8YC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.55Å | 1.52Å | |
| C12 | C13 | sing | 1.55Å | 1.54Å | |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| C13 | C9 | sing | 1.54Å | 1.53Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C9 | C14 | sing | 1.53Å | 1.56Å | |
| C9 | N4 | sing | 1.47Å | 1.49Å | |
| C14 | O2 | sing | 1.43Å | 1.44Å | |
| N4 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C5 | sing | 1.51Å | 1.54Å | |
| N2 | C6 | trip | 1.14Å | 1.13Å | |
| C6 | C1 | sing | 1.47Å | 1.44Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | N1 | sing | 1.35Å | 1.36Å | |
| N3 | C7 | trip | 1.14Å | 1.15Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C1 | C3 | sing | 1.54Å | 1.54Å | |
| C7 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C4 | sing | 1.55Å | 1.54Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 1.01Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 107.2° | 102.7° |
| C12 | C11 | C10 | 105.8° | 104.2° |
| C12 | C11 | H18 | 110.4° | 110.4° |
| C12 | C11 | H19 | 110.4° | 110.6° |
| C11 | C12 | H20 | 110.1° | 110.8° |
| C11 | C12 | H21 | 110.0° | 110.8° |
| C12 | C13 | C9 | 107.1° | 104.2° |
| C13 | C12 | H20 | 110.0° | 110.7° |
| C13 | C12 | H21 | 110.0° | 110.8° |
| C12 | C13 | H22 | 110.0° | 110.5° |
| C12 | C13 | H23 | 110.1° | 110.5° |
| C11 | C10 | C9 | 108.6° | 106.6° |
| C11 | C10 | H16 | 109.7° | 110.1° |
| C11 | C10 | H17 | 109.7° | 110.1° |
| C10 | C11 | H18 | 110.4° | 110.5° |
| C10 | C11 | H19 | 110.4° | 110.5° |
| C13 | C9 | C10 | 103.2° | 106.6° |
| C13 | C9 | C14 | 114.8° | 110.0° |
| C13 | C9 | N4 | 106.8° | 110.0° |
| C9 | C13 | H22 | 110.1° | 110.5° |
| C9 | C13 | H23 | 110.1° | 110.6° |
| C10 | C9 | C14 | 109.1° | 110.0° |
| C10 | C9 | N4 | 106.2° | 110.0° |
| C9 | C10 | H16 | 109.7° | 110.0° |
| C9 | C10 | H17 | 109.7° | 110.0° |
| C14 | C9 | N4 | 115.7° | 110.0° |
| C9 | C14 | O2 | 117.6° | 109.4° |
| C9 | C14 | H13 | 107.4° | 109.4° |
| C9 | C14 | H14 | 107.4° | 109.4° |
| C9 | N4 | C8 | 114.5° | 111.0° |
| C9 | N4 | H11 | 108.2° | 111.0° |
| O2 | C14 | H13 | 107.4° | 109.5° |
| O2 | C14 | H14 | 107.4° | 109.5° |
| C14 | O2 | H15 | 109.5° | 114.0° |
| N4 | C8 | C5 | 114.6° | 109.5° |
| N4 | C8 | H9 | 108.2° | 109.4° |
| N4 | C8 | H10 | 108.2° | 109.4° |
| C8 | N4 | H11 | 108.2° | 111.0° |
| C8 | C5 | O1 | 119.5° | 120.0° |
| C8 | C5 | N1 | 116.7° | 120.0° |
| C5 | C8 | H9 | 108.2° | 109.5° |
| C5 | C8 | H10 | 108.2° | 109.5° |
| N2 | C6 | C1 | 178.4° | 180.0° |
| C6 | C1 | N1 | 107.1° | 109.9° |
| C6 | C1 | C3 | 111.3° | 109.9° |
| C6 | C1 | H1 | 112.1° | 110.0° |
| O1 | C5 | N1 | 123.7° | 120.0° |
| C5 | N1 | C1 | 123.5° | 125.7° |
| C5 | N1 | C2 | 124.4° | 125.6° |
| N3 | C7 | C2 | 121.5° | 180.0° |
| C1 | N1 | C2 | 112.1° | 108.7° |
| N1 | C1 | C3 | 103.5° | 107.3° |
| N1 | C1 | H1 | 111.8° | 109.8° |
| N1 | C2 | C7 | 112.9° | 110.4° |
| N1 | C2 | C4 | 103.8° | 104.7° |
| N1 | C2 | H6 | 109.9° | 110.3° |
| C1 | C3 | C4 | 104.1° | 103.0° |
| C3 | C1 | H1 | 110.6° | 109.9° |
| C1 | C3 | H2 | 110.8° | 110.7° |
| C1 | C3 | H3 | 110.8° | 110.7° |
| C7 | C2 | C4 | 111.7° | 110.5° |
| C7 | C2 | H6 | 109.6° | 110.4° |
| C2 | C4 | C3 | 107.6° | 101.4° |
| C2 | C4 | H4 | 109.9° | 111.2° |
| C2 | C4 | H5 | 110.0° | 110.9° |
| C4 | C2 | H6 | 108.8° | 110.3° |
| C4 | C3 | H2 | 110.8° | 110.7° |
| C4 | C3 | H3 | 110.8° | 110.7° |
| C3 | C4 | H4 | 109.9° | 111.0° |
| C3 | C4 | H5 | 109.9° | 111.0° |
| H2 | C3 | H3 | 109.5° | 110.8° |
| H4 | C4 | H5 | 109.5° | 110.9° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.4° | 110.0° |
| H18 | C11 | H19 | 109.4° | 110.4° |
| H20 | C12 | H21 | 109.5° | 110.8° |
| H22 | C13 | H23 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H20 | 119.7° | 118.3° |
| C11 | C12 | C13 | H21 | 119.7° | 118.3° |
| C12 | C11 | C10 | H18 | 119.4° | 118.6° |
| C12 | C11 | C10 | H19 | 119.4° | 118.9° |
| C11 | C12 | C13 | C9 | 20.8° | 37.9° |
| C12 | C11 | C10 | C9 | 13.6° | 23.6° |
| C12 | C11 | C10 | H16 | 133.5° | 95.6° |
| C12 | C11 | C10 | H17 | 106.3° | 142.9° |
| C12 | C11 | H18 | H19 | 121.7° | 122.7° |
| C11 | C12 | H20 | H21 | 121.0° | 123.4° |
| C11 | C12 | C13 | H22 | 98.9° | 80.8° |
| C11 | C12 | C13 | H23 | 140.4° | 156.7° |
| C13 | C12 | C11 | C10 | 4.3° | 37.9° |
| C12 | C13 | C9 | H22 | 119.6° | 118.6° |
| C12 | C13 | C9 | H23 | 119.6° | 118.7° |
| C12 | C13 | C9 | C10 | 28.3° | 23.6° |
| C12 | C13 | C9 | C14 | 90.3° | 142.8° |
| C12 | C13 | C9 | N4 | 140.1° | 95.8° |
| C13 | C12 | C11 | H18 | 123.8° | 156.6° |
| C13 | C12 | C11 | H19 | 115.1° | 80.9° |
| C13 | C12 | H20 | H21 | 121.0° | 123.3° |
| C12 | C13 | H22 | H23 | 121.1° | 122.6° |
| C11 | C10 | C9 | C13 | 25.9° | 0.0° |
| C11 | C10 | C9 | H16 | 119.9° | 119.3° |
| C11 | C10 | C9 | H17 | 119.9° | 119.4° |
| C11 | C10 | C9 | C14 | 96.5° | 119.3° |
| C11 | C10 | C9 | N4 | 138.1° | 119.3° |
| C11 | C10 | H16 | H17 | 120.4° | 121.5° |
| C10 | C11 | H18 | H19 | 121.7° | 122.5° |
| C10 | C11 | C12 | H20 | 124.0° | 80.4° |
| C10 | C11 | C12 | H21 | 115.3° | 156.3° |
| C13 | C9 | C10 | C14 | 122.5° | 119.3° |
| C13 | C9 | C10 | N4 | 112.2° | 119.3° |
| C13 | C9 | C14 | N4 | 125.1° | 121.4° |
| C13 | C9 | C14 | O2 | 42.3° | 66.4° |
| C13 | C9 | N4 | C8 | 75.8° | 178.2° |
| C13 | C9 | N4 | H11 | 163.5° | 57.8° |
| C13 | C9 | C14 | H13 | 78.9° | 53.6° |
| C13 | C9 | C14 | H14 | 163.4° | 173.6° |
| C13 | C9 | C10 | H16 | 145.8° | 119.3° |
| C13 | C9 | C10 | H17 | 93.9° | 119.4° |
| C9 | C13 | C12 | H20 | 140.5° | 80.4° |
| C9 | C13 | C12 | H21 | 98.9° | 156.2° |
| C9 | C13 | H22 | H23 | 121.1° | 122.7° |
| C10 | C9 | C14 | N4 | 119.7° | 121.4° |
| C10 | C9 | C14 | O2 | 157.5° | 176.4° |
| C10 | C9 | N4 | C8 | 174.6° | 64.6° |
| C10 | C9 | N4 | H11 | 53.9° | 59.3° |
| C10 | C9 | C14 | H13 | 36.4° | 63.5° |
| C10 | C9 | C14 | H14 | 81.3° | 56.4° |
| C9 | C10 | H16 | H17 | 120.4° | 121.4° |
| C9 | C10 | C11 | H18 | 105.8° | 142.3° |
| C9 | C10 | C11 | H19 | 133.1° | 95.3° |
| C10 | C9 | C13 | H22 | 91.3° | 95.1° |
| C10 | C9 | C13 | H23 | 148.0° | 142.3° |
| C9 | C14 | O2 | H13 | 121.2° | 120.0° |
| C9 | C14 | O2 | H14 | 121.1° | 120.0° |
| C14 | C9 | N4 | C8 | 53.3° | 56.8° |
| C14 | C9 | N4 | H11 | 67.4° | 179.3° |
| C9 | C14 | H13 | H14 | 116.3° | 119.9° |
| C9 | C14 | O2 | H15 | 180.0° | 180.0° |
| C14 | C9 | C10 | H16 | 23.4° | 121.5° |
| C14 | C9 | C10 | H17 | 143.6° | 0.1° |
| C14 | C9 | C13 | H22 | 150.1° | 24.2° |
| C14 | C9 | C13 | H23 | 29.3° | 98.4° |
| N4 | C9 | C14 | O2 | 82.8° | 55.0° |
| C9 | N4 | C8 | H11 | 120.7° | 124.0° |
| C9 | N4 | C8 | C5 | 90.7° | 174.9° |
| C9 | N4 | C8 | H9 | 148.5° | 54.9° |
| C9 | N4 | C8 | H10 | 30.0° | 65.1° |
| N4 | C9 | C14 | H13 | 156.0° | 175.1° |
| N4 | C9 | C14 | H14 | 38.4° | 65.0° |
| N4 | C9 | C10 | H16 | 102.0° | 0.1° |
| N4 | C9 | C10 | H17 | 18.2° | 121.3° |
| N4 | C9 | C13 | H22 | 20.4° | 145.6° |
| N4 | C9 | C13 | H23 | 100.3° | 23.0° |
| O2 | C14 | H13 | H14 | 116.3° | 120.1° |
| N4 | C8 | C5 | H9 | 120.8° | 120.0° |
| N4 | C8 | C5 | H10 | 120.7° | 120.0° |
| N4 | C8 | C5 | O1 | 8.3° | 0.0° |
| N4 | C8 | C5 | N1 | 173.0° | 179.7° |
| N4 | C8 | H9 | H10 | 117.7° | 120.0° |
| C8 | C5 | O1 | N1 | 178.5° | 179.7° |
| C8 | C5 | N1 | C1 | 15.4° | 179.7° |
| C8 | C5 | N1 | C2 | 167.8° | 0.1° |
| C5 | C8 | H9 | H10 | 117.7° | 120.1° |
| C5 | C8 | N4 | H11 | 30.0° | 50.9° |
| N2 | C6 | C1 | N1 | 36.8° | 75.8° |
| N2 | C6 | C1 | C3 | 75.7° | 166.5° |
| N2 | C6 | C1 | H1 | 159.8° | 45.3° |
| C6 | C1 | N1 | C5 | 92.5° | 61.6° |
| C6 | C1 | N1 | C3 | 117.7° | 119.4° |
| C6 | C1 | N1 | H1 | 123.2° | 121.2° |
| C6 | C1 | N1 | C2 | 90.3° | 118.1° |
| C6 | C1 | C3 | H1 | 125.4° | 121.2° |
| C6 | C1 | C3 | C4 | 85.3° | 141.6° |
| C6 | C1 | C3 | H2 | 155.5° | 100.1° |
| C6 | C1 | C3 | H3 | 33.8° | 23.2° |
| O1 | C5 | N1 | C1 | 163.2° | 0.0° |
| O1 | C5 | N1 | C2 | 13.6° | 179.7° |
| O1 | C5 | C8 | H9 | 112.4° | 119.9° |
| O1 | C5 | C8 | H10 | 129.1° | 120.0° |
| C5 | N1 | C1 | C2 | 177.2° | 179.7° |
| C5 | N1 | C1 | C3 | 149.7° | 179.0° |
| C5 | N1 | C2 | C7 | 75.3° | 85.2° |
| C5 | N1 | C2 | C4 | 163.5° | 155.8° |
| C5 | N1 | C1 | H1 | 30.7° | 59.6° |
| C5 | N1 | C2 | H6 | 47.4° | 37.1° |
| N1 | C5 | C8 | H9 | 66.2° | 60.3° |
| N1 | C5 | C8 | H10 | 52.3° | 59.8° |
| N3 | C7 | C2 | N1 | 40.6° | 110.8° |
| N3 | C7 | C2 | C4 | 76.0° | 4.6° |
| N3 | C7 | C2 | H6 | 163.4° | 127.0° |
| N1 | C1 | C3 | H1 | 119.9° | 119.4° |
| C1 | N1 | C2 | C7 | 107.6° | 94.5° |
| C1 | N1 | C2 | C4 | 13.6° | 24.5° |
| N1 | C1 | C3 | C4 | 29.4° | 22.2° |
| N1 | C1 | C3 | H2 | 89.7° | 140.5° |
| N1 | C1 | C3 | H3 | 148.6° | 96.2° |
| C1 | N1 | C2 | H6 | 129.7° | 143.2° |
| C2 | N1 | C1 | C3 | 27.4° | 1.3° |
| N1 | C2 | C7 | C4 | 116.6° | 115.4° |
| N1 | C2 | C7 | H6 | 122.8° | 122.2° |
| N1 | C2 | C4 | H6 | 116.9° | 118.7° |
| N1 | C2 | C4 | C3 | 6.3° | 37.3° |
| C2 | N1 | C1 | H1 | 146.5° | 120.7° |
| N1 | C2 | C4 | H4 | 113.4° | 80.8° |
| N1 | C2 | C4 | H5 | 126.0° | 155.3° |
| C1 | C3 | C4 | C2 | 22.2° | 35.7° |
| C1 | C3 | C4 | H2 | 119.1° | 118.3° |
| C1 | C3 | C4 | H3 | 119.1° | 118.4° |
| C1 | C3 | H2 | H3 | 122.5° | 123.2° |
| C1 | C3 | C4 | H4 | 97.5° | 82.5° |
| C1 | C3 | C4 | H5 | 141.9° | 153.6° |
| C7 | C2 | C4 | H6 | 121.1° | 122.4° |
| C7 | C2 | C4 | C3 | 128.2° | 81.6° |
| C7 | C2 | C4 | H4 | 8.5° | 160.3° |
| C7 | C2 | C4 | H5 | 112.1° | 36.4° |
| C2 | C4 | C3 | H4 | 119.7° | 118.2° |
| C2 | C4 | C3 | H5 | 119.7° | 117.9° |
| C2 | C4 | C3 | H2 | 97.0° | 154.0° |
| C2 | C4 | C3 | H3 | 141.3° | 82.7° |
| C2 | C4 | H4 | H5 | 120.9° | 124.0° |
| C4 | C3 | C1 | H1 | 149.3° | 97.2° |
| C4 | C3 | H2 | H3 | 122.5° | 123.2° |
| C3 | C4 | H4 | H5 | 120.9° | 123.9° |
| C3 | C4 | C2 | H6 | 110.7° | 156.1° |
| H1 | C1 | C3 | H2 | 30.1° | 21.2° |
| H1 | C1 | C3 | H3 | 91.6° | 144.5° |
| H2 | C3 | C4 | H4 | 143.3° | 35.8° |
| H2 | C3 | C4 | H5 | 22.7° | 88.1° |
| H3 | C3 | C4 | H4 | 21.6° | 159.1° |
| H3 | C3 | C4 | H5 | 99.0° | 35.2° |
| H4 | C4 | C2 | H6 | 129.6° | 38.0° |
| H5 | C4 | C2 | H6 | 9.0° | 86.0° |
| H9 | C8 | N4 | H11 | 90.8° | 69.1° |
| H10 | C8 | N4 | H11 | 150.7° | 170.9° |
| H13 | C14 | O2 | H15 | 58.8° | 60.1° |
| H14 | C14 | O2 | H15 | 58.8° | 60.0° |
| H16 | C10 | C11 | H18 | 14.1° | 23.1° |
| H16 | C10 | C11 | H19 | 107.1° | 145.5° |
| H17 | C10 | C11 | H18 | 134.3° | 98.4° |
| H17 | C10 | C11 | H19 | 13.2° | 24.0° |
| H18 | C11 | C12 | H20 | 116.6° | 38.3° |
| H18 | C11 | C12 | H21 | 4.1° | 85.1° |
| H19 | C11 | C12 | H20 | 4.5° | 160.8° |
| H19 | C11 | C12 | H21 | 125.2° | 37.4° |
| H20 | C12 | C13 | H22 | 20.8° | 160.9° |
| H20 | C12 | C13 | H23 | 99.9° | 38.3° |
| H21 | C12 | C13 | H22 | 141.5° | 37.6° |
| H21 | C12 | C13 | H23 | 20.8° | 85.0° |
