NZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C23 | sing | 1.43Å | 1.44Å | |
| O53 | C53 | sing | 1.44Å | 1.43Å | |
| O53 | C23 | sing | 1.44Å | 1.45Å | |
| C53 | C63 | sing | 1.53Å | 1.53Å | |
| C53 | C43 | sing | 1.55Å | 1.50Å | |
| C63 | O63 | sing | 1.43Å | 1.43Å | |
| C23 | C13 | sing | 1.53Å | 1.53Å | |
| C23 | C33 | sing | 1.54Å | 1.54Å | |
| C13 | O613 | sing | 1.43Å | 1.42Å | |
| C33 | C43 | sing | 1.55Å | 1.51Å | |
| C33 | O33 | sing | 1.43Å | 1.43Å | |
| C43 | O43 | sing | 1.43Å | 1.43Å | |
| O613 | C614 | sing | 1.43Å | 1.43Å | |
| C614 | C513 | sing | 1.53Å | 1.52Å | |
| O413 | C414 | sing | 1.43Å | 1.43Å | |
| C513 | C414 | sing | 1.53Å | 1.53Å | |
| C513 | O513 | sing | 1.43Å | 1.43Å | |
| C414 | C314 | sing | 1.53Å | 1.53Å | |
| O513 | C114 | sing | 1.43Å | 1.43Å | |
| C314 | O313 | sing | 1.43Å | 1.43Å | |
| C314 | C214 | sing | 1.53Å | 1.53Å | |
| C114 | C214 | sing | 1.53Å | 1.52Å | |
| C214 | N211 | sing | 1.47Å | 1.45Å | |
| N211 | C711 | sing | 1.35Å | 1.33Å | |
| C811 | C711 | sing | 1.51Å | 1.50Å | |
| C711 | O711 | doub | 1.21Å | 1.22Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C43 | H4 | sing | 1.09Å | 1.10Å | |
| C53 | H5 | sing | 1.09Å | 1.10Å | |
| C63 | H6 | sing | 1.09Å | 1.10Å | |
| C63 | H7 | sing | 1.09Å | 1.10Å | |
| O23 | H8 | sing | 0.97Å | 0.95Å | |
| O33 | H9 | sing | 0.97Å | 0.95Å | |
| O43 | H10 | sing | 0.97Å | 0.95Å | |
| O63 | H11 | sing | 0.97Å | 0.95Å | |
| C114 | H12 | sing | 1.09Å | 1.10Å | |
| C114 | H13 | sing | 1.09Å | 1.10Å | |
| C214 | H14 | sing | 1.09Å | 1.10Å | |
| C314 | H15 | sing | 1.09Å | 1.10Å | |
| C414 | H16 | sing | 1.09Å | 1.10Å | |
| C513 | H17 | sing | 1.09Å | 1.10Å | |
| C614 | H18 | sing | 1.09Å | 1.10Å | |
| C614 | H19 | sing | 1.09Å | 1.10Å | |
| C811 | H20 | sing | 1.09Å | 1.10Å | |
| C811 | H21 | sing | 1.09Å | 1.10Å | |
| C811 | H22 | sing | 1.09Å | 1.10Å | |
| N211 | H23 | sing | 0.97Å | 1.00Å | |
| O313 | H24 | sing | 0.97Å | 0.95Å | |
| O413 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C23 | O53 | 83.6° | 110.0° |
| O23 | C23 | C13 | 121.1° | 109.8° |
| O23 | C23 | C33 | 118.3° | 109.9° |
| C23 | O23 | H8 | 109.5° | 114.0° |
| C53 | O53 | C23 | 118.4° | 106.9° |
| O53 | C53 | C63 | 111.5° | 110.6° |
| O53 | C53 | C43 | 104.3° | 103.5° |
| O53 | C53 | H5 | 110.3° | 110.7° |
| O53 | C23 | C13 | 84.6° | 109.8° |
| O53 | C23 | C33 | 95.3° | 107.3° |
| C63 | C53 | C43 | 112.3° | 110.6° |
| C53 | C63 | O63 | 109.6° | 109.5° |
| C63 | C53 | H5 | 109.0° | 110.6° |
| C53 | C63 | H6 | 109.4° | 109.5° |
| C53 | C63 | H7 | 109.5° | 109.5° |
| C53 | C43 | C33 | 100.4° | 102.1° |
| C53 | C43 | O43 | 111.2° | 110.9° |
| C53 | C43 | H4 | 111.0° | 110.9° |
| C43 | C53 | H5 | 109.3° | 110.7° |
| O63 | C63 | H6 | 109.5° | 109.5° |
| O63 | C63 | H7 | 109.4° | 109.5° |
| C63 | O63 | H11 | 109.5° | 114.0° |
| C13 | C23 | C33 | 120.2° | 109.9° |
| C23 | C13 | O613 | 108.5° | 109.5° |
| C23 | C13 | H1 | 109.7° | 109.5° |
| C23 | C13 | H2 | 109.7° | 109.5° |
| C23 | C33 | C43 | 110.4° | 104.2° |
| C23 | C33 | O33 | 109.9° | 110.5° |
| C23 | C33 | H3 | 108.3° | 110.4° |
| C13 | O613 | C614 | 113.0° | 114.0° |
| O613 | C13 | H1 | 109.7° | 109.5° |
| O613 | C13 | H2 | 109.7° | 109.5° |
| C43 | C33 | O33 | 109.7° | 110.5° |
| C33 | C43 | O43 | 110.6° | 110.9° |
| C43 | C33 | H3 | 108.7° | 110.5° |
| C33 | C43 | H4 | 110.9° | 110.9° |
| O33 | C33 | H3 | 109.7° | 110.5° |
| C33 | O33 | H9 | 109.5° | 113.9° |
| O43 | C43 | H4 | 112.2° | 110.8° |
| C43 | O43 | H10 | 109.5° | 114.0° |
| O613 | C614 | C513 | 108.2° | 109.5° |
| O613 | C614 | H18 | 109.8° | 109.4° |
| O613 | C614 | H19 | 109.8° | 109.5° |
| C614 | C513 | C414 | 111.1° | 109.5° |
| C614 | C513 | O513 | 109.1° | 109.5° |
| C614 | C513 | H17 | 108.6° | 109.5° |
| C513 | C614 | H18 | 109.8° | 109.5° |
| C513 | C614 | H19 | 109.8° | 109.5° |
| O413 | C414 | C513 | 109.8° | 109.5° |
| O413 | C414 | C314 | 110.5° | 109.5° |
| O413 | C414 | H16 | 109.4° | 109.5° |
| C414 | O413 | H25 | 109.5° | 114.0° |
| C414 | C513 | O513 | 109.6° | 109.4° |
| C513 | C414 | C314 | 110.9° | 109.2° |
| C513 | C414 | H16 | 108.1° | 109.5° |
| C414 | C513 | H17 | 108.5° | 109.5° |
| C513 | O513 | C114 | 112.1° | 114.1° |
| O513 | C513 | H17 | 109.9° | 109.4° |
| C414 | C314 | O313 | 109.7° | 109.6° |
| C414 | C314 | C214 | 111.5° | 109.0° |
| C414 | C314 | H15 | 108.5° | 109.6° |
| C314 | C414 | H16 | 108.1° | 109.5° |
| O513 | C114 | C214 | 109.7° | 109.4° |
| O513 | C114 | H12 | 109.4° | 109.5° |
| O513 | C114 | H13 | 109.4° | 109.5° |
| O313 | C314 | C214 | 109.0° | 109.5° |
| O313 | C314 | H15 | 109.7° | 109.6° |
| C314 | O313 | H24 | 109.5° | 114.0° |
| C314 | C214 | C114 | 111.4° | 109.2° |
| C314 | C214 | N211 | 109.7° | 109.5° |
| C314 | C214 | H14 | 108.5° | 109.6° |
| C214 | C314 | H15 | 108.5° | 109.5° |
| C114 | C214 | N211 | 109.2° | 109.5° |
| C214 | C114 | H12 | 109.4° | 109.5° |
| C214 | C114 | H13 | 109.4° | 109.5° |
| C114 | C214 | H14 | 108.5° | 109.5° |
| C214 | N211 | C711 | 123.0° | 120.0° |
| N211 | C214 | H14 | 109.5° | 109.5° |
| C214 | N211 | H23 | 118.5° | 120.0° |
| N211 | C711 | C811 | 116.6° | 120.0° |
| N211 | C711 | O711 | 121.6° | 120.0° |
| C711 | N211 | H23 | 118.5° | 120.0° |
| C811 | C711 | O711 | 121.8° | 120.0° |
| C711 | C811 | H20 | 109.5° | 109.4° |
| C711 | C811 | H21 | 109.5° | 109.5° |
| C711 | C811 | H22 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H6 | C63 | H7 | 109.5° | 109.4° |
| H12 | C114 | H13 | 109.5° | 109.4° |
| H18 | C614 | H19 | 109.5° | 109.5° |
| H20 | C811 | H21 | 109.5° | 109.4° |
| H20 | C811 | H22 | 109.4° | 109.5° |
| H21 | C811 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C23 | O53 | C53 | 131.9° | 93.0° |
| O23 | C23 | O53 | C13 | 122.2° | 121.0° |
| O23 | C23 | O53 | C33 | 117.9° | 119.6° |
| O23 | C23 | C13 | C33 | 172.1° | 121.0° |
| O23 | C23 | C13 | O613 | 121.4° | 59.0° |
| O23 | C23 | C33 | C43 | 115.2° | 117.6° |
| O23 | C23 | C33 | O33 | 123.7° | 123.7° |
| O23 | C23 | C13 | H1 | 1.6° | 179.1° |
| O23 | C23 | C13 | H2 | 118.7° | 61.0° |
| O23 | C23 | C33 | H3 | 3.8° | 1.1° |
| O53 | C53 | C63 | C43 | 116.7° | 114.0° |
| O53 | C53 | C63 | H5 | 122.0° | 123.0° |
| O53 | C53 | C43 | H5 | 117.9° | 118.6° |
| O53 | C53 | C63 | O63 | 177.8° | 70.9° |
| C53 | O53 | C23 | C13 | 105.9° | 146.0° |
| C53 | O53 | C23 | C33 | 14.0° | 26.6° |
| O53 | C53 | C43 | C33 | 23.5° | 37.0° |
| O53 | C53 | C43 | O43 | 140.5° | 155.2° |
| O53 | C53 | C43 | H4 | 93.8° | 81.2° |
| O53 | C53 | C63 | H6 | 62.2° | 169.1° |
| O53 | C53 | C63 | H7 | 57.8° | 49.1° |
| C23 | O53 | C53 | C63 | 127.6° | 158.6° |
| C23 | O53 | C53 | C43 | 6.1° | 40.1° |
| O53 | C23 | C13 | C33 | 92.9° | 117.8° |
| O53 | C23 | C13 | O613 | 159.5° | 62.2° |
| O53 | C23 | C33 | C43 | 29.6° | 2.1° |
| O53 | C23 | C33 | O33 | 150.8° | 116.6° |
| O53 | C23 | C13 | H1 | 80.7° | 57.9° |
| O53 | C23 | C13 | H2 | 39.6° | 177.8° |
| O53 | C23 | C33 | H3 | 89.3° | 120.8° |
| C23 | O53 | C53 | H5 | 111.1° | 78.5° |
| O53 | C23 | O23 | H8 | 180.0° | 61.7° |
| C63 | C53 | C43 | H5 | 121.1° | 122.9° |
| C53 | C63 | O63 | H6 | 120.0° | 120.0° |
| C53 | C63 | O63 | H7 | 120.0° | 120.0° |
| C63 | C53 | C43 | C33 | 144.5° | 155.5° |
| C63 | C53 | C43 | O43 | 98.5° | 86.3° |
| C63 | C53 | C43 | H4 | 27.1° | 37.3° |
| C53 | C63 | H6 | H7 | 120.0° | 120.0° |
| C53 | C63 | O63 | H11 | 180.0° | 180.0° |
| C43 | C53 | C63 | O63 | 65.5° | 175.0° |
| C53 | C43 | C33 | C23 | 34.7° | 20.9° |
| C53 | C43 | C33 | O43 | 117.5° | 118.2° |
| C53 | C43 | C33 | H4 | 117.4° | 118.2° |
| C53 | C43 | C33 | O33 | 156.0° | 139.6° |
| C53 | C43 | O43 | H4 | 125.0° | 123.7° |
| C53 | C43 | C33 | H3 | 84.0° | 97.8° |
| C43 | C53 | C63 | H6 | 54.5° | 55.0° |
| C43 | C53 | C63 | H7 | 174.4° | 65.0° |
| C53 | C43 | O43 | H10 | 180.0° | 67.3° |
| O63 | C63 | C53 | H5 | 55.8° | 52.1° |
| O63 | C63 | H6 | H7 | 120.0° | 120.0° |
| C23 | C13 | O613 | H1 | 119.8° | 120.0° |
| C23 | C13 | O613 | H2 | 119.8° | 120.0° |
| C13 | C23 | C33 | C43 | 57.1° | 121.5° |
| C13 | C23 | C33 | O33 | 64.0° | 2.8° |
| C23 | C13 | O613 | C614 | 171.7° | 180.0° |
| C23 | C13 | H1 | H2 | 120.4° | 120.0° |
| C13 | C23 | C33 | H3 | 176.1° | 119.9° |
| C13 | C23 | O23 | H8 | 100.3° | 59.3° |
| C33 | C23 | C13 | O613 | 66.5° | 180.0° |
| C23 | C33 | C43 | O33 | 121.3° | 118.7° |
| C23 | C33 | C43 | H3 | 118.7° | 118.6° |
| C23 | C33 | O33 | H3 | 119.0° | 122.6° |
| C23 | C33 | C43 | O43 | 152.2° | 139.0° |
| C33 | C23 | C13 | H1 | 173.6° | 59.9° |
| C33 | C23 | C13 | H2 | 53.3° | 60.0° |
| C23 | C33 | C43 | H4 | 82.7° | 97.4° |
| C33 | C23 | O23 | H8 | 87.4° | 179.7° |
| C23 | C33 | O33 | H9 | 180.0° | 180.0° |
| C13 | O613 | C614 | C513 | 157.9° | 180.0° |
| O613 | C13 | H1 | H2 | 120.5° | 120.0° |
| C13 | O613 | C614 | H18 | 82.3° | 60.0° |
| C13 | O613 | C614 | H19 | 38.1° | 60.0° |
| C43 | C33 | O33 | H3 | 119.4° | 122.6° |
| C33 | C43 | O43 | H4 | 124.4° | 123.6° |
| C33 | C43 | C53 | H5 | 94.4° | 81.6° |
| C43 | C33 | O33 | H9 | 58.4° | 65.2° |
| C33 | C43 | O43 | H10 | 69.4° | 180.0° |
| O33 | C33 | C43 | O43 | 86.5° | 102.2° |
| O33 | C33 | C43 | H4 | 38.6° | 21.4° |
| O43 | C43 | C33 | H3 | 33.5° | 20.4° |
| O43 | C43 | C53 | H5 | 22.6° | 36.6° |
| O613 | C614 | C513 | H18 | 119.8° | 119.9° |
| O613 | C614 | C513 | H19 | 119.8° | 120.0° |
| O613 | C614 | C513 | C414 | 32.6° | 175.0° |
| O613 | C614 | C513 | O513 | 88.4° | 65.1° |
| C614 | O613 | C13 | H1 | 51.9° | 59.9° |
| C614 | O613 | C13 | H2 | 68.4° | 60.0° |
| O613 | C614 | C513 | H17 | 151.8° | 54.9° |
| O613 | C614 | H18 | H19 | 120.6° | 120.0° |
| C614 | C513 | C414 | O413 | 61.2° | 62.5° |
| C614 | C513 | C414 | O513 | 120.7° | 120.0° |
| C614 | C513 | C414 | H17 | 119.3° | 120.1° |
| C614 | C513 | O513 | H17 | 118.9° | 120.0° |
| C614 | C513 | C414 | C314 | 176.3° | 177.6° |
| C614 | C513 | O513 | C114 | 173.4° | 178.9° |
| C614 | C513 | C414 | H16 | 58.0° | 57.7° |
| C513 | C614 | H18 | H19 | 120.6° | 120.1° |
| O413 | C414 | C513 | C314 | 122.4° | 119.9° |
| O413 | C414 | C513 | H16 | 119.2° | 120.1° |
| O413 | C414 | C513 | O513 | 178.1° | 177.5° |
| O413 | C414 | C314 | H16 | 119.6° | 120.1° |
| O413 | C414 | C314 | O313 | 68.8° | 63.2° |
| O413 | C414 | C314 | C214 | 170.4° | 176.9° |
| O413 | C414 | C314 | H15 | 51.0° | 57.1° |
| O413 | C414 | C513 | H17 | 58.1° | 57.6° |
| C414 | C513 | O513 | H17 | 119.1° | 120.0° |
| C513 | C414 | C314 | H16 | 118.3° | 120.0° |
| C414 | C513 | O513 | C114 | 64.7° | 61.1° |
| C513 | C414 | C314 | O313 | 169.2° | 176.9° |
| C513 | C414 | C314 | C214 | 48.3° | 57.0° |
| C513 | C414 | C314 | H15 | 71.0° | 62.9° |
| C414 | C513 | C614 | H18 | 87.2° | 55.1° |
| C414 | C513 | C614 | H19 | 152.4° | 65.0° |
| C513 | C414 | O413 | H25 | 180.0° | 60.3° |
| O513 | C513 | C414 | C314 | 55.6° | 57.6° |
| C513 | O513 | C114 | C214 | 64.0° | 61.1° |
| C513 | O513 | C114 | H12 | 56.0° | 178.9° |
| C513 | O513 | C114 | H13 | 175.9° | 58.9° |
| O513 | C513 | C414 | H16 | 62.7° | 62.3° |
| O513 | C513 | C614 | H18 | 151.8° | 175.0° |
| O513 | C513 | C614 | H19 | 31.4° | 54.9° |
| C414 | C314 | O313 | C214 | 122.3° | 119.5° |
| C414 | C314 | O313 | H15 | 119.0° | 120.3° |
| C414 | C314 | C214 | H15 | 119.4° | 119.9° |
| C414 | C314 | C214 | C114 | 48.0° | 56.9° |
| C414 | C314 | C214 | N211 | 169.0° | 176.9° |
| C414 | C314 | C214 | H14 | 71.4° | 62.9° |
| C314 | C414 | C513 | H17 | 64.4° | 62.3° |
| C414 | C314 | O313 | H24 | 180.0° | 60.5° |
| C314 | C414 | O413 | H25 | 57.3° | 180.0° |
| O513 | C114 | C214 | C314 | 54.6° | 57.6° |
| O513 | C114 | C214 | H12 | 120.0° | 120.1° |
| O513 | C114 | C214 | H13 | 120.0° | 120.0° |
| O513 | C114 | C214 | N211 | 175.9° | 177.5° |
| O513 | C114 | H12 | H13 | 119.9° | 120.1° |
| O513 | C114 | C214 | H14 | 64.8° | 62.4° |
| C114 | O513 | C513 | H17 | 54.4° | 58.8° |
| O313 | C314 | C214 | H15 | 119.4° | 120.2° |
| O313 | C314 | C214 | C114 | 169.2° | 176.8° |
| O313 | C314 | C214 | N211 | 69.7° | 63.2° |
| O313 | C314 | C214 | H14 | 49.8° | 57.0° |
| O313 | C314 | C414 | H16 | 50.9° | 56.9° |
| C314 | C214 | C114 | N211 | 121.4° | 119.9° |
| C314 | C214 | C114 | H14 | 119.4° | 119.9° |
| C314 | C214 | N211 | H14 | 118.9° | 120.2° |
| C314 | C214 | N211 | C711 | 122.9° | 155.3° |
| C314 | C214 | C114 | H12 | 65.4° | 177.6° |
| C314 | C214 | C114 | H13 | 174.6° | 62.5° |
| C214 | C314 | C414 | H16 | 70.0° | 63.0° |
| C314 | C214 | N211 | H23 | 57.1° | 24.7° |
| C214 | C314 | O313 | H24 | 57.7° | 180.0° |
| C114 | C214 | N211 | H14 | 118.7° | 120.1° |
| C114 | C214 | N211 | C711 | 114.7° | 85.0° |
| C214 | C114 | H12 | H13 | 119.9° | 119.9° |
| C114 | C214 | C314 | H15 | 71.4° | 63.0° |
| C114 | C214 | N211 | H23 | 65.3° | 95.0° |
| C214 | N211 | C711 | H23 | 180.0° | 180.0° |
| C214 | N211 | C711 | C811 | 6.6° | 180.0° |
| C214 | N211 | C711 | O711 | 173.2° | 0.0° |
| N211 | C214 | C114 | H12 | 55.9° | 62.4° |
| N211 | C214 | C114 | H13 | 64.0° | 57.5° |
| N211 | C214 | C314 | H15 | 49.7° | 57.0° |
| N211 | C711 | C811 | O711 | 179.8° | 180.0° |
| C711 | N211 | C214 | H14 | 4.0° | 35.1° |
| N211 | C711 | C811 | H20 | 179.8° | 180.0° |
| N211 | C711 | C811 | H21 | 59.8° | 60.0° |
| N211 | C711 | C811 | H22 | 60.2° | 60.0° |
| C711 | C811 | H20 | H21 | 120.0° | 120.0° |
| C711 | C811 | H20 | H22 | 120.0° | 120.0° |
| C711 | C811 | H21 | H22 | 120.0° | 120.0° |
| C811 | C711 | N211 | H23 | 173.4° | 0.0° |
| O711 | C711 | C811 | H20 | 0.0° | 0.0° |
| O711 | C711 | C811 | H21 | 120.0° | 119.9° |
| O711 | C711 | C811 | H22 | 120.0° | 120.0° |
| O711 | C711 | N211 | H23 | 6.8° | 180.0° |
| H3 | C33 | C43 | H4 | 158.6° | 144.0° |
| H3 | C33 | O33 | H9 | 61.0° | 57.4° |
| H4 | C43 | C53 | H5 | 148.3° | 160.2° |
| H4 | C43 | O43 | H10 | 55.0° | 56.4° |
| H5 | C53 | C63 | H6 | 175.8° | 67.9° |
| H5 | C53 | C63 | H7 | 64.3° | 172.1° |
| H6 | C63 | O63 | H11 | 60.0° | 60.0° |
| H7 | C63 | O63 | H11 | 60.0° | 60.0° |
| H12 | C114 | C214 | H14 | 175.2° | 57.7° |
| H13 | C114 | C214 | H14 | 55.3° | 177.6° |
| H14 | C214 | C314 | H15 | 169.2° | 177.2° |
| H14 | C214 | N211 | H23 | 176.0° | 144.9° |
| H15 | C314 | C414 | H16 | 170.7° | 177.2° |
| H15 | C314 | O313 | H24 | 61.0° | 59.8° |
| H16 | C414 | C513 | H17 | 177.3° | 177.8° |
| H16 | C414 | O413 | H25 | 61.5° | 59.9° |
| H17 | C513 | C614 | H18 | 32.0° | 65.0° |
| H17 | C513 | C614 | H19 | 88.4° | 174.9° |
| H20 | C811 | H21 | H22 | 120.0° | 120.0° |
