| C9 | C8 | S28 | O29 | 136.6° | 23.5° |
| C9 | C8 | S28 | O30 | 9.8° | 156.5° |
| C9 | C8 | S28 | N31 | 107.6° | 90.0° |
| C9 | C8 | N6 | H7 | 179.4° | 179.9° |
| S28 | C8 | C9 | C11 | 179.9° | 179.8° |
| C8 | S28 | O29 | O30 | 115.9° | 123.0° |
| C8 | S28 | O29 | N31 | 119.2° | 114.0° |
| C8 | S28 | O30 | N31 | 119.9° | 114.1° |
| C8 | S28 | N31 | C33 | 52.8° | 65.0° |
| S28 | C8 | N6 | H7 | 0.3° | 0.1° |
| S28 | C8 | C9 | H10 | 0.1° | 0.0° |
| C8 | S28 | N31 | H1 | 68.5° | 115.0° |
| C9 | C11 | C12 | O13 | 147.7° | 179.9° |
| C9 | C11 | C12 | N14 | 31.4° | 0.1° |
| C11 | C12 | O13 | N14 | 179.1° | 180.0° |
| C11 | C12 | N14 | C15 | 17.8° | 180.0° |
| C11 | C12 | N14 | C23 | 163.6° | 0.4° |
| C12 | C11 | C9 | H10 | 1.4° | 0.1° |
| O13 | C12 | N14 | C15 | 161.3° | 0.0° |
| O13 | C12 | N14 | C23 | 17.3° | 179.6° |
| C12 | N14 | C15 | C23 | 178.9° | 179.7° |
| C12 | N14 | C15 | C18 | 163.9° | 152.8° |
| C12 | N14 | C23 | C18 | 163.9° | 152.8° |
| C12 | N14 | C15 | H17 | 47.9° | 92.5° |
| C12 | N14 | C15 | H16 | 80.2° | 38.0° |
| C12 | N14 | C23 | H25 | 80.1° | 38.1° |
| C12 | N14 | C23 | H24 | 48.0° | 92.5° |
| N14 | C15 | C18 | H17 | 116.0° | 114.7° |
| N14 | C15 | C18 | H16 | 116.0° | 114.8° |
| N14 | C15 | C18 | C19 | 100.7° | 139.6° |
| C15 | N14 | C23 | C18 | 15.1° | 26.9° |
| N14 | C15 | C18 | C26 | 129.6° | 87.7° |
| N14 | C15 | H17 | H16 | 130.6° | 130.8° |
| C15 | N14 | C23 | H25 | 100.9° | 141.6° |
| C15 | N14 | C23 | H24 | 131.1° | 87.8° |
| N14 | C23 | C18 | C19 | 101.1° | 139.5° |
| N14 | C23 | C18 | H25 | 116.0° | 114.9° |
| N14 | C23 | C18 | H24 | 116.0° | 114.8° |
| N14 | C23 | C18 | C26 | 129.4° | 87.7° |
| C23 | N14 | C15 | H17 | 131.0° | 87.8° |
| C23 | N14 | C15 | H16 | 100.9° | 141.7° |
| N14 | C23 | H25 | H24 | 130.6° | 130.8° |
| C15 | C18 | C19 | C23 | 98.0° | 93.8° |
| C15 | C18 | C19 | C26 | 131.0° | 133.0° |
| C15 | C18 | C23 | C26 | 115.4° | 113.6° |
| C15 | C18 | C26 | N27 | 65.4° | 87.4° |
| C18 | C15 | H17 | H16 | 130.6° | 130.8° |
| C15 | C18 | C19 | H22 | 180.0° | 60.0° |
| C15 | C18 | C19 | H20 | 60.0° | 180.0° |
| C15 | C18 | C19 | H21 | 60.0° | 60.0° |
| C15 | C18 | C23 | H25 | 101.9° | 140.7° |
| C15 | C18 | C23 | H24 | 130.0° | 88.9° |
| C19 | C18 | C23 | C26 | 129.5° | 132.8° |
| C19 | C18 | C26 | N27 | 65.5° | 139.5° |
| C19 | C18 | C15 | H17 | 15.2° | 24.9° |
| C19 | C18 | C15 | H16 | 143.3° | 105.6° |
| C18 | C19 | H22 | H20 | 120.0° | 119.9° |
| C18 | C19 | H22 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C19 | C18 | C23 | H25 | 142.9° | 105.6° |
| C19 | C18 | C23 | H24 | 14.9° | 24.7° |
| C23 | C18 | C26 | N27 | 163.8° | 6.3° |
| C23 | C18 | C15 | H17 | 130.1° | 88.9° |
| C23 | C18 | C15 | H16 | 101.9° | 140.7° |
| C23 | C18 | C19 | H22 | 82.0° | 153.8° |
| C23 | C18 | C19 | H20 | 38.0° | 86.3° |
| C23 | C18 | C19 | H21 | 158.0° | 33.7° |
| C18 | C23 | H25 | H24 | 130.7° | 130.6° |
| C26 | C18 | C15 | H17 | 114.4° | 157.5° |
| C26 | C18 | C15 | H16 | 13.6° | 27.0° |
| C26 | C18 | C19 | H22 | 49.0° | 73.0° |
| C26 | C18 | C19 | H20 | 169.0° | 46.9° |
| C26 | C18 | C19 | H21 | 71.0° | 166.9° |
| C26 | C18 | C23 | H25 | 13.5° | 27.1° |
| C26 | C18 | C23 | H24 | 114.6° | 157.5° |
| O29 | S28 | O30 | N31 | 124.4° | 123.0° |
| O29 | S28 | N31 | C33 | 166.4° | 48.5° |
| O29 | S28 | N31 | H1 | 45.1° | 131.5° |
| O30 | S28 | N31 | C33 | 61.9° | 178.5° |
| O30 | S28 | N31 | H1 | 176.8° | 1.5° |
| S28 | N31 | C33 | H1 | 121.3° | 180.0° |
| S28 | N31 | C33 | C35 | 85.7° | 95.0° |
| S28 | N31 | C33 | C43 | 154.8° | 146.1° |
| S28 | N31 | C33 | H33 | 34.6° | 25.6° |
| N31 | C33 | C35 | C43 | 121.2° | 119.7° |
| N31 | C33 | C35 | H33 | 120.6° | 120.6° |
| N31 | C33 | C43 | H33 | 120.6° | 120.6° |
| N31 | C33 | C35 | O38 | 174.9° | 175.6° |
| N31 | C33 | C43 | C42 | 169.4° | 168.0° |
| N31 | C33 | C35 | H51 | 64.8° | 64.7° |
| N31 | C33 | C35 | H52 | 54.5° | 55.9° |
| N31 | C33 | C43 | H45 | 70.6° | 72.0° |
| N31 | C33 | C43 | H44 | 49.3° | 47.9° |
| C35 | C33 | C43 | H33 | 118.3° | 119.7° |
| C33 | C35 | O38 | H51 | 120.4° | 119.7° |
| C33 | C35 | O38 | H52 | 120.4° | 119.8° |
| C33 | C35 | O38 | C41 | 45.5° | 49.1° |
| C35 | C33 | C43 | C42 | 48.3° | 48.2° |
| C35 | C33 | N31 | H1 | 153.0° | 85.0° |
| C33 | C35 | H51 | H52 | 118.8° | 120.6° |
| C35 | C33 | C43 | H45 | 168.3° | 168.3° |
| C35 | C33 | C43 | H44 | 71.8° | 71.8° |
| C43 | C33 | C35 | O38 | 64.0° | 64.7° |
| C33 | C43 | C42 | C41 | 19.1° | 18.0° |
| C33 | C43 | C42 | H45 | 120.0° | 120.0° |
| C33 | C43 | C42 | H44 | 120.0° | 120.0° |
| C43 | C33 | N31 | H1 | 33.5° | 33.8° |
| C43 | C33 | C35 | H51 | 56.4° | 55.0° |
| C43 | C33 | C35 | H52 | 175.6° | 175.6° |
| C33 | C43 | H45 | H44 | 119.8° | 119.9° |
| C35 | O38 | C41 | C42 | 13.0° | 17.2° |
| O38 | C35 | C33 | H33 | 54.2° | 55.0° |
| O38 | C35 | H51 | H52 | 118.9° | 120.4° |
| O38 | C41 | C42 | C43 | 0.1° | 0.6° |
| O38 | C41 | C | H | 0.5° | 0.0° |
| C41 | O38 | C35 | H51 | 74.9° | 70.6° |
| C41 | O38 | C35 | H52 | 165.9° | 168.9° |
| C42 | C41 | C | H | 178.4° | 179.8° |
| C41 | C42 | C01 | H04 | 178.2° | 179.8° |
| C41 | C42 | C43 | H45 | 139.2° | 138.0° |
| C41 | C42 | C43 | H44 | 100.9° | 102.0° |
| C43 | C42 | C01 | H04 | 1.8° | 0.4° |
| C42 | C43 | C33 | H33 | 70.0° | 71.5° |
| C42 | C43 | H45 | H44 | 119.9° | 119.9° |
| CL | C02 | C01 | H04 | 0.6° | 0.0° |
| C02 | CL | H2 | H3 | 120.0° | 120.0° |
| C02 | CL | H2 | H4 | 120.0° | 120.0° |
| C02 | CL | H3 | H4 | 120.0° | 120.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H22 | C19 | H20 | H21 | 120.0° | 120.1° |
| H1 | N31 | C33 | H33 | 86.7° | 154.4° |
| H33 | C33 | C35 | H51 | 174.6° | 174.7° |
| H33 | C33 | C35 | H52 | 66.1° | 64.7° |
| H33 | C33 | C43 | H45 | 50.0° | 48.6° |
| H33 | C33 | C43 | H44 | 169.9° | 168.5° |
| H2 | CL | H3 | H4 | 120.0° | 120.0° |
