H5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N30 | sing | 1.47Å | 1.45Å | |
| N30 | C32 | sing | 1.47Å | 1.45Å | |
| N30 | C29 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | N03 | sing | 1.46Å | 1.46Å | |
| C02 | N03 | sing | 1.47Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.35Å | 1.45Å | |
| C04 | O27 | doub | 1.22Å | 1.18Å | |
| C04 | C05 | sing | 1.47Å | 1.53Å | |
| C26 | C05 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | N25 | doub | 1.31Å | 1.30Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| N25 | N15 | sing | 1.40Å | 1.34Å | Aromatic |
| C06 | N15 | sing | 1.36Å | 1.32Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.52Å | |
| N15 | C16 | sing | 1.40Å | 1.43Å | |
| C07 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| N17 | C16 | doub | 1.32Å | 1.32Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.32Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | O13 | sing | 1.36Å | 1.40Å | |
| C19 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.52Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C21 | O23 | doub | 1.21Å | 1.26Å | |
| C21 | O22 | sing | 1.35Å | 1.27Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| O22 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N30 | C32 | 110.6° | 111.0° |
| C31 | N30 | C29 | 109.9° | 111.0° |
| N30 | C31 | H21 | 109.5° | 109.5° |
| N30 | C31 | H22 | 109.5° | 109.5° |
| N30 | C31 | H23 | 109.5° | 109.4° |
| C32 | N30 | C29 | 109.8° | 111.0° |
| N30 | C32 | H24 | 109.5° | 109.5° |
| N30 | C32 | H25 | 109.5° | 109.5° |
| N30 | C32 | H26 | 109.5° | 109.5° |
| N30 | C29 | C28 | 109.5° | 109.5° |
| N30 | C29 | H19 | 109.4° | 109.4° |
| N30 | C29 | H20 | 109.4° | 109.4° |
| C29 | C28 | N03 | 110.6° | 109.5° |
| C29 | C28 | H3 | 109.2° | 109.5° |
| C29 | C28 | H4 | 109.2° | 109.5° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.5° |
| C28 | N03 | C02 | 119.0° | 120.0° |
| C28 | N03 | C04 | 119.2° | 120.0° |
| N03 | C28 | H3 | 109.2° | 109.5° |
| N03 | C28 | H4 | 109.2° | 109.4° |
| N03 | C02 | C01 | 108.1° | 109.5° |
| C02 | N03 | C04 | 121.8° | 120.0° |
| N03 | C02 | H8 | 109.8° | 109.4° |
| N03 | C02 | H9 | 109.8° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 109.8° | 109.4° |
| C01 | C02 | H9 | 109.8° | 109.5° |
| N03 | C04 | O27 | 118.6° | 120.0° |
| N03 | C04 | C05 | 121.7° | 120.0° |
| O27 | C04 | C05 | 119.6° | 120.0° |
| C04 | C05 | C26 | 125.8° | 126.4° |
| C04 | C05 | C06 | 128.8° | 126.5° |
| C05 | C26 | N25 | 108.0° | 108.4° |
| C26 | C05 | C06 | 105.4° | 107.1° |
| C05 | C26 | H2 | 126.0° | 125.8° |
| C26 | N25 | N15 | 109.6° | 109.3° |
| N25 | C26 | H2 | 126.0° | 125.7° |
| C05 | C06 | N15 | 105.9° | 106.9° |
| C05 | C06 | C07 | 125.0° | 126.5° |
| N25 | N15 | C06 | 111.2° | 108.2° |
| N25 | N15 | C16 | 118.2° | 125.9° |
| N15 | C06 | C07 | 129.2° | 126.6° |
| C06 | N15 | C16 | 130.6° | 125.8° |
| C06 | C07 | C08 | 119.6° | 120.1° |
| C06 | C07 | C12 | 119.3° | 120.1° |
| N15 | C16 | N17 | 115.8° | 119.6° |
| N15 | C16 | C24 | 121.9° | 119.6° |
| C08 | C07 | C12 | 121.0° | 119.8° |
| C07 | C08 | C09 | 119.2° | 119.9° |
| C07 | C08 | H10 | 120.4° | 120.1° |
| C07 | C12 | C11 | 119.9° | 119.9° |
| C07 | C12 | H13 | 120.0° | 120.0° |
| C16 | N17 | C18 | 121.4° | 122.0° |
| N17 | C16 | C24 | 122.2° | 120.8° |
| N17 | C18 | C19 | 120.3° | 121.0° |
| N17 | C18 | H17 | 119.8° | 119.6° |
| C08 | C09 | C10 | 120.4° | 120.1° |
| C09 | C08 | H10 | 120.4° | 120.0° |
| C08 | C09 | H11 | 119.8° | 120.0° |
| C16 | C24 | C20 | 117.5° | 118.9° |
| C16 | C24 | H1 | 121.3° | 120.6° |
| C12 | C11 | C10 | 119.0° | 120.1° |
| C12 | C11 | H12 | 120.5° | 120.0° |
| C11 | C12 | H13 | 120.1° | 120.0° |
| C18 | C19 | C20 | 119.5° | 119.1° |
| C19 | C18 | H17 | 119.9° | 119.5° |
| C18 | C19 | H18 | 120.3° | 120.5° |
| C09 | C10 | C11 | 120.4° | 120.2° |
| C09 | C10 | O13 | 118.7° | 119.9° |
| C10 | C09 | H11 | 119.8° | 119.9° |
| C11 | C10 | O13 | 120.9° | 120.0° |
| C10 | C11 | H12 | 120.5° | 119.9° |
| C24 | C20 | C19 | 119.1° | 118.2° |
| C24 | C20 | C21 | 122.0° | 120.9° |
| C20 | C24 | H1 | 121.2° | 120.5° |
| C10 | O13 | C14 | 115.4° | 117.0° |
| C19 | C20 | C21 | 118.9° | 120.9° |
| C20 | C19 | H18 | 120.2° | 120.4° |
| C20 | C21 | O23 | 119.5° | 120.0° |
| C20 | C21 | O22 | 118.6° | 120.0° |
| O13 | C14 | H14 | 109.5° | 109.5° |
| O13 | C14 | H15 | 109.5° | 109.5° |
| O13 | C14 | H16 | 109.5° | 109.5° |
| O23 | C21 | O22 | 121.9° | 120.0° |
| C21 | O22 | H28 | 109.5° | 117.0° |
| H3 | C28 | H4 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.4° |
| H21 | C31 | H22 | 109.4° | 109.5° |
| H21 | C31 | H23 | 109.5° | 109.5° |
| H22 | C31 | H23 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.4° | 109.5° |
| H24 | C32 | H26 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N30 | C32 | C29 | 121.4° | 124.0° |
| C31 | N30 | C29 | C28 | 165.5° | 66.0° |
| C31 | N30 | C29 | H19 | 45.5° | 54.0° |
| C31 | N30 | C29 | H20 | 74.5° | 173.9° |
| N30 | C31 | H21 | H22 | 120.0° | 120.0° |
| N30 | C31 | H21 | H23 | 120.0° | 119.9° |
| N30 | C31 | H22 | H23 | 120.0° | 120.0° |
| C31 | N30 | C32 | H24 | 180.0° | 64.0° |
| C31 | N30 | C32 | H25 | 60.0° | 176.0° |
| C31 | N30 | C32 | H26 | 60.0° | 56.1° |
| C32 | N30 | C29 | C28 | 72.7° | 170.0° |
| C32 | N30 | C29 | H19 | 167.3° | 69.9° |
| C32 | N30 | C29 | H20 | 47.3° | 50.0° |
| C32 | N30 | C31 | H21 | 180.0° | 60.0° |
| C32 | N30 | C31 | H22 | 60.0° | 180.0° |
| C32 | N30 | C31 | H23 | 60.0° | 60.0° |
| N30 | C32 | H24 | H25 | 120.0° | 120.0° |
| N30 | C32 | H24 | H26 | 120.0° | 120.0° |
| N30 | C32 | H25 | H26 | 120.0° | 120.0° |
| N30 | C29 | C28 | H19 | 120.0° | 120.0° |
| N30 | C29 | C28 | H20 | 120.0° | 120.0° |
| N30 | C29 | C28 | N03 | 166.5° | 180.0° |
| N30 | C29 | C28 | H3 | 73.3° | 60.0° |
| N30 | C29 | C28 | H4 | 46.4° | 60.0° |
| N30 | C29 | H19 | H20 | 120.0° | 119.9° |
| C29 | N30 | C31 | H21 | 58.7° | 176.0° |
| C29 | N30 | C31 | H22 | 178.7° | 56.0° |
| C29 | N30 | C31 | H23 | 61.3° | 64.0° |
| C29 | N30 | C32 | H24 | 58.6° | 60.0° |
| C29 | N30 | C32 | H25 | 61.3° | 60.0° |
| C29 | N30 | C32 | H26 | 178.7° | 180.0° |
| C29 | C28 | N03 | H3 | 120.2° | 120.0° |
| C29 | C28 | N03 | H4 | 120.2° | 120.1° |
| C29 | C28 | N03 | C02 | 106.8° | 90.0° |
| C29 | C28 | N03 | C04 | 74.6° | 90.0° |
| C29 | C28 | H3 | H4 | 119.5° | 120.1° |
| C28 | C29 | H19 | H20 | 120.0° | 120.1° |
| C28 | N03 | C02 | C04 | 178.5° | 180.0° |
| C28 | N03 | C02 | C01 | 86.9° | 85.4° |
| C28 | N03 | C04 | O27 | 1.5° | 4.5° |
| C28 | N03 | C04 | C05 | 179.5° | 175.6° |
| N03 | C28 | H3 | H4 | 119.5° | 119.9° |
| C28 | N03 | C02 | H8 | 32.9° | 34.6° |
| C28 | N03 | C02 | H9 | 153.3° | 154.6° |
| N03 | C28 | C29 | H19 | 46.5° | 60.0° |
| N03 | C28 | C29 | H20 | 73.5° | 60.0° |
| N03 | C02 | C01 | H8 | 119.8° | 119.9° |
| N03 | C02 | C01 | H9 | 119.8° | 120.0° |
| C02 | N03 | C04 | O27 | 179.9° | 175.5° |
| C02 | N03 | C04 | C05 | 1.9° | 4.5° |
| C02 | N03 | C28 | H3 | 133.0° | 30.1° |
| C02 | N03 | C28 | H4 | 13.4° | 150.0° |
| N03 | C02 | C01 | H5 | 180.0° | 179.9° |
| N03 | C02 | C01 | H6 | 60.0° | 60.0° |
| N03 | C02 | C01 | H7 | 60.0° | 60.0° |
| N03 | C02 | H8 | H9 | 120.6° | 120.1° |
| C01 | C02 | N03 | C04 | 91.6° | 94.7° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | H8 | H9 | 120.7° | 120.0° |
| N03 | C04 | O27 | C05 | 178.0° | 180.0° |
| N03 | C04 | C05 | C26 | 55.7° | 54.8° |
| N03 | C04 | C05 | C06 | 126.2° | 125.3° |
| C04 | N03 | C28 | H3 | 45.6° | 150.0° |
| C04 | N03 | C28 | H4 | 165.2° | 30.0° |
| C04 | N03 | C02 | H8 | 148.6° | 145.4° |
| C04 | N03 | C02 | H9 | 28.1° | 25.4° |
| O27 | C04 | C05 | C26 | 122.2° | 125.2° |
| O27 | C04 | C05 | C06 | 55.8° | 54.8° |
| C04 | C05 | C26 | C06 | 178.4° | 180.0° |
| C04 | C05 | C26 | N25 | 179.5° | 180.0° |
| C04 | C05 | C06 | N15 | 179.4° | 180.0° |
| C04 | C05 | C06 | C07 | 2.0° | 0.0° |
| C04 | C05 | C26 | H2 | 0.5° | 0.2° |
| C05 | C26 | N25 | H2 | 180.0° | 179.8° |
| C05 | C26 | N25 | N15 | 0.7° | 0.0° |
| C26 | C05 | C06 | N15 | 1.1° | 0.0° |
| C26 | C05 | C06 | C07 | 179.6° | 180.0° |
| N25 | C26 | C05 | C06 | 1.1° | 0.0° |
| C26 | N25 | N15 | C06 | 0.0° | 0.0° |
| C26 | N25 | N15 | C16 | 178.9° | 180.0° |
| C05 | C06 | N15 | N25 | 0.7° | 0.0° |
| C05 | C06 | N15 | C07 | 178.5° | 180.0° |
| C05 | C06 | N15 | C16 | 179.4° | 180.0° |
| C05 | C06 | C07 | C08 | 61.1° | 135.0° |
| C05 | C06 | C07 | C12 | 117.1° | 44.8° |
| C06 | C05 | C26 | H2 | 178.9° | 179.7° |
| N25 | N15 | C06 | C16 | 178.7° | 180.0° |
| N25 | N15 | C06 | C07 | 179.2° | 180.0° |
| N25 | N15 | C16 | N17 | 29.5° | 155.0° |
| N25 | N15 | C16 | C24 | 147.6° | 25.0° |
| N15 | N25 | C26 | H2 | 179.3° | 179.7° |
| N15 | C06 | C07 | C08 | 120.6° | 45.0° |
| N15 | C06 | C07 | C12 | 61.2° | 135.2° |
| C06 | N15 | C16 | N17 | 151.9° | 25.0° |
| C06 | N15 | C16 | C24 | 31.0° | 155.0° |
| C07 | C06 | N15 | C16 | 2.1° | 0.0° |
| C06 | C07 | C08 | C12 | 178.1° | 179.8° |
| C06 | C07 | C08 | C09 | 179.8° | 179.9° |
| C06 | C07 | C12 | C11 | 179.9° | 179.9° |
| C06 | C07 | C08 | H10 | 0.2° | 0.0° |
| C06 | C07 | C12 | H13 | 0.1° | 0.2° |
| N15 | C16 | N17 | C24 | 177.1° | 180.0° |
| N15 | C16 | N17 | C18 | 178.4° | 179.7° |
| N15 | C16 | C24 | C20 | 177.6° | 180.0° |
| N15 | C16 | C24 | H1 | 2.4° | 0.0° |
| C07 | C08 | C09 | H10 | 180.0° | 180.0° |
| C08 | C07 | C12 | C11 | 1.8° | 0.2° |
| C07 | C08 | C09 | C10 | 1.1° | 0.0° |
| C07 | C08 | C09 | H11 | 178.9° | 179.9° |
| C08 | C07 | C12 | H13 | 178.2° | 180.0° |
| C12 | C07 | C08 | C09 | 1.6° | 0.2° |
| C07 | C12 | C11 | H13 | 180.0° | 179.8° |
| C07 | C12 | C11 | C10 | 1.4° | 0.0° |
| C12 | C07 | C08 | H10 | 178.4° | 179.8° |
| C07 | C12 | C11 | H12 | 178.6° | 180.0° |
| C16 | N17 | C18 | C19 | 0.9° | 0.4° |
| N17 | C16 | C24 | C20 | 0.6° | 0.0° |
| N17 | C16 | C24 | H1 | 179.4° | 180.0° |
| C16 | N17 | C18 | H17 | 179.1° | 179.7° |
| C18 | N17 | C16 | C24 | 1.3° | 0.3° |
| N17 | C18 | C19 | H17 | 180.0° | 179.9° |
| N17 | C18 | C19 | C20 | 0.2° | 0.1° |
| N17 | C18 | C19 | H18 | 179.8° | 180.0° |
| C08 | C09 | C10 | H11 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.8° | 0.2° |
| C08 | C09 | C10 | O13 | 179.7° | 180.0° |
| C16 | C24 | C20 | H1 | 180.0° | 180.0° |
| C16 | C24 | C20 | C19 | 0.5° | 0.2° |
| C16 | C24 | C20 | C21 | 179.1° | 180.0° |
| C12 | C11 | C10 | C09 | 0.9° | 0.2° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | O13 | 179.8° | 180.0° |
| C18 | C19 | C20 | C24 | 0.9° | 0.2° |
| C18 | C19 | C20 | H18 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C09 | C10 | C11 | O13 | 178.8° | 179.8° |
| C09 | C10 | O13 | C14 | 166.3° | 180.0° |
| C10 | C09 | C08 | H10 | 178.9° | 180.0° |
| C09 | C10 | C11 | H12 | 179.1° | 179.8° |
| C11 | C10 | O13 | C14 | 12.6° | 0.2° |
| C11 | C10 | C09 | H11 | 179.2° | 179.7° |
| C10 | C11 | C12 | H13 | 178.6° | 179.8° |
| C24 | C20 | C19 | C21 | 178.7° | 179.8° |
| C24 | C20 | C21 | O23 | 40.1° | 0.0° |
| C24 | C20 | C21 | O22 | 141.8° | 180.0° |
| C24 | C20 | C19 | H18 | 179.2° | 179.7° |
| O13 | C10 | C09 | H11 | 0.3° | 0.1° |
| O13 | C10 | C11 | H12 | 0.2° | 0.1° |
| C10 | O13 | C14 | H14 | 180.0° | 60.0° |
| C10 | O13 | C14 | H15 | 60.0° | 59.9° |
| C10 | O13 | C14 | H16 | 60.0° | 180.0° |
| C19 | C20 | C21 | O23 | 138.6° | 179.7° |
| C19 | C20 | C21 | O22 | 39.5° | 0.2° |
| C19 | C20 | C24 | H1 | 179.6° | 179.7° |
| C20 | C19 | C18 | H17 | 179.8° | 180.0° |
| C20 | C21 | O23 | O22 | 178.0° | 180.0° |
| C21 | C20 | C24 | H1 | 0.9° | 0.0° |
| C21 | C20 | C19 | H18 | 0.5° | 0.1° |
| C20 | C21 | O22 | H28 | 178.0° | 180.0° |
| O13 | C14 | H14 | H15 | 120.0° | 120.0° |
| O13 | C14 | H14 | H16 | 120.0° | 120.0° |
| O13 | C14 | H15 | H16 | 120.0° | 120.1° |
| O23 | C21 | O22 | H28 | 0.0° | 0.0° |
| H3 | C28 | C29 | H19 | 166.7° | 60.0° |
| H3 | C28 | C29 | H20 | 46.7° | 180.0° |
| H4 | C28 | C29 | H19 | 73.6° | 180.0° |
| H4 | C28 | C29 | H20 | 166.4° | 60.0° |
| H5 | C01 | H6 | H7 | 119.9° | 120.0° |
| H5 | C01 | C02 | H8 | 60.2° | 60.0° |
| H5 | C01 | C02 | H9 | 60.3° | 60.0° |
| H6 | C01 | C02 | H8 | 179.8° | 60.0° |
| H6 | C01 | C02 | H9 | 59.8° | 180.0° |
| H7 | C01 | C02 | H8 | 59.8° | 179.9° |
| H7 | C01 | C02 | H9 | 179.8° | 60.0° |
| H10 | C08 | C09 | H11 | 1.1° | 0.1° |
| H12 | C11 | C12 | H13 | 1.4° | 0.2° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C18 | C19 | H18 | 0.2° | 0.1° |
| H21 | C31 | H22 | H23 | 120.0° | 120.0° |
| H24 | C32 | H25 | H26 | 120.0° | 120.0° |
