CKJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| F | C09 | sing | 1.35Å | 1.34Å | |
| C31 | N | doub | 1.31Å | 1.37Å | Aromatic |
| N | N02 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | C33 | sing | 1.53Å | 1.54Å | |
| C01 | C35 | sing | 1.53Å | 1.53Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C25 | N01 | sing | 1.38Å | 1.35Å | |
| N01 | C02 | sing | 1.46Å | 1.46Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| N02 | C28 | sing | 1.36Å | 1.37Å | Aromatic |
| N02 | C32 | sing | 1.46Å | 1.46Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C05 | H05B | sing | 1.09Å | 1.10Å | |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C31 | sing | 1.48Å | 1.49Å | |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | N24 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N24 | C25 | doub | 1.33Å | 1.35Å | Aromatic |
| N26 | C25 | sing | 1.32Å | 1.35Å | Aromatic |
| C28 | N26 | doub | 1.33Å | 1.39Å | Aromatic |
| C31 | C27 | sing | 1.46Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.32Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | C38 | sing | 1.53Å | 1.54Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | N39 | sing | 1.47Å | 1.45Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| N39 | HN39 | sing | 1.01Å | 1.00Å | |
| N39 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C | C06 | 120.7° | 119.9° |
| C10 | C | H | 119.7° | 120.1° |
| C | C10 | C09 | 119.2° | 120.1° |
| C | C10 | H10 | 120.4° | 119.9° |
| C06 | C | H | 119.7° | 120.0° |
| C | C06 | C07 | 120.1° | 119.8° |
| C | C06 | C31 | 118.0° | 120.1° |
| F | C09 | C08 | 120.5° | 119.9° |
| F | C09 | C10 | 119.2° | 119.9° |
| C31 | N | N02 | 105.3° | 110.0° |
| N | C31 | C06 | 122.5° | 126.3° |
| N | C31 | C27 | 109.4° | 107.4° |
| N | N02 | C28 | 108.4° | 109.4° |
| N | N02 | C32 | 125.6° | 125.3° |
| C32 | C01 | C33 | 112.5° | 109.5° |
| C32 | C01 | C35 | 109.0° | 109.4° |
| C32 | C01 | H01 | 107.5° | 109.5° |
| C01 | C32 | N02 | 109.5° | 109.5° |
| C01 | C32 | H32 | 109.4° | 109.5° |
| C01 | C32 | H32A | 109.5° | 109.4° |
| C33 | C01 | C35 | 108.9° | 109.5° |
| C33 | C01 | H01 | 107.6° | 109.5° |
| C01 | C33 | C38 | 112.1° | 109.4° |
| C01 | C33 | H33 | 108.6° | 109.5° |
| C01 | C33 | H33A | 108.6° | 109.5° |
| C35 | C01 | H01 | 111.3° | 109.5° |
| C01 | C35 | C36 | 111.3° | 109.4° |
| C01 | C35 | H35 | 108.8° | 109.5° |
| C01 | C35 | H35A | 108.8° | 109.5° |
| C25 | N01 | C02 | 121.2° | 120.0° |
| C25 | N01 | HN01 | 105.7° | 120.0° |
| N01 | C25 | N24 | 120.7° | 118.7° |
| N01 | C25 | N26 | 119.2° | 118.8° |
| C02 | N01 | HN01 | 105.8° | 120.0° |
| N01 | C02 | C03 | 115.0° | 109.5° |
| N01 | C02 | H02 | 107.7° | 109.5° |
| N01 | C02 | H02A | 107.7° | 109.5° |
| C03 | C02 | H02 | 107.6° | 109.5° |
| C03 | C02 | H02A | 107.7° | 109.4° |
| C02 | C03 | C04 | 111.3° | 109.5° |
| C02 | C03 | H03 | 108.9° | 109.5° |
| C02 | C03 | H03A | 108.9° | 109.5° |
| H02 | C02 | H02A | 111.2° | 109.5° |
| C28 | N02 | C32 | 126.1° | 125.3° |
| N02 | C28 | N26 | 127.2° | 134.4° |
| N02 | C28 | C27 | 110.5° | 106.9° |
| N02 | C32 | H32 | 109.5° | 109.5° |
| N02 | C32 | H32A | 109.4° | 109.4° |
| C04 | C03 | H03 | 108.9° | 109.5° |
| C04 | C03 | H03A | 108.9° | 109.4° |
| C03 | C04 | C05 | 111.9° | 109.5° |
| C03 | C04 | H04 | 108.7° | 109.4° |
| C03 | C04 | H04A | 108.7° | 109.4° |
| H03 | C03 | H03A | 110.0° | 109.5° |
| C05 | C04 | H04 | 108.7° | 109.5° |
| C05 | C04 | H04A | 108.7° | 109.5° |
| C04 | C05 | H05 | 109.5° | 109.4° |
| C04 | C05 | H05A | 109.5° | 109.5° |
| C04 | C05 | H05B | 109.5° | 109.4° |
| H04 | C04 | H04A | 110.2° | 109.5° |
| H05 | C05 | H05A | 109.5° | 109.5° |
| H05 | C05 | H05B | 109.4° | 109.5° |
| H05A | C05 | H05B | 109.5° | 109.5° |
| C07 | C06 | C31 | 121.8° | 120.1° |
| C06 | C07 | C08 | 119.2° | 119.9° |
| C06 | C07 | H07 | 120.4° | 120.0° |
| C06 | C31 | C27 | 128.1° | 126.3° |
| C08 | C07 | H07 | 120.4° | 120.1° |
| C07 | C08 | C09 | 120.4° | 120.1° |
| C07 | C08 | H08 | 119.8° | 120.0° |
| C09 | C08 | H08 | 119.8° | 119.9° |
| C08 | C09 | C10 | 120.4° | 120.2° |
| C09 | C10 | H10 | 120.4° | 119.9° |
| C27 | C23 | N24 | 118.3° | 118.6° |
| C27 | C23 | H23 | 120.9° | 120.6° |
| C23 | C27 | C31 | 134.1° | 135.0° |
| C23 | C27 | C28 | 119.5° | 118.7° |
| N24 | C23 | H23 | 120.8° | 120.7° |
| C23 | N24 | C25 | 122.2° | 121.2° |
| N24 | C25 | N26 | 120.1° | 122.4° |
| C25 | N26 | C28 | 117.7° | 120.4° |
| N26 | C28 | C27 | 122.3° | 118.7° |
| C31 | C27 | C28 | 106.4° | 106.3° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| C38 | C33 | H33 | 108.6° | 109.4° |
| C38 | C33 | H33A | 108.6° | 109.5° |
| C33 | C38 | C37 | 112.4° | 109.5° |
| C33 | C38 | H38 | 108.5° | 109.5° |
| C33 | C38 | H38A | 108.5° | 109.4° |
| H33 | C33 | H33A | 110.3° | 109.5° |
| C36 | C35 | H35 | 108.9° | 109.5° |
| C36 | C35 | H35A | 108.9° | 109.5° |
| C35 | C36 | C37 | 112.1° | 109.5° |
| C35 | C36 | H36 | 108.6° | 109.5° |
| C35 | C36 | H36A | 108.6° | 109.5° |
| H35 | C35 | H35A | 110.1° | 109.5° |
| C37 | C36 | H36 | 108.6° | 109.4° |
| C37 | C36 | H36A | 108.6° | 109.6° |
| C36 | C37 | C38 | 111.2° | 109.4° |
| C36 | C37 | N39 | 107.8° | 109.5° |
| C36 | C37 | H37 | 110.0° | 109.5° |
| H36 | C36 | H36A | 110.3° | 109.4° |
| C38 | C37 | N39 | 110.9° | 109.5° |
| C38 | C37 | H37 | 106.7° | 109.5° |
| C37 | C38 | H38 | 108.5° | 109.5° |
| C37 | C38 | H38A | 108.5° | 109.4° |
| N39 | C37 | H37 | 110.2° | 109.5° |
| C37 | N39 | HN39 | 109.5° | 111.0° |
| C37 | N39 | HN3A | 109.4° | 111.0° |
| H38 | C38 | H38A | 110.4° | 109.5° |
| HN39 | N39 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C | C06 | H | 180.0° | 179.8° |
| C | C10 | C09 | F | 179.9° | 179.7° |
| C10 | C | C06 | C07 | 0.7° | 0.2° |
| C10 | C | C06 | C31 | 179.8° | 179.8° |
| C | C10 | C09 | C08 | 0.5° | 0.5° |
| C | C10 | C09 | H10 | 180.0° | 179.7° |
| C | C06 | C31 | N | 25.0° | 35.0° |
| C | C06 | C07 | C31 | 179.1° | 180.0° |
| C | C06 | C07 | C08 | 0.5° | 0.0° |
| C | C06 | C07 | H07 | 179.5° | 180.0° |
| C06 | C | C10 | C09 | 0.6° | 0.5° |
| C06 | C | C10 | H10 | 179.4° | 179.8° |
| C | C06 | C31 | C27 | 155.1° | 144.9° |
| H | C | C06 | C07 | 179.3° | 180.0° |
| H | C | C06 | C31 | 0.2° | 0.0° |
| H | C | C10 | C09 | 179.4° | 179.7° |
| H | C | C10 | H10 | 0.6° | 0.0° |
| F | C09 | C08 | C07 | 180.0° | 180.0° |
| F | C09 | C08 | C10 | 179.6° | 179.8° |
| F | C09 | C08 | H08 | 0.0° | 0.1° |
| F | C09 | C10 | H10 | 0.1° | 0.0° |
| C31 | N | N02 | C28 | 0.4° | 0.0° |
| C31 | N | N02 | C32 | 179.5° | 180.0° |
| N | C31 | C06 | C07 | 154.1° | 145.0° |
| N | C31 | C06 | C27 | 179.9° | 180.0° |
| N | C31 | C27 | C23 | 179.7° | 180.0° |
| N | C31 | C27 | C28 | 0.1° | 0.0° |
| N | N02 | C32 | C01 | 75.3° | 90.0° |
| N | N02 | C28 | C32 | 179.8° | 180.0° |
| N02 | N | C31 | C06 | 179.6° | 180.0° |
| N | N02 | C28 | N26 | 179.3° | 180.0° |
| N02 | N | C31 | C27 | 0.3° | 0.0° |
| N | N02 | C28 | C27 | 0.3° | 0.0° |
| N | N02 | C32 | H32 | 44.7° | 30.0° |
| N | N02 | C32 | H32A | 164.7° | 150.0° |
| C32 | C01 | C33 | C35 | 120.9° | 120.0° |
| C32 | C01 | C33 | H01 | 118.3° | 120.0° |
| C32 | C01 | C35 | H01 | 118.4° | 120.0° |
| C01 | C32 | N02 | C28 | 104.5° | 89.9° |
| C01 | C32 | N02 | H32 | 120.0° | 120.0° |
| C01 | C32 | N02 | H32A | 120.0° | 120.0° |
| C01 | C32 | H32 | H32A | 120.0° | 120.0° |
| C32 | C01 | C33 | C38 | 178.0° | 180.0° |
| C32 | C01 | C33 | H33 | 62.0° | 60.0° |
| C32 | C01 | C33 | H33A | 58.0° | 60.0° |
| C32 | C01 | C35 | C36 | 178.3° | 180.0° |
| C32 | C01 | C35 | H35 | 61.7° | 60.0° |
| C32 | C01 | C35 | H35A | 58.3° | 60.0° |
| C33 | C01 | C35 | H01 | 118.5° | 120.0° |
| C33 | C01 | C32 | N02 | 54.0° | 175.0° |
| C33 | C01 | C32 | H32 | 174.0° | 65.0° |
| C33 | C01 | C32 | H32A | 66.0° | 55.0° |
| C01 | C33 | C38 | H33 | 120.0° | 120.0° |
| C01 | C33 | C38 | H33A | 120.0° | 120.0° |
| C01 | C33 | H33 | H33A | 118.9° | 120.0° |
| C33 | C01 | C35 | C36 | 58.6° | 60.0° |
| C33 | C01 | C35 | H35 | 61.3° | 60.0° |
| C33 | C01 | C35 | H35A | 178.7° | 180.0° |
| C01 | C33 | C38 | C37 | 54.0° | 60.1° |
| C01 | C33 | C38 | H38 | 66.0° | 60.0° |
| C01 | C33 | C38 | H38A | 174.0° | 180.0° |
| C35 | C01 | C32 | N02 | 174.9° | 65.0° |
| C35 | C01 | C32 | H32 | 65.1° | 55.0° |
| C35 | C01 | C32 | H32A | 54.9° | 175.0° |
| C35 | C01 | C33 | C38 | 57.1° | 60.0° |
| C35 | C01 | C33 | H33 | 177.1° | 180.0° |
| C35 | C01 | C33 | H33A | 62.9° | 60.0° |
| C01 | C35 | C36 | H35 | 120.0° | 120.0° |
| C01 | C35 | C36 | H35A | 120.0° | 120.0° |
| C01 | C35 | H35 | H35A | 119.2° | 120.0° |
| C01 | C35 | C36 | C37 | 57.4° | 60.0° |
| C01 | C35 | C36 | H36 | 177.4° | 180.0° |
| C01 | C35 | C36 | H36A | 62.6° | 60.1° |
| H01 | C01 | C32 | N02 | 64.3° | 55.0° |
| H01 | C01 | C32 | H32 | 55.6° | 175.0° |
| H01 | C01 | C32 | H32A | 175.6° | 65.0° |
| H01 | C01 | C33 | C38 | 63.7° | 60.0° |
| H01 | C01 | C33 | H33 | 56.3° | 60.0° |
| H01 | C01 | C33 | H33A | 176.3° | 180.0° |
| H01 | C01 | C35 | C36 | 59.9° | 60.0° |
| H01 | C01 | C35 | H35 | 179.8° | 180.0° |
| H01 | C01 | C35 | H35A | 60.2° | 60.0° |
| C25 | N01 | C02 | HN01 | 120.0° | 179.9° |
| C25 | N01 | C02 | C03 | 62.1° | 180.0° |
| C25 | N01 | C02 | H02 | 177.9° | 60.0° |
| C25 | N01 | C02 | H02A | 57.9° | 60.0° |
| N01 | C25 | N24 | C23 | 179.6° | 180.0° |
| N01 | C25 | N24 | N26 | 179.2° | 179.9° |
| N01 | C25 | N26 | C28 | 179.0° | 179.9° |
| N01 | C02 | C03 | H02 | 120.0° | 120.1° |
| N01 | C02 | C03 | H02A | 120.0° | 120.0° |
| N01 | C02 | H02 | H02A | 117.7° | 120.0° |
| N01 | C02 | C03 | C04 | 179.1° | 180.0° |
| N01 | C02 | C03 | H03 | 60.9° | 60.0° |
| N01 | C02 | C03 | H03A | 59.1° | 60.0° |
| C02 | N01 | C25 | N24 | 173.0° | 0.0° |
| C02 | N01 | C25 | N26 | 6.2° | 179.9° |
| HN01 | N01 | C02 | C03 | 57.9° | 0.0° |
| HN01 | N01 | C02 | H02 | 62.1° | 120.0° |
| HN01 | N01 | C02 | H02A | 177.9° | 119.9° |
| HN01 | N01 | C25 | N24 | 53.0° | 180.0° |
| HN01 | N01 | C25 | N26 | 126.2° | 0.2° |
| C03 | C02 | H02 | H02A | 117.7° | 119.9° |
| C02 | C03 | C04 | H03 | 120.0° | 120.1° |
| C02 | C03 | C04 | H03A | 120.0° | 120.0° |
| C02 | C03 | H03 | H03A | 119.2° | 120.0° |
| C02 | C03 | C04 | C05 | 84.7° | 180.0° |
| C02 | C03 | C04 | H04 | 155.3° | 60.0° |
| C02 | C03 | C04 | H04A | 35.3° | 60.0° |
| H02 | C02 | C03 | C04 | 59.1° | 59.9° |
| H02 | C02 | C03 | H03 | 179.1° | 180.0° |
| H02 | C02 | C03 | H03A | 60.9° | 60.0° |
| H02A | C02 | C03 | C04 | 60.9° | 60.0° |
| H02A | C02 | C03 | H03 | 59.2° | 60.0° |
| H02A | C02 | C03 | H03A | 179.1° | 180.0° |
| N02 | C28 | C27 | C23 | 180.0° | 180.0° |
| N02 | C28 | N26 | C25 | 179.9° | 180.0° |
| N02 | C28 | N26 | C27 | 179.6° | 180.0° |
| N02 | C28 | C27 | C31 | 0.1° | 0.0° |
| C28 | N02 | C32 | H32 | 135.5° | 150.0° |
| C28 | N02 | C32 | H32A | 15.6° | 30.0° |
| C32 | N02 | C28 | N26 | 0.9° | 0.0° |
| C32 | N02 | C28 | C27 | 179.5° | 180.0° |
| N02 | C32 | H32 | H32A | 120.0° | 120.0° |
| C04 | C03 | H03 | H03A | 119.3° | 119.9° |
| C03 | C04 | C05 | H04 | 120.0° | 120.0° |
| C03 | C04 | C05 | H04A | 120.0° | 119.9° |
| C03 | C04 | H04 | H04A | 119.0° | 119.9° |
| C03 | C04 | C05 | H05 | 180.0° | 180.0° |
| C03 | C04 | C05 | H05A | 60.0° | 60.0° |
| C03 | C04 | C05 | H05B | 60.0° | 60.0° |
| H03 | C03 | C04 | C05 | 35.3° | 59.9° |
| H03 | C03 | C04 | H04 | 84.7° | 180.0° |
| H03 | C03 | C04 | H04A | 155.3° | 60.0° |
| H03A | C03 | C04 | C05 | 155.3° | 60.0° |
| H03A | C03 | C04 | H04 | 35.2° | 60.0° |
| H03A | C03 | C04 | H04A | 84.7° | 180.0° |
| C05 | C04 | H04 | H04A | 119.0° | 120.1° |
| C04 | C05 | H05 | H05A | 120.0° | 120.0° |
| C04 | C05 | H05 | H05B | 120.0° | 120.0° |
| C04 | C05 | H05A | H05B | 120.0° | 120.0° |
| H04 | C04 | C05 | H05 | 60.0° | 60.1° |
| H04 | C04 | C05 | H05A | 180.0° | 179.9° |
| H04 | C04 | C05 | H05B | 60.0° | 60.0° |
| H04A | C04 | C05 | H05 | 60.0° | 60.0° |
| H04A | C04 | C05 | H05A | 60.0° | 60.0° |
| H04A | C04 | C05 | H05B | 180.0° | 179.9° |
| H05 | C05 | H05A | H05B | 120.0° | 120.1° |
| C06 | C07 | C08 | H07 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.4° | 0.0° |
| C06 | C07 | C08 | H08 | 179.6° | 180.0° |
| C07 | C06 | C31 | C27 | 25.8° | 35.0° |
| C31 | C06 | C07 | C08 | 179.6° | 180.0° |
| C31 | C06 | C07 | H07 | 0.3° | 0.0° |
| C06 | C31 | C27 | C23 | 0.4° | 0.0° |
| C06 | C31 | C27 | C28 | 179.8° | 180.0° |
| C07 | C08 | C09 | H08 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.4° | 0.3° |
| H07 | C07 | C08 | C09 | 179.6° | 180.0° |
| H07 | C07 | C08 | H08 | 0.4° | 0.0° |
| C08 | C09 | C10 | H10 | 179.5° | 179.8° |
| H08 | C08 | C09 | C10 | 179.6° | 179.7° |
| C27 | C23 | N24 | H23 | 180.0° | 179.9° |
| C27 | C23 | N24 | C25 | 0.6° | 0.1° |
| C23 | C27 | C28 | N26 | 0.4° | 0.0° |
| C23 | C27 | C31 | C28 | 179.8° | 180.0° |
| C23 | N24 | C25 | N26 | 0.4° | 0.1° |
| N24 | C23 | C27 | C31 | 180.0° | 180.0° |
| N24 | C23 | C27 | C28 | 0.2° | 0.0° |
| H23 | C23 | N24 | C25 | 179.4° | 180.0° |
| H23 | C23 | C27 | C31 | 0.0° | 0.1° |
| H23 | C23 | C27 | C28 | 179.8° | 179.9° |
| N24 | C25 | N26 | C28 | 0.2° | 0.1° |
| C25 | N26 | C28 | C27 | 0.5° | 0.0° |
| N26 | C28 | C27 | C31 | 179.5° | 180.0° |
| C38 | C33 | H33 | H33A | 119.0° | 120.0° |
| C33 | C38 | C37 | C36 | 50.5° | 60.1° |
| C33 | C38 | C37 | H38 | 120.0° | 120.1° |
| C33 | C38 | C37 | H38A | 120.0° | 120.0° |
| C33 | C38 | C37 | N39 | 170.4° | 180.0° |
| C33 | C38 | C37 | H37 | 69.5° | 59.9° |
| C33 | C38 | H38 | H38A | 118.8° | 120.0° |
| H33 | C33 | C38 | C37 | 174.0° | 180.0° |
| H33 | C33 | C38 | H38 | 54.0° | 59.9° |
| H33 | C33 | C38 | H38A | 66.0° | 60.0° |
| H33A | C33 | C38 | C37 | 66.0° | 59.9° |
| H33A | C33 | C38 | H38 | 174.0° | NaN° |
| H33A | C33 | C38 | H38A | 54.0° | 60.0° |
| C36 | C35 | H35 | H35A | 119.3° | 120.0° |
| C35 | C36 | C37 | H36 | 120.0° | 120.0° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36A | 118.9° | 120.0° |
| C35 | C36 | C37 | C38 | 52.2° | 60.0° |
| C35 | C36 | C37 | N39 | 174.0° | 180.0° |
| C35 | C36 | C37 | H37 | 65.8° | 59.9° |
| H35 | C35 | C36 | C37 | 62.6° | 60.0° |
| H35 | C35 | C36 | H36 | 57.4° | 60.0° |
| H35 | C35 | C36 | H36A | 177.4° | 179.9° |
| H35A | C35 | C36 | C37 | 177.4° | 180.0° |
| H35A | C35 | C36 | H36 | 62.6° | 60.0° |
| H35A | C35 | C36 | H36A | 57.4° | 59.9° |
| C37 | C36 | H36 | H36A | 118.9° | 120.1° |
| C36 | C37 | C38 | N39 | 119.9° | 119.9° |
| C36 | C37 | C38 | H37 | 120.0° | 120.0° |
| C36 | C37 | N39 | H37 | 120.0° | 120.1° |
| C36 | C37 | C38 | H38 | 69.5° | 60.0° |
| C36 | C37 | C38 | H38A | 170.5° | 180.0° |
| C36 | C37 | N39 | HN39 | 180.0° | 179.9° |
| C36 | C37 | N39 | HN3A | 60.0° | 56.1° |
| H36 | C36 | C37 | C38 | 172.2° | 180.0° |
| H36 | C36 | C37 | N39 | 66.0° | 60.0° |
| H36 | C36 | C37 | H37 | 54.2° | 60.0° |
| H36A | C36 | C37 | C38 | 67.8° | 60.0° |
| H36A | C36 | C37 | N39 | 54.0° | 60.0° |
| H36A | C36 | C37 | H37 | 174.2° | 180.0° |
| C38 | C37 | N39 | H37 | 118.0° | 120.0° |
| C37 | C38 | H38 | H38A | 118.8° | 120.0° |
| C38 | C37 | N39 | HN39 | 58.1° | 60.0° |
| C38 | C37 | N39 | HN3A | 178.1° | 176.0° |
| N39 | C37 | C38 | H38 | 50.4° | 59.9° |
| N39 | C37 | C38 | H38A | 69.6° | 60.0° |
| C37 | N39 | HN39 | HN3A | 120.0° | 124.0° |
| H37 | C37 | C38 | H38 | 170.5° | 180.0° |
| H37 | C37 | C38 | H38A | 50.5° | 60.0° |
| H37 | C37 | N39 | HN39 | 59.9° | 60.0° |
| H37 | C37 | N39 | HN3A | 60.0° | 63.9° |
