YH9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C11 | sing | 1.38Å | 1.39Å | |
| N10 | C11 | doub | 1.30Å | 1.30Å | |
| N10 | C09 | sing | 1.47Å | 1.47Å | |
| C11 | N12 | sing | 1.37Å | 1.41Å | |
| C08 | C09 | sing | 1.53Å | 1.61Å | |
| C08 | C14 | sing | 1.53Å | 1.57Å | |
| C08 | N07 | sing | 1.47Å | 1.48Å | |
| N12 | C04 | sing | 1.47Å | 1.49Å | |
| C09 | C04 | sing | 1.53Å | 1.57Å | |
| C14 | O15 | sing | 1.45Å | 1.48Å | |
| N07 | C06 | doub | 1.32Å | 1.25Å | |
| O15 | C16 | sing | 1.35Å | 1.44Å | |
| C04 | N05 | sing | 1.47Å | 1.40Å | |
| C04 | C03 | sing | 1.53Å | 1.64Å | |
| C06 | N05 | sing | 1.38Å | 1.47Å | |
| C06 | N23 | sing | 1.37Å | 1.45Å | |
| N05 | C01 | sing | 1.46Å | 1.43Å | |
| O24 | C03 | sing | 1.43Å | 1.38Å | |
| C16 | N18 | sing | 1.35Å | 1.42Å | |
| C16 | O17 | doub | 1.22Å | 1.24Å | |
| C03 | O25 | sing | 1.43Å | 1.39Å | |
| C03 | C02 | sing | 1.55Å | 1.64Å | |
| N18 | S19 | sing | 1.66Å | 1.85Å | |
| C01 | C02 | sing | 1.55Å | 1.55Å | |
| C02 | O26 | sing | 1.43Å | 1.35Å | |
| O21 | S19 | doub | 1.42Å | 1.43Å | |
| S19 | O20 | doub | 1.42Å | 1.44Å | |
| S19 | O22 | sing | 1.52Å | 1.45Å | |
| O26 | S27 | sing | 1.52Å | 1.70Å | |
| O30 | S27 | doub | 1.42Å | 1.43Å | |
| S27 | O28 | doub | 1.42Å | 1.43Å | |
| S27 | O29 | sing | 1.52Å | 1.42Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| N13 | H9 | sing | 0.97Å | 1.00Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| N18 | H11 | sing | 0.97Å | 1.00Å | |
| N23 | H12 | sing | 0.97Å | 1.00Å | |
| N23 | H13 | sing | 0.97Å | 1.00Å | |
| O24 | H14 | sing | 0.97Å | 0.95Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å | |
| O22 | H16 | sing | 0.97Å | 0.95Å | |
| O29 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C11 | N10 | 121.4° | 122.9° |
| N13 | C11 | N12 | 124.7° | 122.9° |
| C11 | N13 | H9 | 120.0° | 120.0° |
| C11 | N13 | H10 | 120.0° | 120.0° |
| C11 | N10 | C09 | 108.7° | 109.9° |
| N10 | C11 | N12 | 113.9° | 114.2° |
| N10 | C09 | C08 | 102.4° | 110.6° |
| N10 | C09 | C04 | 107.2° | 103.9° |
| N10 | C09 | H5 | 111.7° | 110.9° |
| C11 | N12 | C04 | 109.9° | 108.0° |
| C11 | N12 | H8 | 125.0° | 126.1° |
| C09 | C08 | C14 | 104.1° | 108.9° |
| C09 | C08 | N07 | 120.1° | 112.1° |
| C08 | C09 | C04 | 115.1° | 110.7° |
| C09 | C08 | H4 | 108.0° | 108.9° |
| C08 | C09 | H5 | 109.8° | 110.2° |
| C14 | C08 | N07 | 105.9° | 109.0° |
| C08 | C14 | O15 | 113.1° | 109.4° |
| C14 | C08 | H4 | 108.4° | 109.0° |
| C08 | C14 | H6 | 108.6° | 109.5° |
| C08 | C14 | H7 | 108.6° | 109.5° |
| C08 | N07 | C06 | 119.6° | 118.0° |
| N07 | C08 | H4 | 109.7° | 108.9° |
| N12 | C04 | C09 | 100.1° | 103.9° |
| N12 | C04 | N05 | 109.0° | 110.6° |
| N12 | C04 | C03 | 111.5° | 111.9° |
| C04 | N12 | H8 | 125.1° | 125.9° |
| C09 | C04 | N05 | 113.4° | 109.1° |
| C09 | C04 | C03 | 125.6° | 113.3° |
| C04 | C09 | H5 | 110.3° | 110.4° |
| C14 | O15 | C16 | 121.0° | 117.0° |
| O15 | C14 | H6 | 108.5° | 109.5° |
| O15 | C14 | H7 | 108.5° | 109.4° |
| N07 | C06 | N05 | 124.3° | 113.0° |
| N07 | C06 | N23 | 121.2° | 123.5° |
| O15 | C16 | N18 | 121.7° | 120.0° |
| O15 | C16 | O17 | 118.3° | 120.0° |
| N05 | C04 | C03 | 97.0° | 107.9° |
| C04 | N05 | C06 | 127.0° | 121.8° |
| C04 | N05 | C01 | 117.8° | 108.4° |
| C04 | C03 | O24 | 108.3° | 110.8° |
| C04 | C03 | O25 | 104.4° | 110.6° |
| C04 | C03 | C02 | 106.0° | 103.5° |
| N05 | C06 | N23 | 114.3° | 123.5° |
| C06 | N05 | C01 | 114.5° | 129.7° |
| C06 | N23 | H12 | 120.0° | 120.0° |
| C06 | N23 | H13 | 120.0° | 120.0° |
| N05 | C01 | C02 | 99.6° | 103.9° |
| N05 | C01 | H1 | 111.9° | 110.5° |
| N05 | C01 | H2 | 111.9° | 110.6° |
| O24 | C03 | O25 | 113.4° | 110.6° |
| O24 | C03 | C02 | 111.7° | 110.6° |
| C03 | O24 | H14 | 109.5° | 114.0° |
| N18 | C16 | O17 | 119.9° | 120.0° |
| C16 | N18 | S19 | 127.5° | 120.0° |
| C16 | N18 | H11 | 116.2° | 120.0° |
| O25 | C03 | C02 | 112.4° | 110.6° |
| C03 | O25 | H15 | 109.5° | 114.0° |
| C03 | C02 | C01 | 100.6° | 101.9° |
| C03 | C02 | O26 | 117.6° | 110.9° |
| C03 | C02 | H3 | 106.0° | 110.9° |
| N18 | S19 | O21 | 106.5° | 106.4° |
| N18 | S19 | O20 | 106.0° | 106.4° |
| N18 | S19 | O22 | 104.0° | 107.2° |
| S19 | N18 | H11 | 116.2° | 120.0° |
| C01 | C02 | O26 | 115.2° | 111.0° |
| C02 | C01 | H1 | 111.9° | 110.6° |
| C02 | C01 | H2 | 111.9° | 110.6° |
| C01 | C02 | H3 | 106.9° | 110.9° |
| C02 | O26 | S27 | 125.3° | 114.0° |
| O26 | C02 | H3 | 109.6° | 110.8° |
| O21 | S19 | O20 | 110.3° | 123.1° |
| O21 | S19 | O22 | 116.8° | 106.4° |
| O20 | S19 | O22 | 112.4° | 106.4° |
| S19 | O22 | H16 | 109.5° | 114.0° |
| O26 | S27 | O30 | 98.6° | 106.4° |
| O26 | S27 | O28 | 102.6° | 106.4° |
| O26 | S27 | O29 | 106.6° | 107.2° |
| O30 | S27 | O28 | 115.1° | 123.2° |
| O30 | S27 | O29 | 115.3° | 106.4° |
| O28 | S27 | O29 | 115.6° | 106.4° |
| S27 | O29 | H17 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 110.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H9 | N13 | H10 | 120.0° | 120.0° |
| H12 | N23 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C11 | N10 | N12 | 178.1° | 180.0° |
| N13 | C11 | N10 | C09 | 179.2° | 179.4° |
| N13 | C11 | N12 | C04 | 179.6° | 178.1° |
| N13 | C11 | N12 | H8 | 0.4° | 1.9° |
| C11 | N13 | H9 | H10 | 180.0° | 180.0° |
| C11 | N10 | C09 | C08 | 119.6° | 121.6° |
| N10 | C11 | N12 | C04 | 2.3° | 1.9° |
| C11 | N10 | C09 | C04 | 2.0° | 2.8° |
| C11 | N10 | C09 | H5 | 123.0° | 115.8° |
| N10 | C11 | N12 | H8 | 177.7° | 178.1° |
| N10 | C11 | N13 | H9 | 0.0° | 180.0° |
| N10 | C11 | N13 | H10 | 180.0° | 0.0° |
| C09 | N10 | C11 | N12 | 2.7° | 0.7° |
| N10 | C09 | C08 | C04 | 116.0° | 114.6° |
| N10 | C09 | C08 | H5 | 118.8° | 123.0° |
| N10 | C09 | C08 | C14 | 123.9° | 171.5° |
| N10 | C09 | C08 | N07 | 117.9° | 67.8° |
| N10 | C09 | C04 | N12 | 0.6° | 3.7° |
| N10 | C09 | C04 | H5 | 121.8° | 119.0° |
| N10 | C09 | C04 | N05 | 116.6° | 114.4° |
| N10 | C09 | C04 | C03 | 125.2° | 125.4° |
| N10 | C09 | C08 | H4 | 8.8° | 52.7° |
| C11 | N12 | C04 | H8 | 180.0° | 180.0° |
| C11 | N12 | C04 | C09 | 0.9° | 3.4° |
| C11 | N12 | C04 | N05 | 118.4° | 113.5° |
| C11 | N12 | C04 | C03 | 135.7° | 126.1° |
| N12 | C11 | N13 | H9 | 177.9° | 0.0° |
| N12 | C11 | N13 | H10 | 2.1° | 180.0° |
| C09 | C08 | C14 | N07 | 127.6° | 122.6° |
| C09 | C08 | C14 | H4 | 114.8° | 118.8° |
| C09 | C08 | N07 | H4 | 125.9° | 120.6° |
| C08 | C09 | C04 | N12 | 112.6° | 122.4° |
| C08 | C09 | C04 | H5 | 124.9° | 122.3° |
| C09 | C08 | C14 | O15 | 2.6° | 175.0° |
| C09 | C08 | N07 | C06 | 3.7° | 50.2° |
| C08 | C09 | C04 | N05 | 3.3° | 4.4° |
| C08 | C09 | C04 | C03 | 121.6° | 115.9° |
| C09 | C08 | C14 | H6 | 123.1° | 65.0° |
| C09 | C08 | C14 | H7 | 117.9° | 55.1° |
| C14 | C08 | N07 | H4 | 116.8° | 118.8° |
| C14 | C08 | C09 | C04 | 120.1° | 73.9° |
| C08 | C14 | O15 | H6 | 120.6° | 120.1° |
| C08 | C14 | O15 | H7 | 120.6° | 120.0° |
| C14 | C08 | N07 | C06 | 113.6° | 70.4° |
| C08 | C14 | O15 | C16 | 111.1° | 180.0° |
| C14 | C08 | C09 | H5 | 5.1° | 48.5° |
| C08 | C14 | H6 | H7 | 118.4° | 120.0° |
| N07 | C08 | C09 | C04 | 1.9° | 46.8° |
| N07 | C08 | C14 | O15 | 130.2° | 62.4° |
| C08 | N07 | C06 | N05 | 7.6° | 4.6° |
| C08 | N07 | C06 | N23 | 177.6° | 175.5° |
| N07 | C08 | C09 | H5 | 123.3° | 169.1° |
| N07 | C08 | C14 | H6 | 109.3° | 57.6° |
| N07 | C08 | C14 | H7 | 9.7° | 177.6° |
| N12 | C04 | C09 | N05 | 116.0° | 118.0° |
| N12 | C04 | C09 | C03 | 125.8° | 121.7° |
| N12 | C04 | N05 | C03 | 115.6° | 122.8° |
| N12 | C04 | N05 | C06 | 110.5° | 69.1° |
| N12 | C04 | N05 | C01 | 79.6° | 113.5° |
| N12 | C04 | C03 | O24 | 14.3° | 18.4° |
| N12 | C04 | C03 | O25 | 135.5° | 104.6° |
| N12 | C04 | C03 | C02 | 105.7° | 137.0° |
| N12 | C04 | C09 | H5 | 122.5° | 115.3° |
| C09 | C04 | N05 | C03 | 133.8° | 123.5° |
| C09 | C04 | N05 | C06 | 0.1° | 44.6° |
| C09 | C04 | N05 | C01 | 169.8° | 132.8° |
| C09 | C04 | C03 | O24 | 106.5° | 135.5° |
| C09 | C04 | C03 | O25 | 14.6° | 12.5° |
| C09 | C04 | C03 | C02 | 133.4° | 105.9° |
| C04 | C09 | C08 | H4 | 124.8° | 167.3° |
| C09 | C04 | N12 | H8 | 179.1° | 176.6° |
| C14 | O15 | C16 | N18 | 159.7° | 180.0° |
| C14 | O15 | C16 | O17 | 20.0° | 0.0° |
| O15 | C14 | C08 | H4 | 112.2° | 56.2° |
| O15 | C14 | H6 | H7 | 118.3° | 120.0° |
| N07 | C06 | N05 | C04 | 6.1° | 46.4° |
| N07 | C06 | N05 | N23 | 175.1° | 179.9° |
| N07 | C06 | N05 | C01 | 176.3° | 130.4° |
| C06 | N07 | C08 | H4 | 129.6° | 170.8° |
| N07 | C06 | N23 | H12 | 0.0° | 179.9° |
| N07 | C06 | N23 | H13 | 180.0° | 0.0° |
| O15 | C16 | N18 | O17 | 179.7° | 180.0° |
| O15 | C16 | N18 | S19 | 162.1° | 180.0° |
| C16 | O15 | C14 | H6 | 128.3° | 59.9° |
| C16 | O15 | C14 | H7 | 9.5° | 60.0° |
| O15 | C16 | N18 | H11 | 17.9° | 0.0° |
| C04 | N05 | C06 | C01 | 170.2° | 176.8° |
| C04 | N05 | C06 | N23 | 178.8° | 133.5° |
| N05 | C04 | C03 | O24 | 128.0° | 103.6° |
| N05 | C04 | C03 | O25 | 110.9° | 133.4° |
| N05 | C04 | C03 | C02 | 8.0° | 15.0° |
| C04 | N05 | C01 | C02 | 49.0° | 29.7° |
| C04 | N05 | C01 | H1 | 167.4° | 88.9° |
| C04 | N05 | C01 | H2 | 69.3° | 148.4° |
| N05 | C04 | C09 | H5 | 121.6° | 126.7° |
| N05 | C04 | N12 | H8 | 61.7° | 66.5° |
| C03 | C04 | N05 | C06 | 133.9° | 168.1° |
| C03 | C04 | N05 | C01 | 36.0° | 9.3° |
| C04 | C03 | O24 | O25 | 115.4° | 123.0° |
| C04 | C03 | O24 | C02 | 116.3° | 114.2° |
| C04 | C03 | O25 | C02 | 114.4° | 114.1° |
| C04 | C03 | C02 | C01 | 16.6° | 31.8° |
| C04 | C03 | C02 | O26 | 142.5° | 150.0° |
| C04 | C03 | C02 | H3 | 94.6° | 86.4° |
| C03 | C04 | C09 | H5 | 3.3° | 6.4° |
| C03 | C04 | N12 | H8 | 44.3° | 53.9° |
| C04 | C03 | O24 | H14 | 159.8° | 177.8° |
| C04 | C03 | O25 | H15 | 56.7° | 175.6° |
| C06 | N05 | C01 | C02 | 122.2° | 147.4° |
| C06 | N05 | C01 | H1 | 3.8° | 94.0° |
| C06 | N05 | C01 | H2 | 119.5° | 28.8° |
| N05 | C06 | N23 | H12 | 175.3° | 0.0° |
| N05 | C06 | N23 | H13 | 4.7° | 179.9° |
| N23 | C06 | N05 | C01 | 8.6° | 49.7° |
| C06 | N23 | H12 | H13 | 180.0° | 179.9° |
| N05 | C01 | C02 | C03 | 34.0° | 37.9° |
| N05 | C01 | C02 | H1 | 118.3° | 118.6° |
| N05 | C01 | C02 | H2 | 118.3° | 118.7° |
| N05 | C01 | C02 | O26 | 161.5° | 156.0° |
| N05 | C01 | H1 | H2 | 124.6° | 122.8° |
| N05 | C01 | C02 | H3 | 76.5° | 80.3° |
| O24 | C03 | O25 | C02 | 127.9° | 122.9° |
| O24 | C03 | C02 | C01 | 101.2° | 86.9° |
| O24 | C03 | C02 | O26 | 24.7° | 31.3° |
| O24 | C03 | C02 | H3 | 147.6° | 154.9° |
| O24 | C03 | O25 | H15 | 174.5° | 61.4° |
| C16 | N18 | S19 | H11 | 180.0° | 180.0° |
| C16 | N18 | S19 | O21 | 117.7° | 48.6° |
| C16 | N18 | S19 | O20 | 124.9° | 178.6° |
| C16 | N18 | S19 | O22 | 6.3° | 65.0° |
| O17 | C16 | N18 | S19 | 18.3° | 0.0° |
| O17 | C16 | N18 | H11 | 161.8° | 180.0° |
| O25 | C03 | C02 | C01 | 130.0° | 150.3° |
| O25 | C03 | C02 | O26 | 104.1° | 91.5° |
| O25 | C03 | C02 | H3 | 18.8° | 32.1° |
| O25 | C03 | O24 | H14 | 84.7° | 59.2° |
| C03 | C02 | C01 | O26 | 127.5° | 118.2° |
| C03 | C02 | C01 | H3 | 110.5° | 118.2° |
| C03 | C02 | O26 | H3 | 121.0° | 123.7° |
| C03 | C02 | O26 | S27 | 57.2° | 151.0° |
| C03 | C02 | C01 | H1 | 152.4° | 80.7° |
| C03 | C02 | C01 | H2 | 84.3° | 156.6° |
| C02 | C03 | O24 | H14 | 43.5° | 63.6° |
| C02 | C03 | O25 | H15 | 57.6° | 61.5° |
| N18 | S19 | O21 | O20 | 114.5° | 122.9° |
| N18 | S19 | O21 | O22 | 115.6° | 114.1° |
| N18 | S19 | O20 | O22 | 112.9° | 114.1° |
| N18 | S19 | O22 | H16 | 114.1° | 180.0° |
| C01 | C02 | O26 | H3 | 120.6° | 123.7° |
| C01 | C02 | O26 | S27 | 175.6° | 96.5° |
| C02 | C01 | H1 | H2 | 124.6° | 122.8° |
| C02 | O26 | S27 | O30 | 90.9° | 171.5° |
| C02 | O26 | S27 | O28 | 27.4° | 38.5° |
| C02 | O26 | S27 | O29 | 149.4° | 75.0° |
| O26 | C02 | C01 | H1 | 80.1° | 37.5° |
| O26 | C02 | C01 | H2 | 43.2° | 85.2° |
| O21 | S19 | O20 | O22 | 132.1° | 123.0° |
| O21 | S19 | N18 | H11 | 62.3° | 131.5° |
| O21 | S19 | O22 | H16 | 128.8° | 66.5° |
| O20 | S19 | N18 | H11 | 55.1° | 1.4° |
| O20 | S19 | O22 | H16 | 0.0° | 66.5° |
| O22 | S19 | N18 | H11 | 173.8° | 115.0° |
| O26 | S27 | O30 | O28 | 108.4° | 123.0° |
| O26 | S27 | O30 | O29 | 113.0° | 114.1° |
| O26 | S27 | O28 | O29 | 115.6° | 114.1° |
| S27 | O26 | C02 | H3 | 63.8° | 27.3° |
| O26 | S27 | O29 | H17 | 108.2° | 180.0° |
| O30 | S27 | O28 | O29 | 138.5° | 123.0° |
| O30 | S27 | O29 | H17 | 0.0° | 66.5° |
| O28 | S27 | O29 | H17 | 138.4° | 66.5° |
| H1 | C01 | C02 | H3 | 41.9° | 161.1° |
| H2 | C01 | C02 | H3 | 165.2° | 38.4° |
| H4 | C08 | C09 | H5 | 110.0° | 70.3° |
| H4 | C08 | C14 | H6 | 8.3° | 176.3° |
| H4 | C08 | C14 | H7 | 127.3° | 63.7° |
