Y5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C16 | sing | 1.43Å | 1.39Å | |
| O15 | C14 | sing | 1.36Å | 1.40Å | |
| C17 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| N19 | C18 | sing | 1.40Å | 1.48Å | |
| N19 | C20 | sing | 1.35Å | 1.44Å | |
| C18 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| O22 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | C21 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | N10 | sing | 1.40Å | 1.45Å | |
| C06 | C07 | sing | 1.54Å | 1.52Å | |
| C06 | C05 | sing | 1.51Å | 1.55Å | |
| N10 | C21 | sing | 1.47Å | 1.42Å | |
| N10 | C09 | sing | 1.39Å | 1.45Å | |
| C07 | C08 | sing | 1.54Å | 1.51Å | |
| C05 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | N23 | sing | 1.33Å | 1.33Å | Aromatic |
| C08 | C04 | sing | 1.51Å | 1.54Å | |
| C04 | N03 | doub | 1.33Å | 1.35Å | Aromatic |
| N23 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O15 | C14 | 113.2° | 117.0° |
| O15 | C16 | H12 | 109.5° | 109.4° |
| O15 | C16 | H13 | 109.5° | 109.5° |
| O15 | C16 | H14 | 109.5° | 109.5° |
| O15 | C14 | C17 | 119.0° | 119.9° |
| O15 | C14 | C13 | 121.2° | 119.9° |
| C14 | C17 | C18 | 120.7° | 119.8° |
| C17 | C14 | C13 | 119.8° | 120.2° |
| C14 | C17 | H15 | 119.7° | 120.1° |
| C17 | C18 | N19 | 119.0° | 120.8° |
| C17 | C18 | C11 | 120.1° | 119.7° |
| C18 | C17 | H15 | 119.6° | 120.1° |
| C14 | C13 | C12 | 119.6° | 120.1° |
| C14 | C13 | H11 | 120.2° | 119.9° |
| C18 | N19 | C20 | 119.9° | 120.8° |
| N19 | C18 | C11 | 121.0° | 119.5° |
| C18 | N19 | H18 | 120.1° | 119.6° |
| N19 | C20 | O22 | 122.6° | 119.7° |
| N19 | C20 | C21 | 114.1° | 120.8° |
| C20 | N19 | H18 | 120.0° | 119.6° |
| C18 | C11 | C12 | 119.8° | 120.3° |
| C18 | C11 | N10 | 117.2° | 118.7° |
| C13 | C12 | C11 | 120.1° | 119.8° |
| C13 | C12 | H10 | 119.9° | 120.1° |
| C12 | C13 | H11 | 120.2° | 120.0° |
| O22 | C20 | C21 | 123.3° | 119.6° |
| C20 | C21 | N10 | 113.5° | 109.1° |
| C20 | C21 | H16 | 108.5° | 109.6° |
| C20 | C21 | H17 | 108.5° | 109.6° |
| C12 | C11 | N10 | 123.0° | 121.1° |
| C11 | C12 | H10 | 120.0° | 120.1° |
| C11 | N10 | C21 | 117.3° | 117.9° |
| C11 | N10 | C09 | 124.2° | 121.1° |
| C07 | C06 | C05 | 107.7° | 105.1° |
| C06 | C07 | C08 | 104.5° | 102.5° |
| C07 | C06 | H4 | 109.9° | 110.3° |
| C07 | C06 | H5 | 109.9° | 110.3° |
| C06 | C07 | H6 | 110.7° | 110.8° |
| C06 | C07 | H7 | 110.7° | 110.8° |
| C06 | C05 | C09 | 134.5° | 131.4° |
| C06 | C05 | C04 | 109.1° | 110.0° |
| C05 | C06 | H4 | 109.9° | 110.6° |
| C05 | C06 | H5 | 109.9° | 110.0° |
| C21 | N10 | C09 | 118.4° | 121.1° |
| N10 | C21 | H16 | 108.5° | 109.3° |
| N10 | C21 | H17 | 108.5° | 109.7° |
| N10 | C09 | C05 | 122.2° | 120.6° |
| N10 | C09 | N23 | 118.6° | 120.6° |
| C07 | C08 | C04 | 108.4° | 105.3° |
| C08 | C07 | H6 | 110.7° | 110.4° |
| C08 | C07 | H7 | 110.7° | 111.0° |
| C07 | C08 | H8 | 109.7° | 110.3° |
| C07 | C08 | H9 | 109.7° | 110.3° |
| C09 | C05 | C04 | 116.5° | 118.6° |
| C05 | C09 | N23 | 119.1° | 118.8° |
| C05 | C04 | C08 | 108.9° | 109.8° |
| C05 | C04 | N03 | 121.2° | 119.0° |
| C09 | N23 | C02 | 122.1° | 120.6° |
| C08 | C04 | N03 | 129.9° | 131.2° |
| C04 | C08 | H8 | 109.8° | 109.9° |
| C04 | C08 | H9 | 109.8° | 110.6° |
| C04 | N03 | C02 | 120.0° | 121.0° |
| N23 | C02 | N03 | 121.1° | 121.9° |
| N23 | C02 | C01 | 119.3° | 119.0° |
| N03 | C02 | C01 | 119.6° | 119.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 110.4° |
| H6 | C07 | H7 | 109.5° | 110.9° |
| H8 | C08 | H9 | 109.5° | 110.3° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O15 | C14 | C17 | 165.4° | 180.0° |
| C16 | O15 | C14 | C13 | 14.8° | 0.1° |
| O15 | C16 | H12 | H13 | 120.0° | 120.0° |
| O15 | C16 | H12 | H14 | 120.0° | 120.0° |
| O15 | C16 | H13 | H14 | 120.0° | 120.1° |
| O15 | C14 | C17 | C13 | 179.8° | 180.0° |
| O15 | C14 | C17 | C18 | 179.9° | 179.9° |
| O15 | C14 | C13 | C12 | 179.9° | 179.9° |
| O15 | C14 | C13 | H11 | 0.1° | 0.1° |
| C14 | O15 | C16 | H12 | 180.0° | 180.0° |
| C14 | O15 | C16 | H13 | 60.0° | 60.0° |
| C14 | O15 | C16 | H14 | 60.0° | 60.1° |
| O15 | C14 | C17 | H15 | 0.1° | 0.1° |
| C14 | C17 | C18 | H15 | 180.0° | 179.8° |
| C14 | C17 | C18 | N19 | 179.9° | 179.5° |
| C14 | C17 | C18 | C11 | 0.1° | 0.0° |
| C17 | C14 | C13 | C12 | 0.3° | 0.1° |
| C17 | C14 | C13 | H11 | 179.6° | 179.9° |
| C18 | C17 | C14 | C13 | 0.3° | 0.1° |
| C17 | C18 | N19 | C11 | 179.9° | 179.5° |
| C17 | C18 | N19 | C20 | 163.4° | 166.0° |
| C17 | C18 | C11 | C12 | 0.1° | 0.1° |
| C17 | C18 | C11 | N10 | 180.0° | 179.7° |
| C17 | C18 | N19 | H18 | 16.6° | 13.9° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H10 | 179.8° | 179.9° |
| C13 | C14 | C17 | H15 | 179.7° | 179.9° |
| C18 | N19 | C20 | H18 | 180.0° | 180.0° |
| C18 | N19 | C20 | O22 | 179.9° | 177.7° |
| C18 | N19 | C20 | C21 | 0.6° | 2.1° |
| N19 | C18 | C11 | C12 | 180.0° | 179.4° |
| N19 | C18 | C11 | N10 | 0.1° | 0.8° |
| N19 | C18 | C17 | H15 | 0.2° | 0.7° |
| C20 | N19 | C18 | C11 | 16.6° | 14.5° |
| N19 | C20 | O22 | C21 | 179.2° | 179.7° |
| N19 | C20 | C21 | N10 | 30.6° | 28.9° |
| N19 | C20 | C21 | H16 | 151.3° | 90.7° |
| N19 | C20 | C21 | H17 | 90.0° | 149.0° |
| C18 | C11 | C12 | C13 | 0.0° | 0.0° |
| C18 | C11 | C12 | N10 | 179.9° | 179.8° |
| C18 | C11 | N10 | C21 | 34.0° | 29.2° |
| C18 | C11 | N10 | C09 | 147.9° | 150.9° |
| C18 | C11 | C12 | H10 | 180.0° | 180.0° |
| C11 | C18 | C17 | H15 | 179.9° | 179.8° |
| C11 | C18 | N19 | H18 | 163.4° | 165.5° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 179.9° | 179.8° |
| O22 | C20 | C21 | N10 | 148.6° | 150.9° |
| O22 | C20 | C21 | H16 | 28.0° | 89.5° |
| O22 | C20 | C21 | H17 | 90.8° | 30.7° |
| O22 | C20 | N19 | H18 | 0.1° | 2.4° |
| C20 | C21 | N10 | C11 | 49.0° | 41.9° |
| C20 | C21 | N10 | H16 | 120.6° | 119.8° |
| C20 | C21 | N10 | H17 | 120.6° | 120.0° |
| C20 | C21 | N10 | C09 | 132.7° | 138.2° |
| C20 | C21 | H16 | H17 | 118.2° | 120.2° |
| C21 | C20 | N19 | H18 | 179.4° | 177.9° |
| C12 | C11 | N10 | C21 | 146.1° | 150.6° |
| C12 | C11 | N10 | C09 | 32.0° | 29.3° |
| C11 | C12 | C13 | H11 | 179.8° | 180.0° |
| C11 | N10 | C21 | C09 | 178.2° | 179.9° |
| C11 | N10 | C09 | C05 | 41.4° | 172.6° |
| C11 | N10 | C09 | N23 | 140.6° | 7.7° |
| N10 | C11 | C12 | H10 | 0.1° | 0.2° |
| C11 | N10 | C21 | H16 | 169.6° | 77.9° |
| C11 | N10 | C21 | H17 | 71.6° | 161.9° |
| C07 | C06 | C05 | H4 | 119.7° | 119.0° |
| C07 | C06 | C05 | H5 | 119.7° | 118.7° |
| C06 | C07 | C08 | H6 | 119.2° | 118.1° |
| C06 | C07 | C08 | H7 | 119.2° | 118.4° |
| C07 | C06 | C05 | C09 | 172.8° | 163.0° |
| C07 | C06 | C05 | C04 | 7.5° | 16.8° |
| C06 | C07 | C08 | C04 | 12.1° | 25.7° |
| C07 | C06 | H4 | H5 | 120.9° | 122.1° |
| C06 | C07 | H6 | H7 | 122.3° | 123.6° |
| C06 | C07 | C08 | H8 | 107.8° | 92.8° |
| C06 | C07 | C08 | H9 | 131.9° | 145.0° |
| C06 | C05 | C09 | N10 | 1.6° | 0.3° |
| C05 | C06 | C07 | C08 | 11.9° | 25.7° |
| C06 | C05 | C09 | C04 | 179.6° | 179.8° |
| C06 | C05 | C09 | N23 | 179.5° | 180.0° |
| C06 | C05 | C04 | C08 | 0.2° | 0.1° |
| C06 | C05 | C04 | N03 | 180.0° | 180.0° |
| C05 | C06 | H4 | H5 | 120.8° | 122.0° |
| C05 | C06 | C07 | H6 | 131.1° | 92.1° |
| C05 | C06 | C07 | H7 | 107.3° | 144.3° |
| C21 | N10 | C09 | C05 | 140.5° | 7.3° |
| C21 | N10 | C09 | N23 | 37.5° | 172.4° |
| N10 | C21 | H16 | H17 | 118.1° | 120.3° |
| N10 | C09 | C05 | N23 | 177.9° | 179.7° |
| N10 | C09 | C05 | C04 | 178.8° | 179.9° |
| N10 | C09 | N23 | C02 | 179.1° | 179.7° |
| C09 | N10 | C21 | H16 | 12.1° | 102.0° |
| C09 | N10 | C21 | H17 | 106.6° | 18.1° |
| C07 | C08 | C04 | C05 | 7.9° | 16.7° |
| C07 | C08 | C04 | H8 | 119.8° | 118.8° |
| C07 | C08 | C04 | H9 | 119.8° | 119.1° |
| C07 | C08 | C04 | N03 | 172.3° | 163.2° |
| C08 | C07 | C06 | H4 | 131.6° | 145.0° |
| C08 | C07 | C06 | H5 | 107.8° | 92.9° |
| C08 | C07 | H6 | H7 | 122.3° | 123.5° |
| C07 | C08 | H8 | H9 | 120.5° | 122.2° |
| C09 | C05 | C04 | C08 | 179.5° | 179.8° |
| C09 | C05 | C04 | N03 | 0.3° | 0.2° |
| C05 | C09 | N23 | C02 | 1.1° | 0.0° |
| C09 | C05 | C06 | H4 | 53.1° | 44.0° |
| C09 | C05 | C06 | H5 | 67.5° | 78.3° |
| C04 | C05 | C09 | N23 | 0.9° | 0.2° |
| C05 | C04 | C08 | N03 | 179.8° | 179.9° |
| C05 | C04 | N03 | C02 | 0.1° | 0.1° |
| C04 | C05 | C06 | H4 | 127.3° | 135.8° |
| C04 | C05 | C06 | H5 | 112.2° | 101.9° |
| C05 | C04 | C08 | H8 | 111.9° | 102.1° |
| C05 | C04 | C08 | H9 | 127.7° | 135.8° |
| C09 | N23 | C02 | N03 | 0.7° | 0.3° |
| C09 | N23 | C02 | C01 | 179.5° | 180.0° |
| C08 | C04 | N03 | C02 | 179.8° | 180.0° |
| C04 | C08 | C07 | H6 | 131.3° | 92.5° |
| C04 | C08 | C07 | H7 | 107.2° | 144.1° |
| C04 | C08 | H8 | H9 | 120.5° | 122.2° |
| C04 | N03 | C02 | N23 | 0.1° | 0.3° |
| C04 | N03 | C02 | C01 | 179.9° | 180.0° |
| N03 | C04 | C08 | H8 | 67.9° | 78.0° |
| N03 | C04 | C08 | H9 | 52.5° | 44.1° |
| N23 | C02 | N03 | C01 | 179.8° | 179.7° |
| N23 | C02 | C01 | H1 | 0.0° | 90.3° |
| N23 | C02 | C01 | H2 | 120.0° | 29.7° |
| N23 | C02 | C01 | H3 | 120.0° | 149.7° |
| N03 | C02 | C01 | H1 | 179.8° | 90.0° |
| N03 | C02 | C01 | H2 | 60.2° | 150.0° |
| N03 | C02 | C01 | H3 | 59.8° | 30.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C06 | C07 | H6 | 109.2° | 27.1° |
| H4 | C06 | C07 | H7 | 12.4° | 96.5° |
| H5 | C06 | C07 | H6 | 11.4° | 149.3° |
| H5 | C06 | C07 | H7 | 133.0° | 25.7° |
| H6 | C07 | C08 | H8 | 11.4° | 149.0° |
| H6 | C07 | C08 | H9 | 108.9° | 26.8° |
| H7 | C07 | C08 | H8 | 133.0° | 25.6° |
| H7 | C07 | C08 | H9 | 12.7° | 96.6° |
| H10 | C12 | C13 | H11 | 0.2° | 0.1° |
| H12 | C16 | H13 | H14 | 120.0° | 119.9° |
