1Y2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C32 | sing | 1.47Å | 1.46Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C49 | C42 | sing | 1.53Å | 1.53Å | |
| C32 | C42 | sing | 1.53Å | 1.53Å | |
| C32 | C30 | sing | 1.51Å | 1.51Å | |
| C48 | C45 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C30 | O31 | doub | 1.21Å | 1.21Å | |
| F47 | C45 | sing | 1.40Å | 1.39Å | |
| C45 | F46 | sing | 1.40Å | 1.39Å | |
| C45 | C44 | sing | 1.53Å | 1.55Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| N34 | H29 | sing | 1.01Å | 1.00Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C48 | H44 | sing | 1.09Å | 1.10Å | |
| C48 | H45 | sing | 1.09Å | 1.10Å | |
| C49 | H46 | sing | 1.09Å | 1.10Å | |
| C49 | H47 | sing | 1.09Å | 1.10Å | |
| N34 | H2 | sing | 1.01Å | 1.00Å | |
| C30 | OXT | sing | 1.34Å | 31.08Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N34 | C32 | C42 | 101.0° | 109.4° |
| N34 | C32 | C30 | 106.0° | 109.5° |
| N34 | C32 | H28 | 111.8° | 109.5° |
| C32 | N34 | H29 | 109.5° | 111.0° |
| C32 | N34 | H2 | 109.5° | 111.0° |
| C48 | C49 | C42 | 106.1° | 109.4° |
| C49 | C48 | C45 | 108.5° | 109.5° |
| C49 | C48 | H44 | 109.7° | 109.5° |
| C49 | C48 | H45 | 109.7° | 109.4° |
| C48 | C49 | H46 | 110.3° | 109.5° |
| C48 | C49 | H47 | 110.3° | 109.4° |
| C49 | C42 | C32 | 109.6° | 109.4° |
| C49 | C42 | C43 | 109.0° | 109.5° |
| C49 | C42 | H39 | 107.0° | 109.5° |
| C42 | C49 | H46 | 110.3° | 109.5° |
| C42 | C49 | H47 | 110.3° | 109.5° |
| C42 | C32 | C30 | 116.0° | 109.5° |
| C32 | C42 | C43 | 116.9° | 109.5° |
| C42 | C32 | H28 | 110.7° | 109.4° |
| C32 | C42 | H39 | 107.0° | 109.4° |
| C32 | C30 | O31 | 116.5° | 120.0° |
| C30 | C32 | H28 | 110.9° | 109.5° |
| C32 | C30 | OXT | 118.2° | 120.0° |
| C48 | C45 | F47 | 108.1° | 109.5° |
| C48 | C45 | F46 | 107.0° | 109.5° |
| C48 | C45 | C44 | 114.1° | 109.5° |
| C45 | C48 | H44 | 109.8° | 109.5° |
| C45 | C48 | H45 | 109.7° | 109.5° |
| C42 | C43 | C44 | 105.3° | 109.5° |
| C43 | C42 | H39 | 107.0° | 109.5° |
| C42 | C43 | H40 | 110.5° | 109.5° |
| C42 | C43 | H41 | 110.5° | 109.5° |
| O31 | C30 | OXT | 67.3° | 120.0° |
| F47 | C45 | F46 | 108.9° | 109.5° |
| F47 | C45 | C44 | 108.8° | 109.5° |
| F46 | C45 | C44 | 109.8° | 109.5° |
| C45 | C44 | C43 | 112.2° | 109.5° |
| C45 | C44 | H42 | 108.8° | 109.4° |
| C45 | C44 | H43 | 108.8° | 109.4° |
| C44 | C43 | H40 | 110.5° | 109.4° |
| C44 | C43 | H41 | 110.5° | 109.5° |
| C43 | C44 | H42 | 108.8° | 109.5° |
| C43 | C44 | H43 | 108.8° | 109.5° |
| H29 | N34 | H2 | 109.5° | 111.0° |
| H40 | C43 | H41 | 109.5° | 109.5° |
| H42 | C44 | H43 | 109.5° | 109.5° |
| H44 | C48 | H45 | 109.5° | 109.5° |
| H46 | C49 | H47 | 109.5° | 109.5° |
| C30 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C32 | C42 | C49 | 82.9° | 60.0° |
| N34 | C32 | C42 | C30 | 114.0° | 120.0° |
| N34 | C32 | C42 | H28 | 118.5° | 119.9° |
| N34 | C32 | C30 | H28 | 121.5° | 120.0° |
| N34 | C32 | C42 | C43 | 152.5° | 60.0° |
| N34 | C32 | C30 | O31 | 33.2° | 20.0° |
| C32 | N34 | H29 | H2 | 120.0° | 124.0° |
| N34 | C32 | C42 | H39 | 32.7° | 180.0° |
| N34 | C32 | C30 | OXT | 110.4° | 160.2° |
| C48 | C49 | C42 | H46 | 119.5° | 120.0° |
| C48 | C49 | C42 | H47 | 119.5° | 120.0° |
| C48 | C49 | C42 | C32 | 158.4° | 180.0° |
| C49 | C48 | C45 | H44 | 119.8° | 120.0° |
| C49 | C48 | C45 | H45 | 119.8° | 120.0° |
| C48 | C49 | C42 | C43 | 72.6° | 60.0° |
| C49 | C48 | C45 | F47 | 69.2° | 60.0° |
| C49 | C48 | C45 | F46 | 173.7° | 180.0° |
| C49 | C48 | C45 | C44 | 52.0° | 60.0° |
| C48 | C49 | C42 | H39 | 42.8° | 60.0° |
| C49 | C48 | H44 | H45 | 120.4° | 120.0° |
| C48 | C49 | H46 | H47 | 121.6° | 120.0° |
| C49 | C42 | C32 | C43 | 124.5° | 120.0° |
| C49 | C42 | C32 | H39 | 115.6° | 119.9° |
| C49 | C42 | C32 | C30 | 163.1° | 60.0° |
| C42 | C49 | C48 | C45 | 61.4° | 60.0° |
| C49 | C42 | C43 | H39 | 115.3° | 120.0° |
| C49 | C42 | C43 | C44 | 67.5° | 60.0° |
| C49 | C42 | C32 | H28 | 35.6° | 180.0° |
| C49 | C42 | C43 | H40 | 173.2° | 180.0° |
| C49 | C42 | C43 | H41 | 51.9° | 60.0° |
| C42 | C49 | C48 | H44 | 178.7° | 60.0° |
| C42 | C49 | C48 | H45 | 58.4° | 180.0° |
| C42 | C49 | H46 | H47 | 121.5° | 120.1° |
| C42 | C32 | C30 | H28 | 127.4° | 120.0° |
| C32 | C42 | C43 | H39 | 119.8° | 120.0° |
| C42 | C32 | C30 | O31 | 77.9° | 100.0° |
| C32 | C42 | C43 | C44 | 167.7° | 180.0° |
| C42 | C32 | N34 | H29 | 180.0° | 60.1° |
| C32 | C42 | C43 | H40 | 48.3° | 60.0° |
| C32 | C42 | C43 | H41 | 73.0° | 60.0° |
| C32 | C42 | C49 | H46 | 39.0° | 60.1° |
| C32 | C42 | C49 | H47 | 82.1° | 60.0° |
| C42 | C32 | N34 | H2 | 60.0° | 63.9° |
| C42 | C32 | C30 | OXT | 0.7° | 79.8° |
| C30 | C32 | C42 | C43 | 38.6° | 180.0° |
| C32 | C30 | O31 | OXT | 111.4° | 179.8° |
| C30 | C32 | N34 | H29 | 58.7° | 60.0° |
| C30 | C32 | C42 | H39 | 81.3° | 60.0° |
| C30 | C32 | N34 | H2 | 61.4° | 176.1° |
| C32 | C30 | OXT | HXT | 90.0° | 179.8° |
| C48 | C45 | F47 | F46 | 116.0° | 120.0° |
| C48 | C45 | F47 | C44 | 124.4° | 120.0° |
| C48 | C45 | F46 | C44 | 124.3° | 120.0° |
| C48 | C45 | C44 | C43 | 49.7° | 60.0° |
| C48 | C45 | C44 | H42 | 170.1° | 60.0° |
| C48 | C45 | C44 | H43 | 70.7° | 180.0° |
| C45 | C48 | H44 | H45 | 120.5° | 120.0° |
| C45 | C48 | C49 | H46 | 179.1° | 60.0° |
| C45 | C48 | C49 | H47 | 58.0° | 180.0° |
| C42 | C43 | C44 | C45 | 54.7° | 60.0° |
| C42 | C43 | C44 | H40 | 119.3° | 120.0° |
| C42 | C43 | C44 | H41 | 119.3° | 120.0° |
| C43 | C42 | C32 | H28 | 89.0° | 60.0° |
| C42 | C43 | H40 | H41 | 121.9° | 120.0° |
| C42 | C43 | C44 | H42 | 175.1° | 60.0° |
| C42 | C43 | C44 | H43 | 65.7° | 180.0° |
| C43 | C42 | C49 | H46 | 168.0° | 60.0° |
| C43 | C42 | C49 | H47 | 46.9° | 180.0° |
| O31 | C30 | C32 | H28 | 154.6° | 140.0° |
| O31 | C30 | OXT | HXT | 90.0° | 0.0° |
| F47 | C45 | F46 | C44 | 119.0° | 120.0° |
| F47 | C45 | C44 | C43 | 71.1° | 60.0° |
| F47 | C45 | C44 | H42 | 49.3° | 180.0° |
| F47 | C45 | C44 | H43 | 168.5° | 60.0° |
| F47 | C45 | C48 | H44 | 50.7° | 180.0° |
| F47 | C45 | C48 | H45 | 171.0° | 60.0° |
| F46 | C45 | C44 | C43 | 169.8° | 180.0° |
| F46 | C45 | C44 | H42 | 69.8° | 60.0° |
| F46 | C45 | C44 | H43 | 49.4° | 60.0° |
| F46 | C45 | C48 | H44 | 66.5° | 60.0° |
| F46 | C45 | C48 | H45 | 53.8° | 60.0° |
| C45 | C44 | C43 | H42 | 120.4° | 120.0° |
| C45 | C44 | C43 | H43 | 120.4° | 120.0° |
| C45 | C44 | C43 | H40 | 174.1° | 180.0° |
| C45 | C44 | C43 | H41 | 64.6° | 60.0° |
| C45 | C44 | H42 | H43 | 118.7° | 119.9° |
| C44 | C45 | C48 | H44 | 171.9° | 60.0° |
| C44 | C45 | C48 | H45 | 67.8° | 180.0° |
| C44 | C43 | C42 | H39 | 47.8° | 60.0° |
| C44 | C43 | H40 | H41 | 122.0° | 120.0° |
| C43 | C44 | H42 | H43 | 118.7° | 120.1° |
| H28 | C32 | N34 | H29 | 62.3° | 180.0° |
| H28 | C32 | C42 | H39 | 151.2° | 60.1° |
| H28 | C32 | N34 | H2 | 177.7° | 56.0° |
| H28 | C32 | C30 | OXT | 128.1° | 40.2° |
| H39 | C42 | C43 | H40 | 71.5° | 60.0° |
| H39 | C42 | C43 | H41 | 167.2° | 180.0° |
| H39 | C42 | C49 | H46 | 76.7° | 180.0° |
| H39 | C42 | C49 | H47 | 162.3° | 59.9° |
| H40 | C43 | C44 | H42 | 65.5° | 60.0° |
| H40 | C43 | C44 | H43 | 53.6° | 60.0° |
| H41 | C43 | C44 | H42 | 55.8° | 180.0° |
| H41 | C43 | C44 | H43 | 175.0° | 60.0° |
| H44 | C48 | C49 | H46 | 59.3° | 180.0° |
| H44 | C48 | C49 | H47 | 61.8° | 60.0° |
| H45 | C48 | C49 | H46 | 61.0° | 60.0° |
| H45 | C48 | C49 | H47 | 177.9° | 60.0° |
