2YM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C12 | N4 | sing | 1.47Å | 1.49Å | |
| C8 | N4 | sing | 1.47Å | 1.50Å | |
| N4 | C7 | sing | 1.47Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C5 | sing | 1.38Å | 1.33Å | |
| C5 | N5 | sing | 1.37Å | 1.32Å | Aromatic |
| C5 | N2 | doub | 1.31Å | 1.35Å | Aromatic |
| N5 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C13 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | N6 | sing | 1.39Å | 1.39Å | |
| C2 | C1 | sing | 1.47Å | 1.46Å | |
| N6 | C | sing | 1.36Å | 1.35Å | |
| C1 | O | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.34Å | 1.39Å | |
| C | N1 | doub | 1.32Å | 1.35Å | |
| C | N | sing | 1.37Å | 1.32Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 110.7° | 109.2° |
| C10 | C11 | C12 | 111.2° | 109.3° |
| C10 | C11 | H16 | 109.0° | 109.5° |
| C10 | C11 | H17 | 109.0° | 109.5° |
| C11 | C10 | H18 | 109.1° | 109.5° |
| C11 | C10 | H19 | 109.2° | 109.6° |
| C10 | C9 | C8 | 111.6° | 109.3° |
| C9 | C10 | H18 | 109.2° | 109.5° |
| C9 | C10 | H19 | 109.1° | 109.5° |
| C10 | C9 | H20 | 109.0° | 109.5° |
| C10 | C9 | H21 | 108.9° | 109.5° |
| C11 | C12 | N4 | 110.8° | 109.5° |
| C11 | C12 | H14 | 109.1° | 109.5° |
| C11 | C12 | H15 | 109.1° | 109.5° |
| C12 | C11 | H16 | 109.0° | 109.5° |
| C12 | C11 | H17 | 109.0° | 109.5° |
| C9 | C8 | N4 | 111.0° | 109.5° |
| C8 | C9 | H20 | 108.9° | 109.5° |
| C8 | C9 | H21 | 108.9° | 109.5° |
| C9 | C8 | H22 | 109.1° | 109.5° |
| C9 | C8 | H23 | 109.1° | 109.4° |
| C12 | N4 | C8 | 110.0° | 111.2° |
| C12 | N4 | C7 | 111.2° | 111.0° |
| N4 | C12 | H14 | 109.1° | 109.4° |
| N4 | C12 | H15 | 109.1° | 109.5° |
| C8 | N4 | C7 | 111.6° | 111.0° |
| N4 | C8 | H22 | 109.1° | 109.5° |
| N4 | C8 | H23 | 109.1° | 109.5° |
| N4 | C7 | C6 | 113.0° | 109.4° |
| N4 | C7 | H11 | 108.6° | 109.4° |
| N4 | C7 | H12 | 108.6° | 109.5° |
| C7 | C6 | N3 | 112.6° | 109.4° |
| C7 | C6 | H9 | 108.7° | 109.5° |
| C7 | C6 | H10 | 108.7° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.5° |
| C6 | C7 | H12 | 108.6° | 109.5° |
| C6 | N3 | C5 | 122.5° | 120.0° |
| C6 | N3 | H8 | 106.1° | 120.0° |
| N3 | C6 | H9 | 108.7° | 109.5° |
| N3 | C6 | H10 | 108.7° | 109.5° |
| N3 | C5 | N5 | 126.1° | 125.0° |
| N3 | C5 | N2 | 120.2° | 125.1° |
| C5 | N3 | H8 | 106.1° | 120.0° |
| N5 | C5 | N2 | 113.6° | 110.0° |
| C5 | N5 | C13 | 104.5° | 107.3° |
| C5 | N5 | H6 | 127.8° | 126.4° |
| C5 | N2 | C4 | 106.6° | 109.6° |
| N5 | C13 | C4 | 109.7° | 106.1° |
| N5 | C13 | C14 | 130.6° | 133.4° |
| C13 | N5 | H6 | 127.8° | 126.3° |
| N2 | C4 | C13 | 105.6° | 107.0° |
| N2 | C4 | C3 | 133.4° | 133.0° |
| C4 | C13 | C14 | 119.7° | 120.5° |
| C13 | C4 | C3 | 120.9° | 119.9° |
| C13 | C14 | C15 | 119.7° | 119.7° |
| C13 | C14 | H4 | 120.2° | 120.2° |
| C4 | C3 | C2 | 120.3° | 119.4° |
| C4 | C3 | H5 | 119.8° | 120.3° |
| C14 | C15 | C2 | 119.9° | 120.1° |
| C14 | C15 | N6 | 120.3° | 121.6° |
| C15 | C14 | H4 | 120.1° | 120.1° |
| C3 | C2 | C15 | 119.5° | 120.4° |
| C3 | C2 | C1 | 121.2° | 121.6° |
| C2 | C3 | H5 | 119.9° | 120.3° |
| C2 | C15 | N6 | 119.6° | 118.4° |
| C15 | C2 | C1 | 119.0° | 118.0° |
| C15 | N6 | C | 121.6° | 120.3° |
| C15 | N6 | H1 | 119.2° | 119.9° |
| C2 | C1 | O | 122.4° | 120.8° |
| C2 | C1 | N1 | 115.0° | 118.4° |
| N6 | C | N1 | 119.4° | 123.0° |
| N6 | C | N | 120.1° | 118.5° |
| C | N6 | H1 | 119.2° | 119.8° |
| O | C1 | N1 | 122.6° | 120.8° |
| C1 | N1 | C | 125.4° | 121.9° |
| N1 | C | N | 120.4° | 118.5° |
| C | N | H2 | 120.0° | 120.0° |
| C | N | H3 | 120.0° | 120.0° |
| H2 | N | H3 | 120.0° | 119.9° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | C8 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H18 | 120.2° | 119.9° |
| C11 | C10 | C9 | H19 | 120.2° | 119.9° |
| C10 | C11 | C12 | H16 | 120.2° | 120.0° |
| C10 | C11 | C12 | H17 | 120.3° | 120.0° |
| C11 | C10 | C9 | C8 | 52.9° | 57.7° |
| C10 | C11 | C12 | N4 | 57.4° | 59.1° |
| C10 | C11 | C12 | H14 | 177.6° | 60.8° |
| C10 | C11 | C12 | H15 | 62.8° | 179.2° |
| C10 | C11 | H16 | H17 | 119.2° | 120.1° |
| C11 | C10 | H18 | H19 | 119.4° | 120.2° |
| C11 | C10 | C9 | H20 | 173.2° | 177.6° |
| C11 | C10 | C9 | H21 | 67.4° | 62.3° |
| C9 | C10 | C11 | C12 | 53.7° | 57.7° |
| C10 | C9 | C8 | H20 | 120.3° | 119.9° |
| C10 | C9 | C8 | H21 | 120.3° | 119.9° |
| C10 | C9 | C8 | N4 | 55.7° | 59.1° |
| C9 | C10 | C11 | H16 | 66.5° | 177.6° |
| C9 | C10 | C11 | H17 | 174.0° | 62.3° |
| C9 | C10 | H18 | H19 | 119.4° | 120.1° |
| C10 | C9 | H20 | H21 | 119.0° | 120.1° |
| C10 | C9 | C8 | H22 | 64.5° | 179.2° |
| C10 | C9 | C8 | H23 | 176.0° | 60.9° |
| C11 | C12 | N4 | H14 | 120.2° | 120.0° |
| C11 | C12 | N4 | H15 | 120.2° | 120.1° |
| C11 | C12 | N4 | C8 | 59.4° | 61.7° |
| C11 | C12 | N4 | C7 | 176.5° | 174.2° |
| C11 | C12 | H14 | H15 | 119.3° | 120.0° |
| C12 | C11 | H16 | H17 | 119.2° | 120.1° |
| C12 | C11 | C10 | H18 | 66.5° | 62.3° |
| C12 | C11 | C10 | H19 | 173.9° | 177.6° |
| C9 | C8 | N4 | C12 | 58.5° | 61.7° |
| C9 | C8 | N4 | H22 | 120.2° | 120.1° |
| C9 | C8 | N4 | H23 | 120.2° | 120.0° |
| C9 | C8 | N4 | C7 | 177.6° | 174.2° |
| C8 | C9 | C10 | H18 | 67.2° | 62.3° |
| C8 | C9 | C10 | H19 | 173.1° | 177.6° |
| C8 | C9 | H20 | H21 | 119.0° | 120.1° |
| C9 | C8 | H22 | H23 | 119.3° | 119.9° |
| C12 | N4 | C8 | C7 | 123.9° | 124.1° |
| C12 | N4 | C7 | C6 | 154.7° | 170.0° |
| C12 | N4 | C7 | H11 | 34.2° | 70.0° |
| C12 | N4 | C7 | H12 | 84.8° | 50.0° |
| N4 | C12 | H14 | H15 | 119.4° | 120.0° |
| N4 | C12 | C11 | H16 | 62.8° | 179.1° |
| N4 | C12 | C11 | H17 | 177.7° | 60.8° |
| C12 | N4 | C8 | H22 | 61.8° | 178.2° |
| C12 | N4 | C8 | H23 | 178.7° | 58.3° |
| C8 | N4 | C7 | C6 | 82.0° | 65.8° |
| C8 | N4 | C7 | H11 | 157.5° | 54.2° |
| C8 | N4 | C7 | H12 | 38.5° | 174.2° |
| C8 | N4 | C12 | H14 | 179.6° | 58.3° |
| C8 | N4 | C12 | H15 | 60.8° | 178.2° |
| N4 | C8 | C9 | H20 | 176.0° | 179.1° |
| N4 | C8 | C9 | H21 | 64.6° | 60.8° |
| N4 | C8 | H22 | H23 | 119.3° | 120.0° |
| N4 | C7 | C6 | H11 | 120.5° | 120.0° |
| N4 | C7 | C6 | H12 | 120.5° | 120.0° |
| N4 | C7 | C6 | N3 | 175.5° | 180.0° |
| N4 | C7 | C6 | H9 | 55.0° | 60.0° |
| N4 | C7 | C6 | H10 | 64.0° | 60.0° |
| N4 | C7 | H11 | H12 | 118.4° | 120.0° |
| C7 | N4 | C12 | H14 | 56.3° | 65.8° |
| C7 | N4 | C12 | H15 | 63.3° | 54.1° |
| C7 | N4 | C8 | H22 | 62.2° | 54.1° |
| C7 | N4 | C8 | H23 | 57.4° | 65.8° |
| C7 | C6 | N3 | H9 | 120.5° | 120.0° |
| C7 | C6 | N3 | H10 | 120.5° | 119.9° |
| C7 | C6 | N3 | C5 | 167.8° | 180.0° |
| C7 | C6 | N3 | H8 | 46.1° | 0.1° |
| C7 | C6 | H9 | H10 | 118.6° | 120.0° |
| C6 | C7 | H11 | H12 | 118.4° | 120.0° |
| C6 | N3 | C5 | H8 | 121.8° | 179.9° |
| C6 | N3 | C5 | N5 | 0.4° | 0.0° |
| C6 | N3 | C5 | N2 | 178.6° | 179.9° |
| N3 | C6 | H9 | H10 | 118.5° | 120.0° |
| N3 | C6 | C7 | H11 | 64.0° | 60.0° |
| N3 | C6 | C7 | H12 | 55.0° | 60.1° |
| N3 | C5 | N5 | N2 | 178.3° | 180.0° |
| N3 | C5 | N5 | C13 | 177.4° | 180.0° |
| N3 | C5 | N2 | C4 | 176.8° | 180.0° |
| N3 | C5 | N5 | H6 | 2.6° | 0.0° |
| C5 | N3 | C6 | H9 | 71.7° | 60.0° |
| C5 | N3 | C6 | H10 | 47.4° | 60.0° |
| C5 | N5 | C13 | H6 | 180.0° | 180.0° |
| N5 | C5 | N2 | C4 | 1.6° | 0.0° |
| C5 | N5 | C13 | C4 | 0.1° | 0.0° |
| C5 | N5 | C13 | C14 | 177.5° | 180.0° |
| N5 | C5 | N3 | H8 | 122.2° | 180.0° |
| N2 | C5 | N5 | C13 | 0.9° | 0.0° |
| C5 | N2 | C4 | C13 | 1.6° | 0.0° |
| C5 | N2 | C4 | C3 | 175.2° | 180.0° |
| N2 | C5 | N5 | H6 | 179.1° | 180.0° |
| N2 | C5 | N3 | H8 | 59.6° | 0.0° |
| N5 | C13 | C4 | N2 | 1.1° | 0.0° |
| N5 | C13 | C4 | C14 | 177.7° | 180.0° |
| N5 | C13 | C4 | C3 | 176.2° | 180.0° |
| N5 | C13 | C14 | C15 | 175.3° | 180.0° |
| N5 | C13 | C14 | H4 | 4.7° | 0.0° |
| N2 | C4 | C13 | C3 | 177.3° | 180.0° |
| N2 | C4 | C13 | C14 | 178.7° | 180.0° |
| N2 | C4 | C3 | C2 | 176.4° | 180.0° |
| N2 | C4 | C3 | H5 | 3.6° | 0.0° |
| C4 | C13 | C14 | C15 | 1.8° | 0.0° |
| C13 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C13 | C14 | H4 | 178.2° | 180.0° |
| C13 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C13 | N5 | H6 | 179.9° | 180.0° |
| C14 | C13 | C4 | C3 | 1.4° | 0.0° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | C2 | 0.8° | 0.0° |
| C13 | C14 | C15 | N6 | 174.6° | 180.0° |
| C14 | C13 | N5 | H6 | 2.5° | 0.0° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C15 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 172.2° | 180.0° |
| C14 | C15 | C2 | C3 | 0.7° | 0.0° |
| C14 | C15 | C2 | N6 | 175.4° | 180.0° |
| C14 | C15 | C2 | C1 | 172.8° | 180.0° |
| C14 | C15 | N6 | C | 172.4° | 179.7° |
| C14 | C15 | N6 | H1 | 7.6° | 0.0° |
| C3 | C2 | C15 | C1 | 173.5° | 179.9° |
| C3 | C2 | C15 | N6 | 176.0° | 180.0° |
| C3 | C2 | C1 | O | 5.7° | 0.0° |
| C3 | C2 | C1 | N1 | 173.7° | 179.7° |
| C2 | C15 | N6 | C | 2.9° | 0.3° |
| C15 | C2 | C1 | O | 179.0° | 180.0° |
| C15 | C2 | C1 | N1 | 0.4° | 0.2° |
| C2 | C15 | N6 | H1 | 177.1° | 180.0° |
| C2 | C15 | C14 | H4 | 179.2° | 180.0° |
| C15 | C2 | C3 | H5 | 178.9° | 180.0° |
| N6 | C15 | C2 | C1 | 2.6° | 0.1° |
| C15 | N6 | C | H1 | 180.0° | 179.7° |
| C15 | N6 | C | N1 | 0.9° | 0.4° |
| C15 | N6 | C | N | 179.8° | 180.0° |
| N6 | C15 | C14 | H4 | 5.4° | 0.0° |
| C2 | C1 | O | N1 | 179.4° | 179.8° |
| C2 | C1 | N1 | C | 1.7° | 0.2° |
| C1 | C2 | C3 | H5 | 7.7° | 0.1° |
| N6 | C | N1 | C1 | 1.5° | 0.1° |
| N6 | C | N1 | N | 178.9° | 179.6° |
| N6 | C | N | H2 | 178.9° | 0.1° |
| N6 | C | N | H3 | 1.1° | 180.0° |
| O | C1 | N1 | C | 178.9° | 180.0° |
| C1 | N1 | C | N | 177.4° | 179.7° |
| N1 | C | N6 | H1 | 179.1° | 180.0° |
| N1 | C | N | H2 | 0.0° | 179.7° |
| N1 | C | N | H3 | 180.0° | 0.3° |
| N | C | N6 | H1 | 0.1° | 0.4° |
| C | N | H2 | H3 | 180.0° | 180.0° |
| H8 | N3 | C6 | H9 | 166.5° | 119.9° |
| H8 | N3 | C6 | H10 | 74.4° | 120.0° |
| H9 | C6 | C7 | H11 | 175.5° | 180.0° |
| H9 | C6 | C7 | H12 | 65.5° | 60.0° |
| H10 | C6 | C7 | H11 | 56.5° | 59.9° |
| H10 | C6 | C7 | H12 | 175.5° | 180.0° |
| H14 | C12 | C11 | H16 | 57.4° | 59.1° |
| H14 | C12 | C11 | H17 | 62.1° | 179.2° |
| H15 | C12 | C11 | H16 | 176.9° | 60.8° |
| H15 | C12 | C11 | H17 | 57.5° | 59.2° |
| H16 | C11 | C10 | H18 | 173.3° | 57.7° |
| H16 | C11 | C10 | H19 | 53.6° | 62.5° |
| H17 | C11 | C10 | H18 | 53.8° | 177.8° |
| H17 | C11 | C10 | H19 | 65.8° | 57.6° |
| H18 | C10 | C9 | H20 | 53.1° | 57.7° |
| H18 | C10 | C9 | H21 | 172.5° | 177.8° |
| H19 | C10 | C9 | H20 | 66.6° | 62.5° |
| H19 | C10 | C9 | H21 | 52.8° | 57.7° |
| H20 | C9 | C8 | H22 | 55.8° | 60.8° |
| H20 | C9 | C8 | H23 | 63.7° | 59.1° |
| H21 | C9 | C8 | H22 | 175.2° | 59.3° |
| H21 | C9 | C8 | H23 | 55.7° | 179.2° |
