YGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S21 | doub | 1.42Å | 1.44Å | |
| O24 | S21 | doub | 1.42Å | 1.44Å | |
| S21 | O23 | sing | 1.52Å | 1.43Å | |
| S21 | N20 | sing | 1.66Å | 1.75Å | |
| O19 | C18 | doub | 1.22Å | 1.21Å | |
| N20 | C18 | sing | 1.35Å | 1.37Å | |
| O11 | C09 | sing | 1.43Å | 1.39Å | |
| C18 | O17 | sing | 1.35Å | 1.39Å | |
| C01 | C09 | sing | 1.55Å | 1.58Å | |
| C01 | C02 | sing | 1.55Å | 1.58Å | |
| C09 | O10 | sing | 1.43Å | 1.38Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C02 | N03 | sing | 1.46Å | 1.44Å | |
| O17 | C16 | sing | 1.45Å | 1.42Å | |
| C16 | C06 | sing | 1.53Å | 1.55Å | |
| N25 | C04 | sing | 1.37Å | 1.43Å | |
| N03 | C04 | sing | 1.38Å | 1.40Å | |
| N03 | C08 | sing | 1.47Å | 1.39Å | |
| C04 | N05 | doub | 1.32Å | 1.29Å | |
| C08 | C07 | sing | 1.53Å | 1.59Å | |
| C08 | N12 | sing | 1.47Å | 1.50Å | |
| N05 | C06 | sing | 1.47Å | 1.46Å | |
| C06 | C07 | sing | 1.52Å | 1.53Å | |
| C07 | N14 | sing | 1.47Å | 1.49Å | |
| N12 | C13 | sing | 1.37Å | 1.42Å | |
| N14 | C13 | doub | 1.30Å | 1.32Å | |
| C13 | N15 | sing | 1.38Å | 1.38Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| N12 | H10 | sing | 0.97Å | 1.00Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| N15 | H12 | sing | 0.97Å | 1.00Å | |
| N20 | H13 | sing | 0.97Å | 1.00Å | |
| N25 | H14 | sing | 0.97Å | 1.00Å | |
| N25 | H15 | sing | 0.97Å | 1.00Å | |
| O10 | H16 | sing | 0.97Å | 0.95Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S21 | O24 | 111.2° | 123.1° |
| O22 | S21 | O23 | 116.1° | 106.4° |
| O22 | S21 | N20 | 100.4° | 106.4° |
| O24 | S21 | O23 | 117.1° | 106.4° |
| O24 | S21 | N20 | 108.9° | 106.4° |
| O23 | S21 | N20 | 101.1° | 107.2° |
| S21 | O23 | H17 | 109.5° | 113.9° |
| S21 | N20 | C18 | 126.9° | 120.0° |
| S21 | N20 | H13 | 116.5° | 120.0° |
| O19 | C18 | N20 | 125.2° | 120.0° |
| O19 | C18 | O17 | 120.6° | 120.0° |
| N20 | C18 | O17 | 114.3° | 120.0° |
| C18 | N20 | H13 | 116.5° | 120.0° |
| O11 | C09 | C01 | 110.1° | 110.6° |
| O11 | C09 | O10 | 112.9° | 110.5° |
| O11 | C09 | C08 | 109.1° | 110.7° |
| C09 | O11 | H1 | 109.5° | 114.0° |
| C18 | O17 | C16 | 113.1° | 117.0° |
| C09 | C01 | C02 | 103.4° | 101.9° |
| C01 | C09 | O10 | 114.0° | 110.6° |
| C01 | C09 | C08 | 103.9° | 103.5° |
| C09 | C01 | H2 | 111.0° | 110.9° |
| C09 | C01 | H3 | 111.0° | 111.0° |
| C01 | C02 | N03 | 103.3° | 103.9° |
| C02 | C01 | H2 | 110.9° | 110.9° |
| C02 | C01 | H3 | 111.0° | 110.9° |
| C01 | C02 | H4 | 111.0° | 110.6° |
| C01 | C02 | H5 | 111.0° | 110.6° |
| O10 | C09 | C08 | 106.4° | 110.7° |
| C09 | O10 | H16 | 109.5° | 114.0° |
| C09 | C08 | N03 | 105.3° | 107.9° |
| C09 | C08 | C07 | 122.8° | 113.3° |
| C09 | C08 | N12 | 110.3° | 111.9° |
| C02 | N03 | C04 | 128.2° | 129.8° |
| C02 | N03 | C08 | 109.8° | 108.4° |
| N03 | C02 | H4 | 111.0° | 110.6° |
| N03 | C02 | H5 | 111.0° | 110.6° |
| O17 | C16 | C06 | 115.6° | 109.5° |
| O17 | C16 | H8 | 107.9° | 109.4° |
| O17 | C16 | H9 | 107.9° | 109.4° |
| C16 | C06 | N05 | 100.4° | 108.9° |
| C16 | C06 | C07 | 101.6° | 108.9° |
| C16 | C06 | H6 | 111.0° | 108.9° |
| C06 | C16 | H8 | 107.9° | 109.5° |
| C06 | C16 | H9 | 107.9° | 109.5° |
| N25 | C04 | N03 | 113.4° | 123.5° |
| N25 | C04 | N05 | 123.4° | 123.4° |
| C04 | N25 | H14 | 120.0° | 120.1° |
| C04 | N25 | H15 | 120.0° | 120.0° |
| C04 | N03 | C08 | 121.6° | 121.7° |
| N03 | C04 | N05 | 123.1° | 113.1° |
| N03 | C08 | C07 | 120.0° | 109.1° |
| N03 | C08 | N12 | 96.2° | 110.7° |
| C04 | N05 | C06 | 121.4° | 117.9° |
| C07 | C08 | N12 | 98.2° | 103.9° |
| C08 | C07 | C06 | 109.5° | 110.6° |
| C08 | C07 | N14 | 108.7° | 103.9° |
| C08 | C07 | H7 | 109.6° | 110.9° |
| C08 | N12 | C13 | 112.0° | 108.0° |
| C08 | N12 | H10 | 124.0° | 125.9° |
| N05 | C06 | C07 | 118.8° | 112.2° |
| N05 | C06 | H6 | 112.4° | 109.0° |
| C06 | C07 | N14 | 107.7° | 110.6° |
| C07 | C06 | H6 | 111.3° | 108.9° |
| C06 | C07 | H7 | 110.4° | 110.3° |
| C07 | N14 | C13 | 107.6° | 109.9° |
| N14 | C07 | H7 | 110.9° | 110.3° |
| N12 | C13 | N14 | 113.2° | 114.2° |
| N12 | C13 | N15 | 123.4° | 122.9° |
| C13 | N12 | H10 | 124.0° | 126.1° |
| N14 | C13 | N15 | 123.4° | 122.9° |
| C13 | N15 | H11 | 120.0° | 120.0° |
| C13 | N15 | H12 | 120.0° | 120.0° |
| H2 | C01 | H3 | 109.5° | 110.9° |
| H4 | C02 | H5 | 109.5° | 110.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H11 | N15 | H12 | 120.0° | 120.0° |
| H14 | N25 | H15 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S21 | O24 | O23 | 136.6° | 122.9° |
| O22 | S21 | O24 | N20 | 109.7° | 123.0° |
| O22 | S21 | O23 | N20 | 107.5° | 113.5° |
| O22 | S21 | N20 | C18 | 70.3° | 48.5° |
| O22 | S21 | N20 | H13 | 109.7° | 131.5° |
| O22 | S21 | O23 | H17 | 0.0° | 66.4° |
| O24 | S21 | O23 | N20 | 118.0° | 113.6° |
| O24 | S21 | N20 | C18 | 46.5° | 178.5° |
| O24 | S21 | N20 | H13 | 133.5° | 1.4° |
| O24 | S21 | O23 | H17 | 134.5° | 66.5° |
| O23 | S21 | N20 | C18 | 170.3° | 65.0° |
| O23 | S21 | N20 | H13 | 9.7° | 115.0° |
| S21 | N20 | C18 | O19 | 14.2° | 0.0° |
| S21 | N20 | C18 | H13 | 180.0° | 180.0° |
| S21 | N20 | C18 | O17 | 165.0° | 180.0° |
| N20 | S21 | O23 | H17 | 107.5° | 180.0° |
| O19 | C18 | N20 | O17 | 179.2° | 179.9° |
| O19 | C18 | O17 | C16 | 3.4° | 0.1° |
| O19 | C18 | N20 | H13 | 165.8° | 180.0° |
| N20 | C18 | O17 | C16 | 177.4° | 180.0° |
| O11 | C09 | C01 | O10 | 127.9° | 122.8° |
| O11 | C09 | C01 | C08 | 116.7° | 118.6° |
| O11 | C09 | C01 | C02 | 111.4° | 150.3° |
| O11 | C09 | O10 | C08 | 119.6° | 123.0° |
| O11 | C09 | C08 | N03 | 91.1° | 133.4° |
| O11 | C09 | C08 | C07 | 51.4° | 12.5° |
| O11 | C09 | C08 | N12 | 166.2° | 104.6° |
| O11 | C09 | C01 | H2 | 129.6° | 32.1° |
| O11 | C09 | C01 | H3 | 7.6° | 91.5° |
| O11 | C09 | O10 | H16 | 180.0° | 59.3° |
| C18 | O17 | C16 | C06 | 152.6° | 180.0° |
| C18 | O17 | C16 | H8 | 31.7° | 60.0° |
| C18 | O17 | C16 | H9 | 86.5° | 60.0° |
| O17 | C18 | N20 | H13 | 15.0° | 0.1° |
| C09 | C01 | C02 | H2 | 119.0° | 118.1° |
| C09 | C01 | C02 | H3 | 119.0° | 118.2° |
| C01 | C09 | O10 | C08 | 113.9° | 114.2° |
| C09 | C01 | C02 | N03 | 16.4° | 37.9° |
| C01 | C09 | C08 | N03 | 26.3° | 14.9° |
| C01 | C09 | C08 | C07 | 168.8° | 106.1° |
| C01 | C09 | C08 | N12 | 76.4° | 136.9° |
| C01 | C09 | O11 | H1 | 180.0° | 61.4° |
| C09 | C01 | H2 | H3 | 122.8° | 123.7° |
| C09 | C01 | C02 | H4 | 102.6° | 80.7° |
| C09 | C01 | C02 | H5 | 135.4° | 156.5° |
| C01 | C09 | O10 | H16 | 53.5° | 63.5° |
| C02 | C01 | C09 | O10 | 120.6° | 87.0° |
| C02 | C01 | C09 | C08 | 5.3° | 31.7° |
| C01 | C02 | N03 | H4 | 119.0° | 118.6° |
| C01 | C02 | N03 | H5 | 119.0° | 118.6° |
| C01 | C02 | N03 | C04 | 151.6° | 147.4° |
| C01 | C02 | N03 | C08 | 35.6° | 29.8° |
| C02 | C01 | H2 | H3 | 122.8° | 123.7° |
| C01 | C02 | H4 | H5 | 122.9° | 122.8° |
| O10 | C09 | C08 | N03 | 146.9° | 103.7° |
| O10 | C09 | C08 | C07 | 70.6° | 135.4° |
| O10 | C09 | C08 | N12 | 44.2° | 18.3° |
| O10 | C09 | O11 | H1 | 51.4° | 61.4° |
| O10 | C09 | C01 | H2 | 1.6° | 154.9° |
| O10 | C09 | C01 | H3 | 120.3° | 31.2° |
| C09 | C08 | N03 | C02 | 40.0° | 9.4° |
| C09 | C08 | N03 | C04 | 146.6° | 168.1° |
| C09 | C08 | N03 | C07 | 143.8° | 123.5° |
| C09 | C08 | N03 | N12 | 113.0° | 122.8° |
| C09 | C08 | C07 | N12 | 120.7° | 121.7° |
| C09 | C08 | C07 | C06 | 125.3° | 115.9° |
| C09 | C08 | C07 | N14 | 117.3° | 125.5° |
| C09 | C08 | N12 | C13 | 129.5° | 126.1° |
| C08 | C09 | O11 | H1 | 66.6° | 175.6° |
| C08 | C09 | C01 | H2 | 113.7° | 86.5° |
| C08 | C09 | C01 | H3 | 124.3° | 149.9° |
| C09 | C08 | C07 | H7 | 4.1° | 6.9° |
| C09 | C08 | N12 | H10 | 50.5° | 53.9° |
| C08 | C09 | O10 | H16 | 60.4° | 177.7° |
| C02 | N03 | C04 | N25 | 0.6° | 49.6° |
| C02 | N03 | C04 | C08 | 172.0° | 176.9° |
| C02 | N03 | C04 | N05 | 177.1° | 130.4° |
| C02 | N03 | C08 | C07 | 176.2° | 132.9° |
| C02 | N03 | C08 | N12 | 73.0° | 113.4° |
| N03 | C02 | C01 | H2 | 135.4° | 80.2° |
| N03 | C02 | C01 | H3 | 102.7° | 156.1° |
| N03 | C02 | H4 | H5 | 122.8° | 122.8° |
| O17 | C16 | C06 | H8 | 120.9° | 120.0° |
| O17 | C16 | C06 | H9 | 120.9° | 120.0° |
| O17 | C16 | C06 | N05 | 169.3° | 62.4° |
| O17 | C16 | C06 | C07 | 46.8° | 175.0° |
| O17 | C16 | C06 | H6 | 71.6° | 56.3° |
| O17 | C16 | H8 | H9 | 117.2° | 119.9° |
| C16 | C06 | N05 | C04 | 82.8° | 70.5° |
| C16 | C06 | C07 | C08 | 83.2° | 73.8° |
| C16 | C06 | N05 | C07 | 109.5° | 120.6° |
| C16 | C06 | N05 | H6 | 118.0° | 118.7° |
| C16 | C06 | C07 | H6 | 118.2° | 118.7° |
| C16 | C06 | C07 | N14 | 158.7° | 171.7° |
| C16 | C06 | C07 | H7 | 37.5° | 49.3° |
| C06 | C16 | H8 | H9 | 117.2° | 120.1° |
| N25 | C04 | N03 | N05 | 177.7° | 180.0° |
| N25 | C04 | N03 | C08 | 172.7° | 133.5° |
| N25 | C04 | N05 | C06 | 172.5° | 175.6° |
| C04 | N25 | H14 | H15 | 180.0° | 180.0° |
| C04 | N03 | C08 | C07 | 2.8° | 44.6° |
| C04 | N03 | C08 | N12 | 100.3° | 69.2° |
| N03 | C04 | N05 | C06 | 10.1° | 4.4° |
| C04 | N03 | C02 | H4 | 89.4° | 94.0° |
| C04 | N03 | C02 | H5 | 32.6° | 28.8° |
| N03 | C04 | N25 | H14 | 177.7° | 180.0° |
| N03 | C04 | N25 | H15 | 2.3° | 0.1° |
| C08 | N03 | C04 | N05 | 5.0° | 46.5° |
| N03 | C08 | C07 | N12 | 102.0° | 118.1° |
| N03 | C08 | C07 | C06 | 12.0° | 4.4° |
| N03 | C08 | C07 | N14 | 105.4° | 114.3° |
| N03 | C08 | N12 | C13 | 121.7° | 113.5° |
| C08 | N03 | C02 | H4 | 83.4° | 88.8° |
| C08 | N03 | C02 | H5 | 154.6° | 148.4° |
| N03 | C08 | C07 | H7 | 133.2° | 127.1° |
| N03 | C08 | N12 | H10 | 58.3° | 66.6° |
| C04 | N05 | C06 | C07 | 26.8° | 50.1° |
| C04 | N05 | C06 | H6 | 159.2° | 170.8° |
| N05 | C04 | N25 | H14 | 0.0° | 0.0° |
| N05 | C04 | N25 | H15 | 180.0° | 180.0° |
| C08 | C07 | C06 | N05 | 25.7° | 46.8° |
| C08 | C07 | C06 | N14 | 118.1° | 114.5° |
| C08 | C07 | C06 | H7 | 120.7° | 123.1° |
| C08 | C07 | N14 | H7 | 120.5° | 119.0° |
| C07 | C08 | N12 | C13 | 0.1° | 3.5° |
| C08 | C07 | N14 | C13 | 5.9° | 2.9° |
| C08 | C07 | C06 | H6 | 158.6° | 167.5° |
| C07 | C08 | N12 | H10 | 179.9° | 176.4° |
| N12 | C08 | C07 | C06 | 114.0° | 122.5° |
| N12 | C08 | C07 | N14 | 3.4° | 3.8° |
| C08 | N12 | C13 | H10 | 180.0° | 180.0° |
| C08 | N12 | C13 | N14 | 3.8° | 1.9° |
| C08 | N12 | C13 | N15 | 178.9° | 178.0° |
| N12 | C08 | C07 | H7 | 124.8° | 114.8° |
| N05 | C06 | C07 | H6 | 132.9° | 120.7° |
| N05 | C06 | C07 | N14 | 92.4° | 67.7° |
| N05 | C06 | C07 | H7 | 146.4° | 169.9° |
| N05 | C06 | C16 | H8 | 48.4° | 57.6° |
| N05 | C06 | C16 | H9 | 69.8° | 177.6° |
| C06 | C07 | N14 | H7 | 120.9° | 122.3° |
| C06 | C07 | N14 | C13 | 112.8° | 121.6° |
| C07 | C06 | C16 | H8 | 74.1° | 65.0° |
| C07 | C06 | C16 | H9 | 167.7° | 55.0° |
| C07 | N14 | C13 | N12 | 5.9° | 0.7° |
| C07 | N14 | C13 | N15 | 176.7° | 179.4° |
| N14 | C07 | C06 | H6 | 40.5° | 53.0° |
| N12 | C13 | N14 | N15 | 177.4° | 179.9° |
| N12 | C13 | N15 | H11 | 177.1° | 0.1° |
| N12 | C13 | N15 | H12 | 2.9° | 180.0° |
| C13 | N14 | C07 | H7 | 126.4° | 116.1° |
| N14 | C13 | N12 | H10 | 176.3° | 178.0° |
| N14 | C13 | N15 | H11 | 0.0° | 180.0° |
| N14 | C13 | N15 | H12 | 180.0° | 0.1° |
| N15 | C13 | N12 | H10 | 1.1° | 2.1° |
| C13 | N15 | H11 | H12 | 180.0° | 179.9° |
| H2 | C01 | C02 | H4 | 16.4° | 161.1° |
| H2 | C01 | C02 | H5 | 105.6° | 38.4° |
| H3 | C01 | C02 | H4 | 138.3° | 37.5° |
| H3 | C01 | C02 | H5 | 16.3° | 85.3° |
| H6 | C06 | C07 | H7 | 80.7° | 69.3° |
| H6 | C06 | C16 | H8 | 167.5° | 176.3° |
| H6 | C06 | C16 | H9 | 49.3° | 63.7° |
