80Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O53 | C52 | sing | 1.43Å | 1.46Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | O72 | sing | 1.43Å | 1.48Å | |
| C52 | C85 | sing | 1.53Å | 1.45Å | |
| O72 | C73 | sing | 1.43Å | 1.46Å | |
| O75 | C74 | sing | 1.43Å | 1.41Å | |
| O75 | P76 | sing | 1.61Å | 1.65Å | |
| O82 | P76 | doub | 1.48Å | 1.50Å | |
| C85 | O86 | sing | 1.43Å | 1.46Å | |
| C85 | C83 | sing | 1.53Å | 1.47Å | |
| C73 | C83 | sing | 1.53Å | 1.51Å | |
| C73 | C74 | sing | 1.53Å | 1.51Å | |
| C83 | O84 | sing | 1.43Å | 1.43Å | |
| O81 | P76 | sing | 1.61Å | 1.50Å | |
| P76 | O77 | sing | 1.61Å | 1.64Å | |
| O77 | C78 | sing | 1.43Å | 1.41Å | |
| C78 | C79 | sing | 1.53Å | 1.53Å | |
| C79 | N80 | sing | 1.47Å | 1.46Å | |
| C51 | H63 | sing | 1.09Å | 1.10Å | |
| C52 | H64 | sing | 1.09Å | 1.10Å | |
| C73 | H83 | sing | 1.09Å | 1.10Å | |
| C74 | H84 | sing | 1.09Å | 1.10Å | |
| C74 | H85 | sing | 1.09Å | 1.10Å | |
| C78 | H86 | sing | 1.09Å | 1.10Å | |
| C78 | H87 | sing | 1.09Å | 1.10Å | |
| C79 | H88 | sing | 1.09Å | 1.10Å | |
| C79 | H89 | sing | 1.09Å | 1.10Å | |
| N80 | H90 | sing | 1.01Å | 1.00Å | |
| N80 | H91 | sing | 1.01Å | 1.00Å | |
| O81 | H93 | sing | 0.97Å | 0.95Å | |
| C83 | H94 | sing | 1.09Å | 1.10Å | |
| O84 | H95 | sing | 0.97Å | 0.95Å | |
| C85 | H96 | sing | 1.09Å | 1.10Å | |
| O86 | H97 | sing | 0.97Å | 0.95Å | |
| O53 | H2 | sing | 0.97Å | 0.95Å | |
| C51 | OXT | sing | 1.43Å | 1.38Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O53 | C52 | C51 | 105.1° | 109.5° |
| O53 | C52 | C85 | 106.8° | 109.6° |
| O53 | C52 | H64 | 110.7° | 109.6° |
| C52 | O53 | H2 | 109.5° | 114.0° |
| C52 | C51 | O72 | 112.1° | 109.4° |
| C51 | C52 | C85 | 113.4° | 109.1° |
| C52 | C51 | H63 | 108.0° | 109.4° |
| C51 | C52 | H64 | 109.8° | 109.5° |
| C52 | C51 | OXT | 109.3° | 109.5° |
| C51 | O72 | C73 | 113.1° | 114.1° |
| O72 | C51 | H63 | 108.6° | 109.5° |
| O72 | C51 | OXT | 108.9° | 109.5° |
| C52 | C85 | O86 | 110.2° | 109.5° |
| C52 | C85 | C83 | 109.1° | 109.0° |
| C85 | C52 | H64 | 110.8° | 109.5° |
| C52 | C85 | H96 | 110.3° | 109.6° |
| O72 | C73 | C83 | 110.6° | 109.4° |
| O72 | C73 | C74 | 110.0° | 109.5° |
| O72 | C73 | H83 | 110.2° | 109.5° |
| C74 | O75 | P76 | 117.4° | 123.0° |
| O75 | C74 | C73 | 108.3° | 109.5° |
| O75 | C74 | H84 | 109.7° | 109.4° |
| O75 | C74 | H85 | 109.8° | 109.5° |
| O75 | P76 | O82 | 107.8° | 109.5° |
| O75 | P76 | O81 | 109.2° | 109.5° |
| O75 | P76 | O77 | 111.7° | 109.5° |
| O82 | P76 | O81 | 110.5° | 109.5° |
| O82 | P76 | O77 | 108.9° | 109.5° |
| O86 | C85 | C83 | 107.0° | 109.5° |
| O86 | C85 | H96 | 110.2° | 109.6° |
| C85 | O86 | H97 | 109.5° | 114.0° |
| C85 | C83 | C73 | 108.8° | 109.2° |
| C85 | C83 | O84 | 109.4° | 109.5° |
| C85 | C83 | H94 | 110.0° | 109.6° |
| C83 | C85 | H96 | 110.0° | 109.7° |
| C83 | C73 | C74 | 106.8° | 109.5° |
| C73 | C83 | O84 | 108.5° | 109.5° |
| C83 | C73 | H83 | 109.6° | 109.5° |
| C73 | C83 | H94 | 109.5° | 109.6° |
| C74 | C73 | H83 | 109.5° | 109.5° |
| C73 | C74 | H84 | 109.8° | 109.5° |
| C73 | C74 | H85 | 109.8° | 109.5° |
| O84 | C83 | H94 | 110.5° | 109.5° |
| C83 | O84 | H95 | 109.5° | 114.0° |
| O81 | P76 | O77 | 108.6° | 109.5° |
| P76 | O81 | H93 | 109.5° | 114.0° |
| P76 | O77 | C78 | 116.9° | 123.0° |
| O77 | C78 | C79 | 107.2° | 109.5° |
| O77 | C78 | H86 | 110.0° | 109.5° |
| O77 | C78 | H87 | 110.0° | 109.5° |
| C78 | C79 | N80 | 109.6° | 109.5° |
| C79 | C78 | H86 | 110.0° | 109.5° |
| C79 | C78 | H87 | 110.0° | 109.5° |
| C78 | C79 | H88 | 109.5° | 109.5° |
| C78 | C79 | H89 | 109.4° | 109.5° |
| N80 | C79 | H88 | 109.4° | 109.5° |
| N80 | C79 | H89 | 109.4° | 109.5° |
| C79 | N80 | H90 | 109.5° | 111.0° |
| C79 | N80 | H91 | 109.5° | 111.0° |
| H63 | C51 | OXT | 109.9° | 109.5° |
| H84 | C74 | H85 | 109.5° | 109.5° |
| H86 | C78 | H87 | 109.5° | 109.4° |
| H88 | C79 | H89 | 109.5° | 109.5° |
| H90 | N80 | H91 | 109.5° | 111.0° |
| C51 | OXT | HXT | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O53 | C52 | C51 | C85 | 116.4° | 119.9° |
| O53 | C52 | C51 | H64 | 119.1° | 120.2° |
| O53 | C52 | C51 | O72 | 68.7° | 62.3° |
| O53 | C52 | C85 | H64 | 120.6° | 120.2° |
| O53 | C52 | C85 | O86 | 58.3° | 56.9° |
| O53 | C52 | C85 | C83 | 58.9° | 62.9° |
| O53 | C52 | C51 | H63 | 50.9° | 57.7° |
| O53 | C52 | C85 | H96 | 179.9° | 177.1° |
| O53 | C52 | C51 | OXT | 170.5° | 177.7° |
| C52 | C51 | O72 | H63 | 119.2° | 120.0° |
| C52 | C51 | O72 | OXT | 121.1° | 119.9° |
| C51 | C52 | C85 | H64 | 124.0° | 119.9° |
| C52 | C51 | O72 | C73 | 45.9° | 61.1° |
| C51 | C52 | C85 | O86 | 173.6° | 176.8° |
| C51 | C52 | C85 | C83 | 56.4° | 57.0° |
| C52 | C51 | H63 | OXT | 119.2° | 120.0° |
| C51 | C52 | C85 | H96 | 64.5° | 63.0° |
| C51 | C52 | O53 | H2 | 180.0° | 60.1° |
| C52 | C51 | OXT | HXT | 180.0° | 180.0° |
| O72 | C51 | C52 | C85 | 47.7° | 57.6° |
| C51 | O72 | C73 | C83 | 53.8° | 61.1° |
| C51 | O72 | C73 | C74 | 171.6° | 178.9° |
| O72 | C51 | H63 | OXT | 119.0° | 120.0° |
| O72 | C51 | C52 | H64 | 172.3° | 177.5° |
| C51 | O72 | C73 | H83 | 67.5° | 58.8° |
| O72 | C51 | OXT | HXT | 57.3° | 60.1° |
| C52 | C85 | O86 | C83 | 118.5° | 119.5° |
| C52 | C85 | O86 | H96 | 121.9° | 120.2° |
| C52 | C85 | C83 | H96 | 121.1° | 119.9° |
| C52 | C85 | C83 | C73 | 62.9° | 57.1° |
| C52 | C85 | C83 | O84 | 178.7° | 176.9° |
| C85 | C52 | C51 | H63 | 167.3° | 177.6° |
| C52 | C85 | C83 | H94 | 57.1° | 63.0° |
| C52 | C85 | O86 | H97 | 180.0° | 60.0° |
| C85 | C52 | O53 | H2 | 59.2° | 179.7° |
| C85 | C52 | C51 | OXT | 73.1° | 62.3° |
| O72 | C73 | C74 | O75 | 25.4° | 65.0° |
| O72 | C73 | C83 | C85 | 62.1° | 57.6° |
| O72 | C73 | C83 | C74 | 119.7° | 120.0° |
| O72 | C73 | C83 | H83 | 121.7° | 120.0° |
| O72 | C73 | C74 | H83 | 121.2° | 120.0° |
| O72 | C73 | C83 | O84 | 178.9° | 177.5° |
| C73 | O72 | C51 | H63 | 165.2° | 178.9° |
| O72 | C73 | C74 | H84 | 94.4° | 175.0° |
| O72 | C73 | C74 | H85 | 145.2° | 55.0° |
| O72 | C73 | C83 | H94 | 58.2° | 62.4° |
| C73 | O72 | C51 | OXT | 75.2° | 58.8° |
| C74 | O75 | P76 | O82 | 120.9° | 55.0° |
| O75 | C74 | C73 | C83 | 145.5° | 175.1° |
| O75 | C74 | C73 | H84 | 119.8° | 119.9° |
| O75 | C74 | C73 | H85 | 119.8° | 120.0° |
| C74 | O75 | P76 | O81 | 119.0° | 65.0° |
| C74 | O75 | P76 | O77 | 1.2° | 175.0° |
| O75 | C74 | C73 | H83 | 95.9° | 55.0° |
| O75 | C74 | H84 | H85 | 120.6° | 120.0° |
| O75 | P76 | O82 | O81 | 119.3° | 120.0° |
| O75 | P76 | O82 | O77 | 121.4° | 120.0° |
| P76 | O75 | C74 | C73 | 129.4° | 180.0° |
| O75 | P76 | O81 | O77 | 122.1° | 120.0° |
| O75 | P76 | O77 | C78 | 136.7° | 175.0° |
| P76 | O75 | C74 | H84 | 110.8° | 60.0° |
| P76 | O75 | C74 | H85 | 9.5° | 60.0° |
| O75 | P76 | O81 | H93 | 118.5° | 59.9° |
| O82 | P76 | O81 | O77 | 119.4° | 120.0° |
| O82 | P76 | O77 | C78 | 104.2° | 55.0° |
| O82 | P76 | O81 | H93 | 0.0° | 179.9° |
| O86 | C85 | C83 | H96 | 119.7° | 120.2° |
| O86 | C85 | C83 | C73 | 177.9° | 176.9° |
| O86 | C85 | C83 | O84 | 59.5° | 63.3° |
| O86 | C85 | C52 | H64 | 62.3° | 63.3° |
| O86 | C85 | C83 | H94 | 62.1° | 56.8° |
| C85 | C83 | C73 | O84 | 119.0° | 119.8° |
| C85 | C83 | C73 | H94 | 120.3° | 120.1° |
| C85 | C83 | C73 | C74 | 178.2° | 177.6° |
| C85 | C83 | O84 | H94 | 121.3° | 120.2° |
| C83 | C85 | C52 | H64 | 179.5° | 176.9° |
| C85 | C83 | C73 | H83 | 59.6° | 62.3° |
| C85 | C83 | O84 | H95 | 180.0° | 60.3° |
| C83 | C85 | O86 | H97 | 61.5° | 179.5° |
| C83 | C73 | C74 | H83 | 118.6° | 120.1° |
| C73 | C83 | O84 | H94 | 120.1° | 120.1° |
| C83 | C73 | C74 | H84 | 25.7° | 55.1° |
| C83 | C73 | C74 | H85 | 94.7° | 64.9° |
| C73 | C83 | O84 | H95 | 61.3° | 180.0° |
| C73 | C83 | C85 | H96 | 58.3° | 62.9° |
| C74 | C73 | C83 | O84 | 59.2° | 62.6° |
| C73 | C74 | H84 | H85 | 120.6° | 120.0° |
| C74 | C73 | C83 | H94 | 61.5° | 57.5° |
| O84 | C83 | C73 | H83 | 59.4° | 57.5° |
| O84 | C83 | C85 | H96 | 60.2° | 56.9° |
| O81 | P76 | O77 | C78 | 16.2° | 65.0° |
| P76 | O77 | C78 | C79 | 177.7° | 180.0° |
| P76 | O77 | C78 | H86 | 58.0° | 60.0° |
| P76 | O77 | C78 | H87 | 62.7° | 60.0° |
| O77 | P76 | O81 | H93 | 119.4° | 60.1° |
| O77 | C78 | C79 | H86 | 119.6° | 120.0° |
| O77 | C78 | C79 | H87 | 119.7° | 120.0° |
| O77 | C78 | C79 | N80 | 168.1° | 65.0° |
| O77 | C78 | H86 | H87 | 121.0° | 120.0° |
| O77 | C78 | C79 | H88 | 71.9° | 175.0° |
| O77 | C78 | C79 | H89 | 48.0° | 55.0° |
| C78 | C79 | N80 | H88 | 120.0° | 120.0° |
| C78 | C79 | N80 | H89 | 120.0° | 120.0° |
| C79 | C78 | H86 | H87 | 121.0° | 120.0° |
| C78 | C79 | H88 | H89 | 119.9° | 120.0° |
| C78 | C79 | N80 | H90 | 180.0° | 56.1° |
| C78 | C79 | N80 | H91 | 60.0° | 180.0° |
| N80 | C79 | C78 | H86 | 48.4° | 55.0° |
| N80 | C79 | C78 | H87 | 72.3° | 175.0° |
| N80 | C79 | H88 | H89 | 119.9° | 120.0° |
| C79 | N80 | H90 | H91 | 120.0° | 123.9° |
| H63 | C51 | C52 | H64 | 68.1° | 62.5° |
| H63 | C51 | OXT | HXT | 61.6° | 60.0° |
| H64 | C52 | C85 | H96 | 59.5° | 56.9° |
| H64 | C52 | O53 | H2 | 61.5° | 60.1° |
| H64 | C52 | C51 | OXT | 51.4° | 57.5° |
| H83 | C73 | C74 | H84 | 144.3° | 65.0° |
| H83 | C73 | C74 | H85 | 23.9° | 175.0° |
| H83 | C73 | C83 | H94 | 179.9° | 177.6° |
| H86 | C78 | C79 | H88 | 168.4° | 65.0° |
| H86 | C78 | C79 | H89 | 71.6° | 175.0° |
| H87 | C78 | C79 | H88 | 47.7° | 55.0° |
| H87 | C78 | C79 | H89 | 167.7° | 65.0° |
| H88 | C79 | N80 | H90 | 59.9° | 63.9° |
| H88 | C79 | N80 | H91 | 180.0° | 60.0° |
| H89 | C79 | N80 | H90 | 60.0° | 176.1° |
| H89 | C79 | N80 | H91 | 60.0° | 60.0° |
| H94 | C83 | O84 | H95 | 58.7° | 59.9° |
| H94 | C83 | C85 | H96 | 178.2° | 177.1° |
| H96 | C85 | O86 | H97 | 58.1° | 60.2° |






