Y16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C12 | sing | 1.46Å | 1.45Å | |
| N1 | C11 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | C04 | sing | 1.43Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C13 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| O2 | C06 | sing | 1.43Å | 1.47Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C05 | sing | 1.43Å | 1.45Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C11 | O4 | doub | 1.21Å | 1.25Å | |
| C13 | O5 | doub | 1.21Å | 1.20Å | |
| C07 | O6 | sing | 1.43Å | 1.46Å | |
| C14 | O6 | sing | 1.43Å | 1.41Å | |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | C10 | sing | 1.53Å | 1.50Å | |
| C01 | C08 | sing | 1.53Å | 1.51Å | |
| C01 | C09 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | doub | 1.31Å | 1.30Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | C04 | sing | 1.53Å | 1.49Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C05 | C06 | sing | 1.53Å | 1.49Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C07 | C11 | sing | 1.51Å | 1.48Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C08 | H08B | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C09 | H09B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | C11 | 122.6° | 120.0° |
| C12 | N1 | HN1 | 118.7° | 120.0° |
| N1 | C12 | C13 | 111.0° | 109.5° |
| N1 | C12 | H12 | 109.1° | 109.5° |
| N1 | C12 | H12A | 109.1° | 109.5° |
| C11 | N1 | HN1 | 118.7° | 120.0° |
| N1 | C11 | O4 | 123.9° | 120.0° |
| N1 | C11 | C07 | 117.9° | 120.0° |
| C04 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C04 | C03 | 110.9° | 109.5° |
| O1 | C04 | C05 | 108.3° | 109.5° |
| O1 | C04 | H04 | 107.9° | 109.5° |
| C13 | N2 | HN2 | 120.0° | 120.0° |
| C13 | N2 | HN2A | 120.0° | 119.9° |
| N2 | C13 | O5 | 121.9° | 120.0° |
| N2 | C13 | C12 | 115.4° | 120.0° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| C06 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C06 | C05 | 106.9° | 109.5° |
| O2 | C06 | C07 | 106.6° | 109.5° |
| O2 | C06 | H06 | 109.0° | 109.5° |
| C05 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C05 | C04 | 111.4° | 109.5° |
| O3 | C05 | C06 | 110.0° | 109.5° |
| O3 | C05 | H05 | 108.8° | 109.5° |
| O4 | C11 | C07 | 118.0° | 120.0° |
| O5 | C13 | C12 | 122.7° | 120.0° |
| C07 | O6 | C14 | 113.0° | 114.0° |
| O6 | C07 | C06 | 107.6° | 109.5° |
| O6 | C07 | C11 | 110.5° | 109.4° |
| O6 | C07 | H07 | 110.6° | 109.5° |
| O6 | C14 | H14 | 109.5° | 109.4° |
| O6 | C14 | H14A | 109.4° | 109.5° |
| O6 | C14 | H14B | 109.5° | 109.4° |
| C02 | C01 | C10 | 110.2° | 109.5° |
| C02 | C01 | C08 | 108.4° | 109.5° |
| C02 | C01 | C09 | 113.6° | 109.5° |
| C01 | C02 | C03 | 127.9° | 120.0° |
| C01 | C02 | H02 | 116.1° | 120.0° |
| C10 | C01 | C08 | 108.8° | 109.4° |
| C10 | C01 | C09 | 105.7° | 109.4° |
| C01 | C10 | H10 | 109.5° | 109.5° |
| C01 | C10 | H10A | 109.5° | 109.5° |
| C01 | C10 | H10B | 109.5° | 109.5° |
| C08 | C01 | C09 | 110.1° | 109.5° |
| C01 | C08 | H08 | 109.5° | 109.5° |
| C01 | C08 | H08A | 109.5° | 109.5° |
| C01 | C08 | H08B | 109.4° | 109.5° |
| C01 | C09 | H09 | 109.5° | 109.5° |
| C01 | C09 | H09A | 109.5° | 109.4° |
| C01 | C09 | H09B | 109.5° | 109.5° |
| C03 | C02 | H02 | 116.1° | 120.0° |
| C02 | C03 | C04 | 122.7° | 120.0° |
| C02 | C03 | H03 | 118.7° | 120.0° |
| C04 | C03 | H03 | 118.6° | 120.0° |
| C03 | C04 | C05 | 115.3° | 109.5° |
| C03 | C04 | H04 | 107.0° | 109.5° |
| C05 | C04 | H04 | 107.3° | 109.4° |
| C04 | C05 | C06 | 110.0° | 109.5° |
| C04 | C05 | H05 | 108.3° | 109.5° |
| C06 | C05 | H05 | 108.2° | 109.5° |
| C05 | C06 | C07 | 117.0° | 109.5° |
| C05 | C06 | H06 | 108.8° | 109.4° |
| C07 | C06 | H06 | 108.3° | 109.4° |
| C06 | C07 | C11 | 108.3° | 109.5° |
| C06 | C07 | H07 | 109.6° | 109.5° |
| C11 | C07 | H07 | 110.3° | 109.5° |
| H08 | C08 | H08A | 109.4° | 109.5° |
| H08 | C08 | H08B | 109.5° | 109.5° |
| H08A | C08 | H08B | 109.5° | 109.4° |
| H09 | C09 | H09A | 109.5° | 109.5° |
| H09 | C09 | H09B | 109.5° | 109.5° |
| H09A | C09 | H09B | 109.4° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.4° |
| C13 | C12 | H12A | 109.1° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | C11 | HN1 | 180.0° | 179.7° |
| N1 | C12 | C13 | N2 | 155.8° | 180.0° |
| C12 | N1 | C11 | O4 | 8.0° | 0.0° |
| N1 | C12 | C13 | O5 | 24.9° | 0.1° |
| C12 | N1 | C11 | C07 | 178.5° | 180.0° |
| N1 | C12 | C13 | H12 | 120.2° | 120.0° |
| N1 | C12 | C13 | H12A | 120.2° | 120.0° |
| N1 | C12 | H12 | H12A | 119.3° | 120.1° |
| N1 | C11 | O4 | C07 | 173.4° | 180.0° |
| N1 | C11 | C07 | O6 | 125.7° | 175.0° |
| N1 | C11 | C07 | C06 | 116.7° | 65.0° |
| N1 | C11 | C07 | H07 | 3.2° | 55.0° |
| C11 | N1 | C12 | C13 | 73.3° | 180.0° |
| C11 | N1 | C12 | H12 | 47.0° | 60.0° |
| C11 | N1 | C12 | H12A | 166.5° | 60.0° |
| HN1 | N1 | C11 | O4 | 172.0° | 179.7° |
| HN1 | N1 | C11 | C07 | 1.4° | 0.2° |
| HN1 | N1 | C12 | C13 | 106.7° | 0.3° |
| HN1 | N1 | C12 | H12 | 133.0° | 120.2° |
| HN1 | N1 | C12 | H12A | 13.5° | 119.7° |
| O1 | C04 | C05 | O3 | 40.9° | 65.0° |
| O1 | C04 | C03 | C02 | 123.1° | 5.0° |
| O1 | C04 | C03 | C05 | 123.4° | 120.0° |
| O1 | C04 | C03 | H04 | 117.4° | 120.0° |
| O1 | C04 | C03 | H03 | 56.9° | 175.0° |
| O1 | C04 | C05 | H04 | 116.2° | 120.0° |
| O1 | C04 | C05 | C06 | 163.2° | 55.0° |
| O1 | C04 | C05 | H05 | 78.8° | 175.0° |
| HO1 | O1 | C04 | C03 | 180.0° | 60.0° |
| HO1 | O1 | C04 | C05 | 52.6° | 60.0° |
| HO1 | O1 | C04 | H04 | 63.2° | 180.0° |
| C13 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C13 | O5 | C12 | 179.2° | 179.9° |
| N2 | C13 | C12 | H12 | 35.6° | 60.0° |
| N2 | C13 | C12 | H12A | 83.9° | 59.9° |
| HN2 | N2 | C13 | O5 | 0.0° | 180.0° |
| HN2 | N2 | C13 | C12 | 179.3° | 0.1° |
| HN2A | N2 | C13 | O5 | 180.0° | 0.0° |
| HN2A | N2 | C13 | C12 | 0.7° | 180.0° |
| O2 | C06 | C05 | O3 | 45.1° | 60.0° |
| O2 | C06 | C07 | O6 | 166.4° | 174.7° |
| O2 | C06 | C05 | C04 | 78.1° | 60.0° |
| O2 | C06 | C05 | C07 | 119.4° | 120.0° |
| O2 | C06 | C05 | H06 | 117.6° | 120.0° |
| O2 | C06 | C05 | H05 | 163.8° | 180.0° |
| O2 | C06 | C07 | H06 | 117.2° | 120.0° |
| O2 | C06 | C07 | C11 | 74.2° | 65.3° |
| O2 | C06 | C07 | H07 | 46.1° | 54.8° |
| HO2 | O2 | C06 | C05 | 180.0° | 60.0° |
| HO2 | O2 | C06 | C07 | 54.1° | 60.0° |
| HO2 | O2 | C06 | H06 | 62.5° | 180.0° |
| O3 | C05 | C04 | C03 | 165.7° | 55.0° |
| O3 | C05 | C04 | C06 | 122.3° | 120.0° |
| O3 | C05 | C04 | H05 | 119.6° | 120.0° |
| O3 | C05 | C04 | H04 | 75.3° | 175.0° |
| O3 | C05 | C06 | H05 | 118.8° | 120.0° |
| O3 | C05 | C06 | C07 | 74.3° | 60.1° |
| O3 | C05 | C06 | H06 | 162.6° | 180.0° |
| HO3 | O3 | C05 | C04 | 180.0° | 60.0° |
| HO3 | O3 | C05 | C06 | 57.7° | 60.0° |
| HO3 | O3 | C05 | H05 | 60.7° | 180.0° |
| O4 | C11 | C07 | O6 | 48.1° | 5.1° |
| O4 | C11 | C07 | C06 | 69.5° | 115.0° |
| O4 | C11 | C07 | H07 | 170.6° | 125.0° |
| O5 | C13 | C12 | H12 | 145.1° | 120.0° |
| O5 | C13 | C12 | H12A | 95.3° | 120.0° |
| O6 | C07 | C06 | C05 | 46.9° | 54.7° |
| O6 | C07 | C06 | C11 | 119.4° | 120.0° |
| O6 | C07 | C06 | H07 | 120.3° | 120.0° |
| O6 | C07 | C06 | H06 | 76.4° | 65.3° |
| O6 | C07 | C11 | H07 | 122.5° | 120.0° |
| C07 | O6 | C14 | H14 | 180.0° | 64.2° |
| C07 | O6 | C14 | H14A | 60.0° | 175.8° |
| C07 | O6 | C14 | H14B | 60.0° | 55.7° |
| C14 | O6 | C07 | C06 | 165.9° | 123.2° |
| C14 | O6 | C07 | C11 | 76.1° | 116.8° |
| C14 | O6 | C07 | H07 | 46.2° | 3.2° |
| O6 | C14 | H14 | H14A | 120.0° | 120.0° |
| O6 | C14 | H14 | H14B | 120.0° | 119.9° |
| O6 | C14 | H14A | H14B | 120.0° | 120.0° |
| C02 | C01 | C10 | C08 | 118.7° | 120.0° |
| C02 | C01 | C10 | C09 | 123.1° | 120.0° |
| C02 | C01 | C08 | C09 | 124.8° | 120.1° |
| C01 | C02 | C03 | H02 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 171.5° | 180.0° |
| C01 | C02 | C03 | H03 | 8.5° | 0.0° |
| C02 | C01 | C08 | H08 | 180.0° | 60.0° |
| C02 | C01 | C08 | H08A | 60.0° | 60.1° |
| C02 | C01 | C08 | H08B | 60.0° | 180.0° |
| C02 | C01 | C09 | H09 | 180.0° | 180.0° |
| C02 | C01 | C09 | H09A | 60.0° | 60.0° |
| C02 | C01 | C09 | H09B | 60.0° | 60.0° |
| C02 | C01 | C10 | H10 | 180.0° | 180.0° |
| C02 | C01 | C10 | H10A | 60.0° | 60.0° |
| C02 | C01 | C10 | H10B | 60.0° | 60.0° |
| C10 | C01 | C08 | C09 | 115.4° | 120.0° |
| C10 | C01 | C02 | C03 | 126.5° | 0.0° |
| C10 | C01 | C02 | H02 | 53.5° | 180.0° |
| C10 | C01 | C08 | H08 | 60.2° | 60.0° |
| C10 | C01 | C08 | H08A | 59.8° | 180.0° |
| C10 | C01 | C08 | H08B | 179.8° | 60.0° |
| C10 | C01 | C09 | H09 | 59.1° | 60.0° |
| C10 | C01 | C09 | H09A | 179.1° | 180.0° |
| C10 | C01 | C09 | H09B | 60.9° | 60.0° |
| C01 | C10 | H10 | H10A | 120.0° | 120.0° |
| C01 | C10 | H10 | H10B | 120.0° | 120.0° |
| C01 | C10 | H10A | H10B | 120.0° | 120.0° |
| C08 | C01 | C02 | C03 | 114.6° | 120.0° |
| C08 | C01 | C02 | H02 | 65.4° | 60.0° |
| C01 | C08 | H08 | H08A | 120.0° | 120.0° |
| C01 | C08 | H08 | H08B | 120.0° | 120.0° |
| C01 | C08 | H08A | H08B | 120.0° | 119.9° |
| C08 | C01 | C09 | H09 | 58.3° | 60.0° |
| C08 | C01 | C09 | H09A | 61.8° | 60.0° |
| C08 | C01 | C09 | H09B | 178.3° | 180.0° |
| C08 | C01 | C10 | H10 | 61.3° | 60.0° |
| C08 | C01 | C10 | H10A | 178.7° | 180.0° |
| C08 | C01 | C10 | H10B | 58.7° | 60.0° |
| C09 | C01 | C02 | C03 | 8.1° | 120.0° |
| C09 | C01 | C02 | H02 | 171.9° | 60.0° |
| C09 | C01 | C08 | H08 | 55.2° | 180.0° |
| C09 | C01 | C08 | H08A | 175.2° | 60.0° |
| C09 | C01 | C08 | H08B | 64.8° | 59.9° |
| C01 | C09 | H09 | H09A | 120.0° | 120.0° |
| C01 | C09 | H09 | H09B | 120.0° | 120.0° |
| C01 | C09 | H09A | H09B | 120.0° | 120.0° |
| C09 | C01 | C10 | H10 | 56.9° | 60.0° |
| C09 | C01 | C10 | H10A | 63.1° | 60.0° |
| C09 | C01 | C10 | H10B | 176.9° | 180.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 113.5° | 125.0° |
| C02 | C03 | C04 | H04 | 5.7° | 115.0° |
| H02 | C02 | C03 | C04 | 8.5° | 0.0° |
| H02 | C02 | C03 | H03 | 171.5° | 180.0° |
| C03 | C04 | C05 | H04 | 119.0° | 120.0° |
| C03 | C04 | C05 | C06 | 72.0° | 175.0° |
| C03 | C04 | C05 | H05 | 46.1° | 65.0° |
| H03 | C03 | C04 | C05 | 66.5° | 55.0° |
| H03 | C03 | C04 | H04 | 174.3° | 65.0° |
| C04 | C05 | C06 | H05 | 118.1° | 120.0° |
| C04 | C05 | C06 | C07 | 162.6° | 180.0° |
| C04 | C05 | C06 | H06 | 39.5° | 60.0° |
| H04 | C04 | C05 | C06 | 47.0° | 65.0° |
| H04 | C04 | C05 | H05 | 165.1° | 55.0° |
| C05 | C06 | C07 | H06 | 123.3° | 119.9° |
| C05 | C06 | C07 | C11 | 166.3° | 174.7° |
| C05 | C06 | C07 | H07 | 73.4° | 65.3° |
| H05 | C05 | C06 | C07 | 44.5° | 59.9° |
| H05 | C05 | C06 | H06 | 78.6° | 60.0° |
| C06 | C07 | C11 | H07 | 119.9° | 120.0° |
| H06 | C06 | C07 | C11 | 43.0° | 54.7° |
| H06 | C06 | C07 | H07 | 163.3° | 174.8° |
| H08 | C08 | H08A | H08B | 120.0° | 120.0° |
| H09 | C09 | H09A | H09B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| C13 | C12 | H12 | H12A | 119.3° | 120.0° |
| H14 | C14 | H14A | H14B | 119.9° | 120.0° |
