Y8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C08 | sing | 1.53Å | 1.53Å | |
| C11 | C02 | sing | 1.53Å | 1.53Å | |
| O42 | P41 | doub | 1.48Å | 1.51Å | |
| O05 | C03 | doub | 1.21Å | 1.26Å | |
| O43 | P41 | sing | 1.61Å | 1.51Å | |
| O44 | P41 | sing | 1.61Å | 1.51Å | |
| P41 | O40 | sing | 1.61Å | 1.66Å | |
| C21 | C08 | sing | 1.53Å | 1.60Å | |
| C08 | C06 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C03 | O04 | sing | 1.34Å | 1.26Å | |
| C06 | C01 | sing | 1.53Å | 1.54Å | |
| C06 | N07 | sing | 1.47Å | 1.53Å | |
| O40 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C16 | sing | 1.51Å | 1.54Å | |
| C09 | N07 | sing | 1.47Å | 1.51Å | |
| C09 | C17 | sing | 1.51Å | 1.59Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | O19 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C20 | sing | 1.51Å | 1.56Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| O43 | H10 | sing | 0.97Å | 0.95Å | |
| O44 | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| N07 | H21 | sing | 1.01Å | 1.00Å | |
| O04 | H23 | sing | 0.97Å | 0.95Å | |
| O19 | H24 | sing | 0.97Å | 0.95Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å | |
| C02 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C08 | 112.4° | 109.4° |
| C10 | C11 | C02 | 114.2° | 109.5° |
| C10 | C11 | H3 | 108.3° | 109.5° |
| C10 | C11 | H4 | 108.3° | 109.5° |
| C11 | C10 | H12 | 108.7° | 109.5° |
| C11 | C10 | H13 | 108.7° | 109.5° |
| C10 | C08 | C21 | 122.9° | 109.4° |
| C10 | C08 | C06 | 116.4° | 109.5° |
| C10 | C08 | H7 | 95.6° | 109.5° |
| C08 | C10 | H12 | 108.7° | 109.4° |
| C08 | C10 | H13 | 108.7° | 109.5° |
| C11 | C02 | C03 | 119.7° | 109.5° |
| C11 | C02 | C01 | 118.7° | 109.5° |
| C02 | C11 | H3 | 108.3° | 109.5° |
| C02 | C11 | H4 | 108.3° | 109.5° |
| C11 | C02 | H25 | 96.5° | 109.4° |
| O42 | P41 | O43 | 109.4° | 109.5° |
| O42 | P41 | O44 | 109.6° | 109.5° |
| O42 | P41 | O40 | 110.1° | 109.5° |
| O05 | C03 | C02 | 120.4° | 120.0° |
| O05 | C03 | O04 | 120.4° | 120.0° |
| O43 | P41 | O44 | 109.4° | 109.5° |
| O43 | P41 | O40 | 110.4° | 109.5° |
| P41 | O43 | H10 | 109.5° | 114.0° |
| O44 | P41 | O40 | 108.1° | 109.5° |
| P41 | O44 | H11 | 109.5° | 114.0° |
| P41 | O40 | C18 | 118.3° | 123.0° |
| C21 | C08 | C06 | 118.0° | 109.5° |
| C21 | C08 | H7 | 95.3° | 109.5° |
| C08 | C21 | H18 | 109.5° | 109.5° |
| C08 | C21 | H19 | 109.5° | 109.5° |
| C08 | C21 | H20 | 109.5° | 109.4° |
| C08 | C06 | C01 | 117.7° | 109.5° |
| C08 | C06 | N07 | 118.8° | 109.4° |
| C08 | C06 | H6 | 97.4° | 109.5° |
| C06 | C08 | H7 | 95.5° | 109.5° |
| C03 | C02 | C01 | 117.8° | 109.5° |
| C02 | C03 | O04 | 119.3° | 120.0° |
| C03 | C02 | H25 | 96.5° | 109.5° |
| C02 | C01 | C06 | 119.7° | 109.5° |
| C02 | C01 | H5 | 106.9° | 109.4° |
| C02 | C01 | H22 | 106.9° | 109.4° |
| C01 | C02 | H25 | 96.4° | 109.4° |
| C03 | O04 | H23 | 109.5° | 117.0° |
| C01 | C06 | N07 | 118.6° | 109.5° |
| C06 | C01 | H5 | 106.9° | 109.5° |
| C01 | C06 | H6 | 97.4° | 109.5° |
| C06 | C01 | H22 | 106.9° | 109.5° |
| C06 | N07 | C09 | 110.0° | 111.0° |
| N07 | C06 | H6 | 97.5° | 109.5° |
| C06 | N07 | H21 | 109.3° | 111.0° |
| O40 | C18 | C16 | 110.1° | 109.5° |
| O40 | C18 | H1 | 109.3° | 109.5° |
| O40 | C18 | H2 | 109.3° | 109.5° |
| C18 | C16 | C17 | 120.9° | 120.4° |
| C18 | C16 | C15 | 120.5° | 120.4° |
| C16 | C18 | H1 | 109.3° | 109.5° |
| C16 | C18 | H2 | 109.3° | 109.5° |
| N07 | C09 | C17 | 108.4° | 109.5° |
| N07 | C09 | H8 | 109.7° | 109.4° |
| N07 | C09 | H9 | 109.8° | 109.5° |
| C09 | N07 | H21 | 109.3° | 111.0° |
| C09 | C17 | C16 | 122.2° | 120.8° |
| C09 | C17 | C12 | 119.5° | 120.8° |
| C17 | C09 | H8 | 109.7° | 109.4° |
| C17 | C09 | H9 | 109.7° | 109.5° |
| C17 | C16 | C15 | 118.6° | 119.2° |
| C16 | C17 | C12 | 118.3° | 118.4° |
| C16 | C15 | N14 | 121.6° | 120.9° |
| C16 | C15 | H14 | 119.2° | 119.5° |
| C17 | C12 | O19 | 120.2° | 120.4° |
| C17 | C12 | C13 | 119.4° | 119.1° |
| C15 | N14 | C13 | 121.0° | 121.8° |
| N14 | C15 | H14 | 119.2° | 119.6° |
| O19 | C12 | C13 | 120.4° | 120.5° |
| C12 | O19 | H24 | 109.5° | 114.0° |
| C12 | C13 | N14 | 121.1° | 120.7° |
| C12 | C13 | C20 | 118.8° | 119.7° |
| N14 | C13 | C20 | 120.1° | 119.6° |
| C13 | C20 | H15 | 109.5° | 109.5° |
| C13 | C20 | H16 | 109.5° | 109.5° |
| C13 | C20 | H17 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C01 | H22 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H17 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C08 | H12 | 120.4° | 119.9° |
| C11 | C10 | C08 | H13 | 120.4° | 120.0° |
| C10 | C11 | C02 | H3 | 120.7° | 120.0° |
| C10 | C11 | C02 | H4 | 120.7° | 120.0° |
| C11 | C10 | C08 | C21 | 150.2° | 180.0° |
| C11 | C10 | C08 | C06 | 48.8° | 60.0° |
| C10 | C11 | C02 | C03 | 173.6° | 180.0° |
| C10 | C11 | C02 | C01 | 28.6° | 60.0° |
| C10 | C11 | H3 | H4 | 117.8° | 120.0° |
| C11 | C10 | C08 | H7 | 50.2° | 60.0° |
| C11 | C10 | H12 | H13 | 118.7° | 120.0° |
| C10 | C11 | C02 | H25 | 72.4° | 60.0° |
| C08 | C10 | C11 | C02 | 51.5° | 60.0° |
| C10 | C08 | C21 | C06 | 160.7° | 120.0° |
| C10 | C08 | C21 | H7 | 100.2° | 120.0° |
| C10 | C08 | C06 | H7 | 99.0° | 120.0° |
| C10 | C08 | C06 | C01 | 22.9° | 60.0° |
| C10 | C08 | C06 | N07 | 131.9° | 60.0° |
| C08 | C10 | C11 | H3 | 69.2° | 180.0° |
| C08 | C10 | C11 | H4 | 172.2° | 60.0° |
| C10 | C08 | C06 | H6 | 125.3° | 180.0° |
| C08 | C10 | H12 | H13 | 118.6° | 120.0° |
| C10 | C08 | C21 | H18 | 180.0° | 60.0° |
| C10 | C08 | C21 | H19 | 60.0° | 60.0° |
| C10 | C08 | C21 | H20 | 60.0° | 180.0° |
| C11 | C02 | C03 | O05 | 30.9° | 120.0° |
| C11 | C02 | C03 | C01 | 158.0° | 120.0° |
| C11 | C02 | C03 | H25 | 101.3° | 120.0° |
| C11 | C02 | C01 | H25 | 101.0° | 119.9° |
| C11 | C02 | C03 | O04 | 149.1° | 60.0° |
| C11 | C02 | C01 | C06 | 2.6° | 60.0° |
| C02 | C11 | H3 | H4 | 117.8° | 120.0° |
| C11 | C02 | C01 | H5 | 118.8° | 60.1° |
| C02 | C11 | C10 | H12 | 69.0° | 60.0° |
| C02 | C11 | C10 | H13 | 171.9° | 180.0° |
| C11 | C02 | C01 | H22 | 124.1° | 180.0° |
| O42 | P41 | O43 | O44 | 120.0° | 120.0° |
| O42 | P41 | O43 | O40 | 121.2° | 120.0° |
| O42 | P41 | O44 | O40 | 120.0° | 120.0° |
| O42 | P41 | O40 | C18 | 73.8° | 55.0° |
| O42 | P41 | O43 | H10 | 0.0° | 180.0° |
| O42 | P41 | O44 | H11 | 0.0° | 60.0° |
| O05 | C03 | C02 | O04 | 180.0° | 180.0° |
| O05 | C03 | C02 | C01 | 171.1° | 0.0° |
| O05 | C03 | O04 | H23 | 0.0° | 0.0° |
| O05 | C03 | C02 | H25 | 70.4° | 120.0° |
| O43 | P41 | O44 | O40 | 120.2° | 120.0° |
| O43 | P41 | O40 | C18 | 47.0° | 65.0° |
| O43 | P41 | O44 | H11 | 119.9° | 60.0° |
| O44 | P41 | O40 | C18 | 166.5° | 175.0° |
| O44 | P41 | O43 | H10 | 120.0° | 60.1° |
| P41 | O40 | C18 | C16 | 167.0° | 180.0° |
| P41 | O40 | C18 | H1 | 46.9° | 60.0° |
| P41 | O40 | C18 | H2 | 72.9° | 60.0° |
| O40 | P41 | O43 | H10 | 121.2° | 60.0° |
| O40 | P41 | O44 | H11 | 119.9° | 180.0° |
| C21 | C08 | C06 | H7 | 99.0° | 120.0° |
| C21 | C08 | C06 | C01 | 175.2° | 180.0° |
| C21 | C08 | C06 | N07 | 30.0° | 60.0° |
| C21 | C08 | C06 | H6 | 72.8° | 60.0° |
| C21 | C08 | C10 | H12 | 89.3° | 60.1° |
| C21 | C08 | C10 | H13 | 29.8° | 60.0° |
| C08 | C21 | H18 | H19 | 120.0° | 120.0° |
| C08 | C21 | H18 | H20 | 120.0° | 120.0° |
| C08 | C21 | H19 | H20 | 120.0° | 120.0° |
| C08 | C06 | C01 | C02 | 0.8° | 60.0° |
| C08 | C06 | C01 | N07 | 154.8° | 120.0° |
| C08 | C06 | C01 | H6 | 102.4° | 120.0° |
| C08 | C06 | N07 | H6 | 102.7° | 120.0° |
| C08 | C06 | N07 | C09 | 58.5° | 155.0° |
| C08 | C06 | C01 | H5 | 122.2° | 60.0° |
| C06 | C08 | C10 | H12 | 71.6° | 60.0° |
| C06 | C08 | C10 | H13 | 169.3° | 180.0° |
| C06 | C08 | C21 | H18 | 19.4° | 60.0° |
| C06 | C08 | C21 | H19 | 100.7° | 180.0° |
| C06 | C08 | C21 | H20 | 139.4° | 60.0° |
| C08 | C06 | N07 | H21 | 61.6° | 81.0° |
| C08 | C06 | C01 | H22 | 120.7° | 180.0° |
| C03 | C02 | C01 | H25 | 100.8° | 120.1° |
| C03 | C02 | C01 | C06 | 160.8° | 180.0° |
| C03 | C02 | C11 | H3 | 65.7° | 60.0° |
| C03 | C02 | C11 | H4 | 52.9° | 60.0° |
| C03 | C02 | C01 | H5 | 39.4° | 59.9° |
| C02 | C03 | O04 | H23 | 180.0° | 180.0° |
| C03 | C02 | C01 | H22 | 77.7° | 60.0° |
| C01 | C02 | C03 | O04 | 8.9° | 180.0° |
| C02 | C01 | C06 | H5 | 121.4° | 120.0° |
| C02 | C01 | C06 | H22 | 121.5° | 120.0° |
| C02 | C01 | C06 | N07 | 155.6° | 60.0° |
| C01 | C02 | C11 | H3 | 92.1° | 180.0° |
| C01 | C02 | C11 | H4 | 149.3° | 60.0° |
| C02 | C01 | H5 | H22 | 115.4° | 119.9° |
| C02 | C01 | C06 | H6 | 101.6° | 180.0° |
| O04 | C03 | C02 | H25 | 109.7° | 60.0° |
| C01 | C06 | N07 | H6 | 102.7° | 120.0° |
| C01 | C06 | N07 | C09 | 96.0° | 85.0° |
| C06 | C01 | H5 | H22 | 115.4° | 120.0° |
| C01 | C06 | C08 | H7 | 76.2° | 60.0° |
| C01 | C06 | N07 | H21 | 143.9° | 39.0° |
| C06 | C01 | C02 | H25 | 98.4° | 60.0° |
| C06 | N07 | C09 | H21 | 120.1° | 124.0° |
| C06 | N07 | C09 | C17 | 170.0° | 180.0° |
| N07 | C06 | C01 | H5 | 83.0° | 180.0° |
| N07 | C06 | C08 | H7 | 129.1° | 180.0° |
| C06 | N07 | C09 | H8 | 50.2° | 60.0° |
| C06 | N07 | C09 | H9 | 70.1° | 60.0° |
| N07 | C06 | C01 | H22 | 34.2° | 60.0° |
| O40 | C18 | C16 | H1 | 120.1° | 120.0° |
| O40 | C18 | C16 | H2 | 120.1° | 120.0° |
| O40 | C18 | C16 | C17 | 77.9° | 180.0° |
| O40 | C18 | C16 | C15 | 102.6° | 0.0° |
| O40 | C18 | H1 | H2 | 119.7° | 120.0° |
| C18 | C16 | C17 | C09 | 0.9° | 0.3° |
| C18 | C16 | C17 | C15 | 179.5° | 180.0° |
| C18 | C16 | C17 | C12 | 179.7° | 180.0° |
| C18 | C16 | C15 | N14 | 179.2° | 180.0° |
| C16 | C18 | H1 | H2 | 119.7° | 120.0° |
| C18 | C16 | C15 | H14 | 0.9° | 0.0° |
| N07 | C09 | C17 | H8 | 119.8° | 120.0° |
| N07 | C09 | C17 | H9 | 119.8° | 120.1° |
| N07 | C09 | C17 | C16 | 148.5° | 89.6° |
| N07 | C09 | C17 | C12 | 30.8° | 90.0° |
| C09 | N07 | C06 | H6 | 161.2° | 35.0° |
| N07 | C09 | H8 | H9 | 120.5° | 120.0° |
| C09 | C17 | C16 | C12 | 179.4° | 179.6° |
| C09 | C17 | C16 | C15 | 179.6° | 179.7° |
| C09 | C17 | C12 | O19 | 0.4° | 0.3° |
| C09 | C17 | C12 | C13 | 179.9° | 179.7° |
| C17 | C09 | H8 | H9 | 120.5° | 120.0° |
| C17 | C09 | N07 | H21 | 69.9° | 56.0° |
| C17 | C16 | C15 | N14 | 0.3° | 0.0° |
| C16 | C17 | C12 | O19 | 179.7° | 180.0° |
| C16 | C17 | C12 | C13 | 0.5° | 0.1° |
| C17 | C16 | C18 | H1 | 42.2° | 60.0° |
| C17 | C16 | C18 | H2 | 162.0° | 60.0° |
| C16 | C17 | C09 | H8 | 91.7° | 30.3° |
| C16 | C17 | C09 | H9 | 28.7° | 150.3° |
| C17 | C16 | C15 | H14 | 179.7° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.0° |
| C16 | C15 | N14 | H14 | 180.0° | 180.0° |
| C16 | C15 | N14 | C13 | 0.6° | 0.0° |
| C15 | C16 | C18 | H1 | 137.2° | 120.0° |
| C15 | C16 | C18 | H2 | 17.5° | 120.0° |
| C17 | C12 | O19 | C13 | 179.8° | 180.0° |
| C17 | C12 | C13 | N14 | 0.2° | 0.1° |
| C17 | C12 | C13 | C20 | 179.9° | 180.0° |
| C12 | C17 | C09 | H8 | 89.0° | 150.1° |
| C12 | C17 | C09 | H9 | 150.7° | 30.1° |
| C17 | C12 | O19 | H24 | 180.0° | 90.0° |
| C15 | N14 | C13 | C12 | 0.4° | 0.0° |
| C15 | N14 | C13 | C20 | 179.6° | 180.0° |
| O19 | C12 | C13 | N14 | 180.0° | 180.0° |
| O19 | C12 | C13 | C20 | 0.1° | 0.0° |
| C12 | C13 | N14 | C20 | 179.9° | 180.0° |
| C12 | C13 | C20 | H15 | 180.0° | 90.0° |
| C12 | C13 | C20 | H16 | 60.0° | 150.0° |
| C12 | C13 | C20 | H17 | 60.0° | 30.0° |
| C13 | C12 | O19 | H24 | 0.2° | 89.9° |
| C13 | N14 | C15 | H14 | 179.4° | 180.0° |
| N14 | C13 | C20 | H15 | 0.0° | 90.0° |
| N14 | C13 | C20 | H16 | 120.0° | 30.0° |
| N14 | C13 | C20 | H17 | 120.0° | 150.0° |
| C13 | C20 | H15 | H16 | 120.0° | 120.0° |
| C13 | C20 | H15 | H17 | 120.0° | 120.0° |
| C13 | C20 | H16 | H17 | 120.0° | 120.0° |
| H3 | C11 | C10 | H12 | 170.4° | 60.0° |
| H3 | C11 | C10 | H13 | 51.2° | 60.0° |
| H3 | C11 | C02 | H25 | 167.0° | 60.0° |
| H4 | C11 | C10 | H12 | 51.8° | 179.9° |
| H4 | C11 | C10 | H13 | 67.4° | 60.0° |
| H4 | C11 | C02 | H25 | 48.4° | 179.9° |
| H5 | C01 | C06 | H6 | 19.8° | 60.0° |
| H5 | C01 | C02 | H25 | 140.2° | 180.0° |
| H6 | C06 | C08 | H7 | 26.3° | 60.0° |
| H6 | C06 | N07 | H21 | 41.2° | 159.0° |
| H6 | C06 | C01 | H22 | 136.9° | 60.1° |
| H7 | C08 | C10 | H12 | 170.6° | 180.0° |
| H7 | C08 | C10 | H13 | 70.3° | 60.0° |
| H7 | C08 | C21 | H18 | 79.8° | 180.0° |
| H7 | C08 | C21 | H19 | 160.1° | 60.0° |
| H7 | C08 | C21 | H20 | 40.2° | 60.0° |
| H8 | C09 | N07 | H21 | 170.3° | 64.0° |
| H9 | C09 | N07 | H21 | 49.9° | 176.1° |
| H15 | C20 | H16 | H17 | 120.0° | 120.0° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
| H22 | C01 | C02 | H25 | 23.1° | 60.0° |
