5ZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C2A | doub | 1.21Å | 1.22Å | |
| O21 | C2A | sing | 1.34Å | 1.24Å | |
| C2A | C2 | sing | 1.51Å | 1.51Å | |
| N3 | C2 | sing | 1.49Å | 1.45Å | |
| N3 | C4 | sing | 1.47Å | 1.48Å | |
| C2B | C2 | sing | 1.53Å | 1.52Å | |
| C2 | S1 | sing | 1.84Å | 1.85Å | |
| O42 | C4A | doub | 1.21Å | 1.23Å | |
| C4 | C4A | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4A | O41 | sing | 1.34Å | 1.24Å | |
| S1 | C5 | sing | 1.84Å | 1.82Å | |
| C5 | C5B | sing | 1.53Å | 1.57Å | |
| C5 | C5A | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| O41 | H2 | sing | 0.97Å | 0.95Å | |
| N3 | H3 | sing | 1.01Å | 1.00Å | |
| C2B | H5 | sing | 1.09Å | 1.10Å | |
| C2B | H6 | sing | 1.09Å | 1.10Å | |
| C2B | H7 | sing | 1.09Å | 1.10Å | |
| O21 | H8 | sing | 0.97Å | 0.95Å | |
| C5A | H9 | sing | 1.09Å | 1.10Å | |
| C5A | H10 | sing | 1.09Å | 1.10Å | |
| C5A | H11 | sing | 1.09Å | 1.10Å | |
| C5B | H12 | sing | 1.09Å | 1.10Å | |
| C5B | H13 | sing | 1.09Å | 1.10Å | |
| C5B | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C2A | O21 | 124.3° | 120.0° |
| O22 | C2A | C2 | 117.0° | 120.0° |
| O21 | C2A | C2 | 117.4° | 120.0° |
| C2A | O21 | H8 | 109.5° | 117.0° |
| C2A | C2 | N3 | 109.2° | 111.1° |
| C2A | C2 | C2B | 112.7° | 111.0° |
| C2A | C2 | S1 | 111.1° | 111.2° |
| C2 | N3 | C4 | 109.0° | 110.9° |
| N3 | C2 | C2B | 110.4° | 111.1° |
| N3 | C2 | S1 | 105.7° | 100.9° |
| C2 | N3 | H3 | 109.6° | 111.0° |
| N3 | C4 | C4A | 115.7° | 108.8° |
| N3 | C4 | C5 | 108.9° | 112.9° |
| N3 | C4 | H1 | 106.6° | 108.7° |
| C4 | N3 | H3 | 109.5° | 111.0° |
| C2B | C2 | S1 | 107.5° | 111.1° |
| C2 | C2B | H5 | 109.5° | 109.5° |
| C2 | C2B | H6 | 109.4° | 109.5° |
| C2 | C2B | H7 | 109.5° | 109.4° |
| C2 | S1 | C5 | 93.8° | 94.9° |
| O42 | C4A | C4 | 119.7° | 120.0° |
| O42 | C4A | O41 | 124.7° | 119.9° |
| C4A | C4 | C5 | 112.5° | 108.8° |
| C4 | C4A | O41 | 115.6° | 120.0° |
| C4A | C4 | H1 | 106.3° | 108.8° |
| C4 | C5 | S1 | 105.6° | 103.5° |
| C4 | C5 | C5B | 110.7° | 110.6° |
| C4 | C5 | C5A | 112.6° | 110.6° |
| C5 | C4 | H1 | 106.2° | 108.8° |
| C4A | O41 | H2 | 109.5° | 117.0° |
| S1 | C5 | C5B | 109.6° | 110.6° |
| S1 | C5 | C5A | 108.9° | 110.8° |
| C5B | C5 | C5A | 109.4° | 110.5° |
| C5 | C5B | H12 | 109.5° | 109.4° |
| C5 | C5B | H13 | 109.5° | 109.4° |
| C5 | C5B | H14 | 109.5° | 109.5° |
| C5 | C5A | H9 | 109.5° | 109.4° |
| C5 | C5A | H10 | 109.5° | 109.5° |
| C5 | C5A | H11 | 109.5° | 109.5° |
| H5 | C2B | H6 | 109.5° | 109.4° |
| H5 | C2B | H7 | 109.5° | 109.5° |
| H6 | C2B | H7 | 109.5° | 109.5° |
| H9 | C5A | H10 | 109.5° | 109.4° |
| H9 | C5A | H11 | 109.4° | 109.5° |
| H10 | C5A | H11 | 109.5° | 109.5° |
| H12 | C5B | H13 | 109.4° | 109.5° |
| H12 | C5B | H14 | 109.5° | 109.5° |
| H13 | C5B | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C2A | O21 | C2 | 166.6° | 180.0° |
| O22 | C2A | C2 | N3 | 32.8° | 2.0° |
| O22 | C2A | C2 | C2B | 155.9° | 122.2° |
| O22 | C2A | C2 | S1 | 83.4° | 113.6° |
| O22 | C2A | O21 | H8 | 0.0° | 0.1° |
| O21 | C2A | C2 | N3 | 159.5° | 178.0° |
| O21 | C2A | C2 | C2B | 36.4° | 57.8° |
| O21 | C2A | C2 | S1 | 84.2° | 66.5° |
| C2A | C2 | N3 | C2B | 124.4° | 124.1° |
| C2A | C2 | N3 | S1 | 119.6° | 118.0° |
| C2A | C2 | N3 | C4 | 157.4° | 160.4° |
| C2A | C2 | C2B | S1 | 122.7° | 124.3° |
| C2A | C2 | S1 | C5 | 135.6° | 152.5° |
| C2A | C2 | N3 | H3 | 37.5° | 36.5° |
| C2A | C2 | C2B | H5 | 180.0° | 177.2° |
| C2A | C2 | C2B | H6 | 60.0° | 57.2° |
| C2A | C2 | C2B | H7 | 60.0° | 62.8° |
| C2 | C2A | O21 | H8 | 166.6° | 180.0° |
| C2 | N3 | C4 | H3 | 119.9° | 123.8° |
| N3 | C2 | C2B | S1 | 114.8° | 111.5° |
| C2 | N3 | C4 | C4A | 173.0° | 152.7° |
| C2 | N3 | C4 | C5 | 45.2° | 31.8° |
| N3 | C2 | S1 | C5 | 17.2° | 34.6° |
| C2 | N3 | C4 | H1 | 69.0° | 89.0° |
| N3 | C2 | C2B | H5 | 57.6° | 53.0° |
| N3 | C2 | C2B | H6 | 62.4° | 67.0° |
| N3 | C2 | C2B | H7 | 177.6° | 173.0° |
| C4 | N3 | C2 | C2B | 78.2° | 75.5° |
| C4 | N3 | C2 | S1 | 37.7° | 42.4° |
| N3 | C4 | C4A | O42 | 27.3° | 23.3° |
| N3 | C4 | C4A | C5 | 126.0° | 123.4° |
| N3 | C4 | C4A | H1 | 118.1° | 118.3° |
| N3 | C4 | C5 | H1 | 114.5° | 120.7° |
| N3 | C4 | C4A | O41 | 153.1° | 156.7° |
| N3 | C4 | C5 | S1 | 29.7° | 3.8° |
| N3 | C4 | C5 | C5B | 88.9° | 114.6° |
| N3 | C4 | C5 | C5A | 148.4° | 122.5° |
| C2B | C2 | S1 | C5 | 100.7° | 83.3° |
| C2B | C2 | N3 | H3 | 161.9° | 160.7° |
| C2 | C2B | H5 | H6 | 120.0° | 120.0° |
| C2 | C2B | H5 | H7 | 120.0° | 120.0° |
| C2 | C2B | H6 | H7 | 120.0° | 120.0° |
| C2 | S1 | C5 | C4 | 7.0° | 18.4° |
| C2 | S1 | C5 | C5B | 112.2° | 136.8° |
| C2 | S1 | C5 | C5A | 128.2° | 100.3° |
| S1 | C2 | N3 | H3 | 82.2° | 81.4° |
| S1 | C2 | C2B | H5 | 57.2° | 58.5° |
| S1 | C2 | C2B | H6 | 177.3° | 178.5° |
| S1 | C2 | C2B | H7 | 62.8° | 61.5° |
| O42 | C4A | C4 | O41 | 179.7° | 180.0° |
| O42 | C4A | C4 | C5 | 98.7° | 100.0° |
| O42 | C4A | C4 | H1 | 145.4° | 141.6° |
| O42 | C4A | O41 | H2 | 0.0° | 0.0° |
| C4A | C4 | C5 | H1 | 115.9° | 118.4° |
| C4A | C4 | C5 | S1 | 159.3° | 124.8° |
| C4A | C4 | C5 | C5B | 40.7° | 6.3° |
| C4A | C4 | C5 | C5A | 82.0° | 116.5° |
| C4 | C4A | O41 | H2 | 179.7° | 180.0° |
| C4A | C4 | N3 | H3 | 53.1° | 28.9° |
| C5 | C4 | C4A | O41 | 80.9° | 80.0° |
| C4 | C5 | S1 | C5B | 119.3° | 118.5° |
| C4 | C5 | S1 | C5A | 121.1° | 118.6° |
| C4 | C5 | C5B | C5A | 124.6° | 122.9° |
| C5 | C4 | N3 | H3 | 74.8° | 92.0° |
| C4 | C5 | C5A | H9 | 180.0° | 60.0° |
| C4 | C5 | C5A | H10 | 60.0° | 180.0° |
| C4 | C5 | C5A | H11 | 60.0° | 60.0° |
| C4 | C5 | C5B | H12 | 180.0° | 60.0° |
| C4 | C5 | C5B | H13 | 60.0° | 180.0° |
| C4 | C5 | C5B | H14 | 60.0° | 60.0° |
| O41 | C4A | C4 | H1 | 34.9° | 38.4° |
| S1 | C5 | C5B | C5A | 119.3° | 123.0° |
| S1 | C5 | C4 | H1 | 84.8° | 116.9° |
| S1 | C5 | C5A | H9 | 63.2° | 54.2° |
| S1 | C5 | C5A | H10 | 176.8° | 65.8° |
| S1 | C5 | C5A | H11 | 56.8° | 174.2° |
| S1 | C5 | C5B | H12 | 63.9° | 174.1° |
| S1 | C5 | C5B | H13 | 56.1° | 66.0° |
| S1 | C5 | C5B | H14 | 176.1° | 54.1° |
| C5B | C5 | C4 | H1 | 156.6° | 124.7° |
| C5B | C5 | C5A | H9 | 56.5° | 177.1° |
| C5B | C5 | C5A | H10 | 63.5° | 57.1° |
| C5B | C5 | C5A | H11 | 176.5° | 62.9° |
| C5 | C5B | H12 | H13 | 120.0° | 119.9° |
| C5 | C5B | H12 | H14 | 120.0° | 120.0° |
| C5 | C5B | H13 | H14 | 120.0° | 120.0° |
| C5A | C5 | C4 | H1 | 33.9° | 1.8° |
| C5 | C5A | H9 | H10 | 120.0° | 120.0° |
| C5 | C5A | H9 | H11 | 120.0° | 120.0° |
| C5 | C5A | H10 | H11 | 120.0° | 120.1° |
| C5A | C5 | C5B | H12 | 55.4° | 62.9° |
| C5A | C5 | C5B | H13 | 175.4° | 57.1° |
| C5A | C5 | C5B | H14 | 64.6° | 177.1° |
| H1 | C4 | N3 | H3 | 171.0° | 147.2° |
| H5 | C2B | H6 | H7 | 120.0° | 120.0° |
| H9 | C5A | H10 | H11 | 120.0° | 120.0° |
| H12 | C5B | H13 | H14 | 120.0° | 120.1° |
