29Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| O17 | C16 | doub | 1.21Å | 1.21Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | C8 | sing | 1.51Å | 1.51Å | |
| C11 | C14 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| S27 | C26 | sing | 1.76Å | 1.76Å | Aromatic |
| S27 | C19 | sing | 1.76Å | 1.76Å | Aromatic |
| N32 | C33 | doub | 1.31Å | 1.30Å | Aromatic |
| N32 | N30 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C28 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.50Å | |
| C16 | N18 | sing | 1.35Å | 1.35Å | |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.47Å | 1.47Å | |
| C26 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N30 | C29 | sing | 1.35Å | 1.35Å | Aromatic |
| C28 | C24 | sing | 1.49Å | 1.48Å | |
| C28 | C29 | doub | 1.36Å | 1.36Å | Aromatic |
| C19 | N18 | sing | 1.39Å | 1.39Å | |
| C19 | N20 | doub | 1.29Å | 1.29Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.41Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| N30 | H31 | sing | 0.97Å | 1.00Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.4° | 120.0° |
| C7 | C6 | C5 | 120.1° | 120.0° |
| C7 | C6 | H10 | 119.9° | 120.0° |
| C6 | C7 | H11 | 119.8° | 120.0° |
| C7 | C8 | C11 | 119.8° | 120.0° |
| C7 | C8 | C9 | 119.5° | 120.0° |
| C8 | C7 | H11 | 119.8° | 120.0° |
| O17 | C16 | C14 | 120.4° | 120.1° |
| O17 | C16 | N18 | 121.0° | 120.0° |
| C13 | C11 | C8 | 122.5° | 117.5° |
| C13 | C11 | C14 | 59.8° | 60.0° |
| C11 | C13 | C14 | 60.1° | 60.0° |
| C13 | C11 | H12 | 116.1° | 117.5° |
| C11 | C13 | H16 | 120.0° | 117.6° |
| C11 | C13 | H17 | 120.0° | 117.5° |
| C8 | C11 | C14 | 112.7° | 117.5° |
| C11 | C8 | C9 | 120.7° | 120.0° |
| C8 | C11 | H12 | 116.5° | 115.5° |
| C11 | C14 | C13 | 60.1° | 60.0° |
| C11 | C14 | C16 | 116.9° | 117.5° |
| C14 | C11 | H12 | 116.1° | 117.5° |
| C11 | C14 | H15 | 115.7° | 117.4° |
| C6 | C5 | C4 | 119.7° | 120.0° |
| C6 | C5 | C10 | 119.8° | 120.0° |
| C5 | C6 | H10 | 119.9° | 120.0° |
| C13 | C14 | C16 | 120.3° | 117.5° |
| C14 | C13 | H16 | 120.0° | 117.5° |
| C14 | C13 | H17 | 120.0° | 117.5° |
| C13 | C14 | H15 | 115.7° | 117.5° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C8 | C9 | H13 | 119.9° | 120.1° |
| C26 | S27 | C19 | 90.6° | 90.4° |
| S27 | C26 | C25 | 130.7° | 131.2° |
| S27 | C26 | C21 | 108.7° | 108.4° |
| S27 | C19 | N18 | 126.0° | 124.8° |
| S27 | C19 | N20 | 110.0° | 110.4° |
| C33 | N32 | N30 | 108.7° | 108.5° |
| N32 | C33 | C28 | 107.9° | 108.1° |
| N32 | C33 | H23 | 126.1° | 125.9° |
| N32 | N30 | C29 | 108.5° | 108.2° |
| N32 | N30 | H31 | 125.7° | 125.8° |
| C33 | C28 | C24 | 125.6° | 126.2° |
| C33 | C28 | C29 | 107.9° | 107.6° |
| C28 | C33 | H23 | 126.1° | 126.0° |
| C14 | C16 | N18 | 118.5° | 120.0° |
| C16 | C14 | H15 | 116.3° | 115.6° |
| C16 | N18 | C19 | 122.1° | 120.0° |
| C16 | N18 | H18 | 118.9° | 120.1° |
| C1 | N2 | C4 | 110.3° | 111.0° |
| C1 | N2 | C3 | 111.5° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.4° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C4 | C5 | C10 | 120.5° | 120.0° |
| C5 | C4 | N2 | 109.4° | 109.5° |
| C5 | C4 | H8 | 109.5° | 109.5° |
| C5 | C4 | H9 | 109.5° | 109.5° |
| C5 | C10 | C9 | 120.1° | 120.0° |
| C5 | C10 | H14 | 120.0° | 120.0° |
| C26 | C25 | C24 | 119.7° | 120.0° |
| C25 | C26 | C21 | 120.5° | 120.4° |
| C26 | C25 | H21 | 120.2° | 120.0° |
| C25 | C24 | C28 | 118.0° | 120.2° |
| C25 | C24 | C23 | 120.5° | 119.7° |
| C24 | C25 | H21 | 120.2° | 120.1° |
| C10 | C9 | H13 | 119.9° | 119.9° |
| C9 | C10 | H14 | 120.0° | 120.0° |
| C4 | N2 | C3 | 111.4° | 111.0° |
| N2 | C4 | H8 | 109.5° | 109.5° |
| N2 | C4 | H9 | 109.5° | 109.4° |
| C26 | C21 | N20 | 112.4° | 112.8° |
| C26 | C21 | C22 | 118.9° | 118.5° |
| N30 | C29 | C28 | 107.1° | 107.6° |
| N30 | C29 | H22 | 126.5° | 126.2° |
| C29 | N30 | H31 | 125.8° | 126.0° |
| C24 | C28 | C29 | 126.5° | 126.2° |
| C28 | C24 | C23 | 121.5° | 120.1° |
| C28 | C29 | H22 | 126.5° | 126.2° |
| N18 | C19 | N20 | 124.0° | 124.8° |
| C19 | N18 | H18 | 118.9° | 120.0° |
| C19 | N20 | C21 | 118.3° | 117.9° |
| N2 | C3 | H5 | 109.5° | 109.5° |
| N2 | C3 | H6 | 109.5° | 109.4° |
| N2 | C3 | H7 | 109.5° | 109.5° |
| C24 | C23 | C22 | 120.1° | 120.6° |
| C24 | C23 | H20 | 119.9° | 119.7° |
| N20 | C21 | C22 | 128.7° | 128.6° |
| C21 | C22 | C23 | 120.3° | 120.7° |
| C21 | C22 | H19 | 119.9° | 119.7° |
| C23 | C22 | H19 | 119.8° | 119.6° |
| C22 | C23 | H20 | 120.0° | 119.7° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C11 | 178.7° | 180.0° |
| C7 | C6 | C5 | H10 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.9° | 0.0° |
| C7 | C6 | C5 | C4 | 179.8° | 180.0° |
| C7 | C6 | C5 | C10 | 0.0° | 0.3° |
| C7 | C8 | C11 | C13 | 153.5° | 171.4° |
| C7 | C8 | C11 | C9 | 177.8° | 180.0° |
| C7 | C8 | C11 | C14 | 138.9° | 120.0° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C7 | C8 | C9 | C10 | 0.8° | 0.2° |
| C8 | C7 | C6 | H10 | 179.5° | 180.0° |
| C7 | C8 | C9 | H13 | 179.2° | 180.0° |
| C7 | C8 | C11 | H12 | 0.9° | 25.7° |
| O17 | C16 | C14 | C11 | 21.8° | 0.1° |
| O17 | C16 | C14 | C13 | 47.6° | 68.5° |
| O17 | C16 | C14 | N18 | 178.3° | 179.9° |
| O17 | C16 | N18 | C19 | 2.4° | 0.1° |
| O17 | C16 | C14 | H15 | 164.2° | 145.7° |
| O17 | C16 | N18 | H18 | 177.6° | 180.0° |
| C13 | C11 | C8 | C14 | 67.6° | 68.6° |
| C13 | C11 | C8 | H12 | 154.4° | 145.7° |
| C13 | C11 | C14 | H12 | 106.4° | 107.5° |
| C11 | C13 | C14 | H16 | 109.5° | 107.6° |
| C11 | C13 | C14 | H17 | 109.5° | 107.5° |
| C13 | C11 | C8 | C9 | 28.7° | 8.6° |
| C11 | C13 | C14 | C16 | 105.5° | 107.5° |
| C11 | C13 | H16 | H17 | 144.6° | 145.7° |
| C13 | C11 | C14 | H15 | 106.2° | 107.5° |
| C8 | C11 | C14 | H12 | 138.1° | 145.0° |
| C8 | C11 | C14 | C16 | 133.3° | 145.0° |
| C11 | C8 | C9 | C10 | 178.6° | 179.8° |
| C11 | C8 | C7 | H11 | 1.3° | 0.0° |
| C11 | C8 | C9 | H13 | 1.4° | 0.0° |
| C8 | C11 | C13 | H16 | 151.4° | 145.0° |
| C8 | C11 | C13 | H17 | 10.4° | 0.0° |
| C8 | C11 | C14 | H15 | 9.3° | 0.0° |
| C14 | C11 | C8 | C9 | 38.9° | 60.0° |
| C11 | C14 | C16 | H15 | 142.4° | 145.6° |
| C11 | C14 | C16 | N18 | 156.5° | 180.0° |
| C6 | C5 | C4 | C10 | 179.8° | 179.7° |
| C6 | C5 | C10 | C9 | 0.1° | 0.5° |
| C6 | C5 | C4 | N2 | 145.5° | 89.7° |
| C6 | C5 | C4 | H8 | 25.5° | 150.3° |
| C6 | C5 | C4 | H9 | 94.5° | 30.3° |
| C5 | C6 | C7 | H11 | 179.5° | 179.9° |
| C6 | C5 | C10 | H14 | 179.9° | 179.7° |
| C13 | C14 | C16 | H15 | 148.2° | 145.8° |
| C13 | C14 | C16 | N18 | 134.1° | 111.4° |
| C14 | C13 | H16 | H17 | 144.7° | 145.6° |
| C8 | C9 | C10 | C5 | 0.3° | 0.5° |
| C8 | C9 | C10 | H13 | 180.0° | 179.9° |
| C9 | C8 | C7 | H11 | 179.1° | 180.0° |
| C8 | C9 | C10 | H14 | 179.7° | 179.8° |
| C9 | C8 | C11 | H12 | 176.9° | 154.3° |
| S27 | C26 | C25 | C21 | 179.7° | 179.6° |
| S27 | C26 | C25 | C24 | 179.8° | 179.6° |
| C26 | S27 | C19 | N18 | 179.1° | 180.0° |
| C26 | S27 | C19 | N20 | 0.2° | 0.3° |
| S27 | C26 | C21 | N20 | 0.1° | 0.2° |
| S27 | C26 | C21 | C22 | 179.6° | 179.7° |
| S27 | C26 | C25 | H21 | 0.2° | 0.4° |
| S27 | C19 | N18 | C16 | 1.6° | 179.8° |
| C19 | S27 | C26 | C25 | 179.9° | 180.0° |
| C19 | S27 | C26 | C21 | 0.2° | 0.3° |
| S27 | C19 | N18 | N20 | 179.3° | 179.7° |
| S27 | C19 | N20 | C21 | 0.2° | 0.3° |
| S27 | C19 | N18 | H18 | 178.4° | 0.3° |
| N32 | C33 | C28 | H23 | 180.0° | 179.6° |
| C33 | N32 | N30 | C29 | 0.7° | 0.2° |
| N32 | C33 | C28 | C24 | 179.1° | 179.9° |
| N32 | C33 | C28 | C29 | 0.9° | 0.4° |
| C33 | N32 | N30 | H31 | 179.4° | 179.8° |
| N30 | N32 | C33 | C28 | 0.9° | 0.4° |
| N32 | N30 | C29 | H31 | 180.0° | 180.0° |
| N32 | N30 | C29 | C28 | 0.1° | 0.0° |
| N32 | N30 | C29 | H22 | 179.9° | 180.0° |
| N30 | N32 | C33 | H23 | 179.1° | 180.0° |
| C33 | C28 | C24 | C25 | 29.0° | 0.3° |
| C33 | C28 | C29 | N30 | 0.4° | 0.2° |
| C33 | C28 | C24 | C29 | 178.0° | 179.7° |
| C33 | C28 | C24 | C23 | 151.8° | 179.7° |
| C33 | C28 | C29 | H22 | 179.5° | 179.8° |
| C14 | C16 | N18 | C19 | 179.3° | 180.0° |
| C16 | C14 | C11 | H12 | 4.8° | 0.0° |
| C16 | C14 | C13 | H16 | 3.9° | 0.1° |
| C16 | C14 | C13 | H17 | 145.0° | 145.0° |
| C14 | C16 | N18 | H18 | 0.7° | 0.1° |
| C16 | N18 | C19 | H18 | 180.0° | 179.9° |
| C16 | N18 | C19 | N20 | 177.7° | 0.1° |
| N18 | C16 | C14 | H15 | 14.1° | 34.4° |
| C1 | N2 | C4 | C5 | 64.2° | 66.1° |
| C1 | N2 | C4 | C3 | 124.3° | 123.9° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.1° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H5 | 180.0° | 63.9° |
| C1 | N2 | C3 | H6 | 60.0° | 176.0° |
| C1 | N2 | C3 | H7 | 60.0° | 56.1° |
| C1 | N2 | C4 | H8 | 55.8° | 173.9° |
| C1 | N2 | C4 | H9 | 175.8° | 53.9° |
| C4 | C5 | C10 | C9 | 179.7° | 179.8° |
| C5 | C4 | N2 | H8 | 120.0° | 120.0° |
| C5 | C4 | N2 | H9 | 120.0° | 120.0° |
| C5 | C4 | N2 | C3 | 171.5° | 170.0° |
| C5 | C4 | H8 | H9 | 120.0° | 120.0° |
| C4 | C5 | C6 | H10 | 0.2° | 0.0° |
| C4 | C5 | C10 | H14 | 0.3° | 0.0° |
| C5 | C10 | C9 | H14 | 180.0° | 179.7° |
| C10 | C5 | C4 | N2 | 34.2° | 90.0° |
| C10 | C5 | C4 | H8 | 154.2° | 30.0° |
| C10 | C5 | C4 | H9 | 85.7° | 150.0° |
| C10 | C5 | C6 | H10 | 180.0° | 179.8° |
| C5 | C10 | C9 | H13 | 179.7° | 179.7° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C26 | C25 | C24 | C28 | 179.3° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C25 | C26 | C21 | N20 | 179.9° | 179.9° |
| C25 | C26 | C21 | C22 | 0.2° | 0.0° |
| C24 | C25 | C26 | C21 | 0.1° | 0.0° |
| C25 | C24 | C28 | C23 | 179.2° | 180.0° |
| C25 | C24 | C28 | C29 | 149.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C25 | C24 | C23 | H20 | 179.6° | 179.9° |
| C4 | N2 | C1 | H1 | 180.0° | 176.0° |
| C4 | N2 | C1 | H2 | 60.0° | 56.0° |
| C4 | N2 | C1 | H3 | 60.0° | 63.9° |
| C4 | N2 | C3 | H5 | 56.4° | 60.0° |
| C4 | N2 | C3 | H6 | 176.4° | 60.0° |
| C4 | N2 | C3 | H7 | 63.7° | 180.0° |
| N2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C26 | C21 | N20 | C19 | 0.1° | 0.0° |
| C26 | C21 | N20 | C22 | 179.6° | 179.9° |
| C26 | C21 | C22 | C23 | 0.6° | 0.0° |
| C26 | C21 | C22 | H19 | 179.5° | 180.0° |
| C21 | C26 | C25 | H21 | 179.9° | 180.0° |
| N30 | C29 | C28 | C24 | 178.7° | 180.0° |
| N30 | C29 | C28 | H22 | 180.0° | 179.9° |
| C28 | C24 | C23 | C22 | 179.6° | 180.0° |
| C28 | C24 | C23 | H20 | 0.4° | 0.1° |
| C28 | C24 | C25 | H21 | 0.7° | 0.0° |
| C24 | C28 | C29 | H22 | 1.3° | 0.1° |
| C24 | C28 | C33 | H23 | 0.8° | 0.2° |
| C29 | C28 | C24 | C23 | 30.3° | 0.0° |
| C28 | C29 | N30 | H31 | 179.9° | 180.0° |
| C29 | C28 | C33 | H23 | 179.1° | 180.0° |
| N18 | C19 | N20 | C21 | 179.2° | 180.0° |
| C19 | N20 | C21 | C22 | 179.7° | 179.9° |
| N20 | C19 | N18 | H18 | 2.3° | 180.0° |
| C3 | N2 | C1 | H1 | 55.7° | 60.1° |
| C3 | N2 | C1 | H2 | 175.7° | 180.0° |
| C3 | N2 | C1 | H3 | 64.2° | 60.0° |
| N2 | C3 | H5 | H6 | 120.0° | 120.0° |
| N2 | C3 | H5 | H7 | 120.0° | 120.0° |
| N2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | N2 | C4 | H8 | 68.5° | 50.0° |
| C3 | N2 | C4 | H9 | 51.5° | 70.0° |
| C24 | C23 | C22 | C21 | 0.7° | 0.0° |
| C24 | C23 | C22 | H20 | 180.0° | 179.9° |
| C24 | C23 | C22 | H19 | 179.3° | 179.9° |
| C23 | C24 | C25 | H21 | 180.0° | 180.0° |
| N20 | C21 | C22 | C23 | 179.8° | 179.9° |
| N20 | C21 | C22 | H19 | 0.2° | 0.2° |
| C21 | C22 | C23 | H19 | 180.0° | 179.9° |
| C21 | C22 | C23 | H20 | 179.3° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| H10 | C6 | C7 | H11 | 0.5° | 0.0° |
| H13 | C9 | C10 | H14 | 0.3° | 0.1° |
| H12 | C11 | C13 | H16 | 3.2° | 0.0° |
| H12 | C11 | C13 | H17 | 144.1° | 145.0° |
| H12 | C11 | C14 | H15 | 147.4° | 145.0° |
| H16 | C13 | C14 | H15 | 144.4° | 145.0° |
| H17 | C13 | C14 | H15 | 3.4° | 0.1° |
| H19 | C22 | C23 | H20 | 0.7° | 0.1° |
| H22 | C29 | N30 | H31 | 0.1° | 0.1° |
