CL4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C4 | doub | 1.31Å | 1.33Å | |
| C1 | HC1 | sing | 1.08Å | 1.08Å | |
| C2 | N3 | sing | 1.47Å | 1.44Å | |
| C2 | HC21 | sing | 1.09Å | 1.10Å | |
| C2 | HC22 | sing | 1.09Å | 1.10Å | |
| N3 | C30 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.46Å | |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C5 | O6 | sing | 1.44Å | 1.45Å | |
| C5 | C7 | sing | 1.54Å | 1.51Å | |
| C5 | HC5 | sing | 1.09Å | 1.10Å | |
| O6 | C11 | sing | 1.44Å | 1.44Å | |
| C7 | O8 | sing | 1.43Å | 1.43Å | |
| C7 | C9 | sing | 1.55Å | 1.52Å | |
| C7 | HC7 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| C9 | C11 | sing | 1.54Å | 1.55Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | N12 | sing | 1.46Å | 1.49Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N12 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| N12 | C21 | sing | 1.37Å | 1.39Å | Aromatic |
| C13 | N14 | doub | 1.30Å | 1.32Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N14 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | N17 | sing | 1.38Å | 1.37Å | |
| C16 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N17 | H172 | sing | 0.97Å | 1.00Å | |
| N18 | C19 | doub | 1.32Å | 1.36Å | Aromatic |
| C19 | N20 | sing | 1.32Å | 1.33Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | C21 | doub | 1.33Å | 1.35Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | O29 | sing | 1.36Å | 1.36Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | O28 | sing | 1.36Å | 1.36Å | |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | N32 | sing | 1.48Å | 1.46Å | |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C30 | sing | 1.48Å | 1.46Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C30 | O31 | doub | 1.22Å | 1.22Å | |
| N32 | O33 | doub | 1.22Å | 1.24Å | |
| N32 | O34 | sing | 1.22Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.0° | 120.1° |
| C2 | C1 | HC1 | 120.0° | 120.0° |
| C1 | C2 | N3 | 109.6° | 109.5° |
| C1 | C2 | HC21 | 109.4° | 109.5° |
| C1 | C2 | HC22 | 109.4° | 109.5° |
| C4 | C1 | HC1 | 120.0° | 120.0° |
| C1 | C4 | C5 | 120.7° | 120.0° |
| C1 | C4 | HC4 | 119.7° | 120.0° |
| N3 | C2 | HC21 | 109.4° | 109.5° |
| N3 | C2 | HC22 | 109.4° | 109.5° |
| C2 | N3 | C30 | 122.7° | 120.0° |
| C2 | N3 | HN3 | 118.7° | 120.0° |
| HC21 | C2 | HC22 | 109.6° | 109.4° |
| C30 | N3 | HN3 | 118.7° | 120.0° |
| N3 | C30 | C27 | 117.7° | 120.0° |
| N3 | C30 | O31 | 119.3° | 120.1° |
| C5 | C4 | HC4 | 119.7° | 120.0° |
| C4 | C5 | O6 | 107.1° | 110.4° |
| C4 | C5 | C7 | 109.5° | 110.4° |
| C4 | C5 | HC5 | 110.1° | 110.3° |
| O6 | C5 | C7 | 106.5° | 104.8° |
| O6 | C5 | HC5 | 112.9° | 110.4° |
| C5 | O6 | C11 | 111.1° | 105.3° |
| C7 | C5 | HC5 | 110.6° | 110.4° |
| C5 | C7 | O8 | 109.8° | 110.5° |
| C5 | C7 | C9 | 102.5° | 104.1° |
| C5 | C7 | HC7 | 114.1° | 110.6° |
| O6 | C11 | C9 | 104.3° | 104.9° |
| O6 | C11 | N12 | 109.8° | 110.4° |
| O6 | C11 | H11 | 113.2° | 110.4° |
| O8 | C7 | C9 | 110.5° | 110.5° |
| O8 | C7 | HC7 | 106.6° | 110.4° |
| C7 | O8 | HO8 | 109.5° | 106.7° |
| C9 | C7 | HC7 | 113.4° | 110.6° |
| C7 | C9 | O10 | 108.3° | 110.6° |
| C7 | C9 | C11 | 103.9° | 104.0° |
| C7 | C9 | HC9 | 113.9° | 110.5° |
| O10 | C9 | C11 | 109.8° | 110.8° |
| O10 | C9 | HC9 | 108.4° | 110.5° |
| C9 | O10 | H10 | 109.5° | 106.8° |
| C11 | C9 | HC9 | 112.5° | 110.4° |
| C9 | C11 | N12 | 111.3° | 110.4° |
| C9 | C11 | H11 | 111.8° | 110.4° |
| N12 | C11 | H11 | 106.5° | 110.3° |
| C11 | N12 | C13 | 123.3° | 126.3° |
| C11 | N12 | C21 | 131.7° | 126.3° |
| C13 | N12 | C21 | 104.9° | 107.5° |
| N12 | C13 | N14 | 112.8° | 110.0° |
| N12 | C13 | H13 | 123.6° | 125.0° |
| N12 | C21 | C15 | 105.8° | 106.0° |
| N12 | C21 | N20 | 130.4° | 134.9° |
| N14 | C13 | H13 | 123.6° | 125.0° |
| C13 | N14 | C15 | 105.1° | 109.5° |
| N14 | C15 | C16 | 131.9° | 134.7° |
| N14 | C15 | C21 | 111.4° | 107.1° |
| C16 | C15 | C21 | 116.7° | 118.2° |
| C15 | C16 | N17 | 121.7° | 120.7° |
| C15 | C16 | N18 | 118.9° | 118.4° |
| C15 | C21 | N20 | 123.8° | 119.1° |
| N17 | C16 | N18 | 119.5° | 120.8° |
| C16 | N17 | H171 | 109.5° | 120.0° |
| C16 | N17 | H172 | 109.5° | 120.1° |
| C16 | N18 | C19 | 119.4° | 121.2° |
| H171 | N17 | H172 | 109.5° | 120.0° |
| N18 | C19 | N20 | 125.0° | 122.5° |
| N18 | C19 | H19 | 117.5° | 118.8° |
| N20 | C19 | H19 | 117.5° | 118.8° |
| C19 | N20 | C21 | 116.2° | 120.6° |
| C23 | C22 | C27 | 120.5° | 119.7° |
| C23 | C22 | O29 | 117.2° | 120.2° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C22 | C23 | O28 | 117.5° | 120.0° |
| C27 | C22 | O29 | 122.4° | 120.1° |
| C22 | C27 | C26 | 119.3° | 119.7° |
| C22 | C27 | C30 | 121.7° | 120.2° |
| C22 | O29 | H29 | 109.5° | 106.8° |
| C24 | C23 | O28 | 122.2° | 120.0° |
| C23 | C24 | C25 | 118.3° | 120.3° |
| C23 | C24 | H24 | 120.8° | 119.9° |
| C23 | O28 | H28 | 109.5° | 106.8° |
| C25 | C24 | H24 | 120.9° | 119.8° |
| C24 | C25 | C26 | 122.7° | 120.4° |
| C24 | C25 | N32 | 118.3° | 119.8° |
| C26 | C25 | N32 | 119.0° | 119.8° |
| C25 | C26 | C27 | 118.8° | 120.0° |
| C25 | C26 | H26 | 120.6° | 120.0° |
| C25 | N32 | O33 | 118.0° | 120.0° |
| C25 | N32 | O34 | 120.8° | 120.0° |
| C27 | C26 | H26 | 120.6° | 120.0° |
| C26 | C27 | C30 | 119.0° | 120.1° |
| C27 | C30 | O31 | 122.9° | 120.0° |
| O33 | N32 | O34 | 121.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | HC1 | 180.0° | 180.0° |
| C1 | C2 | N3 | HC21 | 119.9° | 120.1° |
| C1 | C2 | N3 | HC22 | 120.0° | 120.0° |
| C1 | C2 | HC21 | HC22 | 120.0° | 119.9° |
| C1 | C2 | N3 | C30 | 135.0° | 180.0° |
| C1 | C2 | N3 | HN3 | 45.0° | 0.1° |
| C2 | C1 | C4 | C5 | 178.8° | 180.0° |
| C2 | C1 | C4 | HC4 | 1.2° | 0.0° |
| C4 | C1 | C2 | N3 | 165.7° | 125.0° |
| C4 | C1 | C2 | HC21 | 45.7° | 115.0° |
| C4 | C1 | C2 | HC22 | 74.3° | 5.0° |
| C1 | C4 | C5 | HC4 | 180.0° | 180.0° |
| C1 | C4 | C5 | O6 | 136.9° | 6.5° |
| C1 | C4 | C5 | C7 | 108.0° | 121.9° |
| C1 | C4 | C5 | HC5 | 13.9° | 115.8° |
| HC1 | C1 | C2 | N3 | 14.3° | 55.0° |
| HC1 | C1 | C2 | HC21 | 134.3° | 65.1° |
| HC1 | C1 | C2 | HC22 | 105.7° | 175.0° |
| HC1 | C1 | C4 | C5 | 1.2° | 0.0° |
| HC1 | C1 | C4 | HC4 | 178.8° | 180.0° |
| N3 | C2 | HC21 | HC22 | 120.0° | 120.0° |
| C2 | N3 | C30 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C30 | C27 | 170.8° | 180.0° |
| C2 | N3 | C30 | O31 | 11.5° | 0.0° |
| HC21 | C2 | N3 | C30 | 105.0° | 59.9° |
| HC21 | C2 | N3 | HN3 | 75.0° | 120.0° |
| HC22 | C2 | N3 | C30 | 15.0° | 60.0° |
| HC22 | C2 | N3 | HN3 | 165.0° | 120.1° |
| N3 | C30 | C27 | C22 | 8.7° | 179.7° |
| N3 | C30 | C27 | C26 | 170.2° | 0.1° |
| N3 | C30 | C27 | O31 | 177.6° | 180.0° |
| HN3 | N3 | C30 | C27 | 9.2° | 0.1° |
| HN3 | N3 | C30 | O31 | 168.5° | 180.0° |
| C4 | C5 | O6 | C7 | 117.1° | 118.9° |
| C4 | C5 | O6 | HC5 | 121.3° | 122.2° |
| C4 | C5 | C7 | HC5 | 121.5° | 122.2° |
| C4 | C5 | O6 | C11 | 104.7° | 159.4° |
| C4 | C5 | C7 | O8 | 156.0° | 98.4° |
| C4 | C5 | C7 | C9 | 86.5° | 143.0° |
| C4 | C5 | C7 | HC7 | 36.5° | 24.2° |
| HC4 | C4 | C5 | O6 | 43.1° | 173.6° |
| HC4 | C4 | C5 | C7 | 72.0° | 58.1° |
| HC4 | C4 | C5 | HC5 | 166.1° | 64.2° |
| O6 | C5 | C7 | HC5 | 123.0° | 118.9° |
| O6 | C5 | C7 | O8 | 88.5° | 142.7° |
| O6 | C5 | C7 | C9 | 29.0° | 24.1° |
| O6 | C5 | C7 | HC7 | 152.0° | 94.7° |
| C5 | O6 | C11 | C9 | 9.3° | 40.4° |
| C5 | O6 | C11 | N12 | 128.7° | 159.4° |
| C5 | O6 | C11 | H11 | 112.4° | 78.5° |
| C7 | C5 | O6 | C11 | 12.4° | 40.5° |
| C5 | C7 | O8 | C9 | 112.3° | 114.7° |
| C5 | C7 | O8 | HC7 | 124.0° | 122.7° |
| C5 | C7 | C9 | HC7 | 123.5° | 118.7° |
| C5 | C7 | O8 | HO8 | 37.6° | 61.5° |
| C5 | C7 | C9 | O10 | 150.7° | 118.8° |
| C5 | C7 | C9 | C11 | 34.0° | 0.1° |
| C5 | C7 | C9 | HC9 | 88.7° | 118.6° |
| HC5 | C5 | O6 | C11 | 134.0° | 78.3° |
| HC5 | C5 | C7 | O8 | 34.5° | 23.9° |
| HC5 | C5 | C7 | C9 | 152.0° | 94.8° |
| HC5 | C5 | C7 | HC7 | 85.0° | 146.5° |
| O6 | C11 | C9 | C7 | 27.2° | 23.8° |
| O6 | C11 | C9 | O10 | 142.8° | 142.6° |
| O6 | C11 | C9 | N12 | 118.4° | 118.9° |
| O6 | C11 | C9 | H11 | 122.7° | 118.9° |
| O6 | C11 | C9 | HC9 | 96.4° | 94.7° |
| O6 | C11 | N12 | H11 | 122.9° | 122.2° |
| O6 | C11 | N12 | C13 | 72.6° | 22.1° |
| O6 | C11 | N12 | C21 | 103.9° | 158.0° |
| O8 | C7 | C9 | HC7 | 119.6° | 122.6° |
| O8 | C7 | C9 | O10 | 33.7° | 0.1° |
| O8 | C7 | C9 | C11 | 83.0° | 118.8° |
| O8 | C7 | C9 | HC9 | 154.4° | 122.7° |
| C9 | C7 | O8 | HO8 | 150.0° | 176.1° |
| C7 | C9 | O10 | C11 | 112.8° | 114.7° |
| C7 | C9 | O10 | HC9 | 124.0° | 122.6° |
| C7 | C9 | C11 | HC9 | 123.6° | 118.5° |
| C7 | C9 | O10 | H10 | 41.2° | 61.4° |
| C7 | C9 | C11 | N12 | 145.6° | 142.7° |
| C7 | C9 | C11 | H11 | 95.5° | 95.1° |
| HC7 | C7 | O8 | HO8 | 86.4° | 61.2° |
| HC7 | C7 | C9 | O10 | 85.8° | 122.5° |
| HC7 | C7 | C9 | C11 | 157.5° | 118.6° |
| HC7 | C7 | C9 | HC9 | 34.8° | 0.1° |
| O10 | C9 | C11 | HC9 | 120.8° | 122.7° |
| O10 | C9 | C11 | N12 | 98.8° | 98.5° |
| O10 | C9 | C11 | H11 | 20.1° | 23.7° |
| C11 | C9 | O10 | H10 | 71.6° | 176.1° |
| C9 | C11 | N12 | H11 | 122.1° | 122.2° |
| C9 | C11 | N12 | C13 | 42.4° | 93.5° |
| C9 | C11 | N12 | C21 | 141.1° | 86.5° |
| HC9 | C9 | O10 | H10 | 165.2° | 61.2° |
| HC9 | C9 | C11 | N12 | 22.0° | 24.2° |
| HC9 | C9 | C11 | H11 | 140.9° | 146.4° |
| C11 | N12 | C13 | C21 | 177.3° | 180.0° |
| C11 | N12 | C13 | N14 | 177.8° | 180.0° |
| C11 | N12 | C13 | H13 | 2.2° | 0.0° |
| C11 | N12 | C21 | C15 | 177.4° | 179.7° |
| C11 | N12 | C21 | N20 | 3.0° | 0.0° |
| H11 | C11 | N12 | C13 | 164.5° | 144.3° |
| H11 | C11 | N12 | C21 | 19.0° | 35.7° |
| N12 | C13 | N14 | H13 | 180.0° | 180.0° |
| N12 | C13 | N14 | C15 | 0.3° | 0.2° |
| C13 | N12 | C21 | C15 | 0.5° | 0.3° |
| C13 | N12 | C21 | N20 | 179.9° | 180.0° |
| C21 | N12 | C13 | N14 | 0.5° | 0.0° |
| C21 | N12 | C13 | H13 | 179.5° | 180.0° |
| N12 | C21 | C15 | N14 | 0.3° | 0.4° |
| N12 | C21 | C15 | C16 | 179.8° | 179.6° |
| N12 | C21 | C15 | N20 | 179.6° | 179.8° |
| N12 | C21 | N20 | C19 | 178.5° | 180.0° |
| C13 | N14 | C15 | C16 | 179.9° | 179.5° |
| C13 | N14 | C15 | C21 | 0.0° | 0.4° |
| H13 | C13 | N14 | C15 | 179.6° | 179.7° |
| N14 | C15 | C16 | C21 | 179.9° | 179.0° |
| N14 | C15 | C16 | N17 | 2.6° | 0.7° |
| N14 | C15 | C16 | N18 | 178.4° | 179.5° |
| N14 | C15 | C21 | N20 | 179.9° | 179.8° |
| C15 | C16 | N17 | N18 | 178.9° | 179.8° |
| C15 | C16 | N17 | H171 | 124.4° | 179.7° |
| C15 | C16 | N17 | H172 | 115.6° | 0.5° |
| C15 | C16 | N18 | C19 | 1.2° | 0.2° |
| C16 | C15 | C21 | N20 | 0.2° | 0.6° |
| C21 | C15 | C16 | N17 | 177.5° | 179.7° |
| C21 | C15 | C16 | N18 | 1.5° | 0.5° |
| C15 | C21 | N20 | C19 | 2.0° | 0.2° |
| C16 | N17 | H171 | H172 | 120.1° | 179.8° |
| N17 | C16 | N18 | C19 | 177.8° | 180.0° |
| N18 | C16 | N17 | H171 | 56.6° | 0.0° |
| N18 | C16 | N17 | H172 | 63.4° | 179.7° |
| C16 | N18 | C19 | N20 | 0.8° | 0.1° |
| C16 | N18 | C19 | H19 | 179.2° | 180.0° |
| N18 | C19 | N20 | H19 | 180.0° | 179.9° |
| N18 | C19 | N20 | C21 | 2.3° | 0.1° |
| H19 | C19 | N20 | C21 | 177.7° | 180.0° |
| C23 | C22 | C27 | O29 | 179.5° | 179.5° |
| C22 | C23 | C24 | O28 | 179.4° | 179.7° |
| C22 | C23 | C24 | C25 | 0.3° | 0.3° |
| C22 | C23 | C24 | H24 | 179.6° | 179.8° |
| C23 | C22 | C27 | C26 | 1.1° | 0.6° |
| C23 | C22 | C27 | C30 | 180.0° | 179.8° |
| C22 | C23 | O28 | H28 | 131.0° | 89.7° |
| C23 | C22 | O29 | H29 | 80.3° | 90.0° |
| C27 | C22 | C23 | C24 | 1.3° | 0.6° |
| C27 | C22 | C23 | O28 | 178.1° | 179.7° |
| C22 | C27 | C26 | C25 | 0.2° | 0.3° |
| C22 | C27 | C26 | C30 | 179.0° | 179.6° |
| C22 | C27 | C26 | H26 | 179.9° | 179.8° |
| C27 | C22 | O29 | H29 | 99.2° | 90.5° |
| C22 | C27 | C30 | O31 | 168.9° | 0.3° |
| O29 | C22 | C23 | C24 | 179.1° | 180.0° |
| O29 | C22 | C23 | O28 | 1.4° | 0.3° |
| O29 | C22 | C27 | C26 | 179.4° | 180.0° |
| O29 | C22 | C27 | C30 | 0.4° | 0.3° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.9° | 0.0° |
| C23 | C24 | C25 | N32 | 178.5° | 180.0° |
| C24 | C23 | O28 | H28 | 48.5° | 90.0° |
| O28 | C23 | C24 | C25 | 179.1° | 180.0° |
| O28 | C23 | C24 | H24 | 0.9° | 0.1° |
| C24 | C25 | C26 | N32 | 179.5° | 180.0° |
| C24 | C25 | C26 | C27 | 1.2° | 0.0° |
| C24 | C25 | C26 | H26 | 178.8° | 179.9° |
| C24 | C25 | N32 | O33 | 12.2° | 180.0° |
| C24 | C25 | N32 | O34 | 164.5° | 0.0° |
| H24 | C24 | C25 | C26 | 179.1° | 180.0° |
| H24 | C24 | C25 | N32 | 1.4° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C30 | 178.8° | 180.0° |
| C26 | C25 | N32 | O33 | 167.3° | 0.0° |
| C26 | C25 | N32 | O34 | 16.0° | 180.0° |
| N32 | C25 | C26 | C27 | 178.3° | 179.9° |
| N32 | C25 | C26 | H26 | 1.7° | 0.0° |
| C25 | N32 | O33 | O34 | 176.7° | 180.0° |
| C26 | C27 | C30 | O31 | 12.1° | 180.0° |
| H26 | C26 | C27 | C30 | 1.2° | 0.1° |
