UYD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | O12 | sing | 1.43Å | 1.44Å | |
| C10 | N09 | sing | 1.46Å | 1.46Å | |
| C30 | C27 | sing | 1.53Å | 1.54Å | |
| N09 | C08 | sing | 1.38Å | 1.34Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.35Å | 1.37Å | Aromatic |
| C26 | N02 | sing | 1.35Å | 1.36Å | Aromatic |
| C08 | N07 | doub | 1.33Å | 1.33Å | Aromatic |
| C08 | N19 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| N07 | C06 | sing | 1.33Å | 1.34Å | Aromatic |
| N19 | C20 | doub | 1.33Å | 1.30Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.47Å | |
| N02 | N03 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | N03 | doub | 1.31Å | 1.31Å | Aromatic |
| C04 | N05 | sing | 1.40Å | 1.41Å | |
| C06 | N05 | sing | 1.38Å | 1.35Å | |
| C06 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C20 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | N21 | sing | 1.36Å | 1.45Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.45Å | Aromatic |
| N21 | N22 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | N22 | doub | 1.30Å | 1.34Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| N05 | H23 | sing | 0.97Å | 1.00Å | |
| N09 | H24 | sing | 0.97Å | 1.00Å | |
| N21 | H25 | sing | 0.97Å | 1.00Å | |
| O12 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.9° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H5 | 120.0° | 120.1° |
| C15 | C16 | H6 | 119.5° | 120.0° |
| C16 | C17 | C18 | 118.7° | 120.0° |
| C17 | C16 | H6 | 119.6° | 119.9° |
| C16 | C17 | H7 | 120.6° | 120.0° |
| C15 | C14 | C13 | 119.4° | 120.0° |
| C15 | C14 | H4 | 120.3° | 120.1° |
| C14 | C15 | H5 | 120.0° | 119.9° |
| C17 | C18 | C13 | 120.8° | 120.0° |
| C18 | C17 | H7 | 120.7° | 120.0° |
| C17 | C18 | H8 | 119.6° | 120.0° |
| C14 | C13 | C18 | 120.1° | 120.0° |
| C14 | C13 | C10 | 119.3° | 120.0° |
| C13 | C14 | H4 | 120.3° | 120.0° |
| C18 | C13 | C10 | 120.6° | 120.0° |
| C13 | C18 | H8 | 119.6° | 120.0° |
| C13 | C10 | C11 | 111.7° | 109.5° |
| C13 | C10 | N09 | 109.5° | 109.5° |
| C13 | C10 | H1 | 108.6° | 109.5° |
| C28 | C27 | C30 | 108.7° | 109.4° |
| C28 | C27 | C26 | 110.8° | 109.5° |
| C28 | C27 | C29 | 111.9° | 109.4° |
| C27 | C28 | H14 | 109.5° | 109.4° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| C27 | C28 | H16 | 109.4° | 109.5° |
| C10 | C11 | O12 | 111.4° | 109.5° |
| C11 | C10 | N09 | 109.5° | 109.5° |
| C11 | C10 | H1 | 108.2° | 109.5° |
| C10 | C11 | H2 | 109.0° | 109.5° |
| C10 | C11 | H3 | 109.0° | 109.4° |
| O12 | C11 | H2 | 109.0° | 109.5° |
| O12 | C11 | H3 | 109.0° | 109.5° |
| C11 | O12 | H26 | 109.5° | 114.0° |
| C10 | N09 | C08 | 123.7° | 120.0° |
| N09 | C10 | H1 | 109.3° | 109.4° |
| C10 | N09 | H24 | 105.8° | 120.0° |
| C30 | C27 | C26 | 108.2° | 109.5° |
| C30 | C27 | C29 | 106.5° | 109.5° |
| C27 | C30 | H20 | 109.5° | 109.5° |
| C27 | C30 | H21 | 109.4° | 109.5° |
| C27 | C30 | H22 | 109.5° | 109.5° |
| N09 | C08 | N07 | 118.6° | 118.8° |
| N09 | C08 | N19 | 117.0° | 118.8° |
| C08 | N09 | H24 | 105.8° | 120.0° |
| C26 | C27 | C29 | 110.6° | 109.5° |
| C27 | C26 | C25 | 125.2° | 126.1° |
| C27 | C26 | N02 | 128.2° | 126.1° |
| C27 | C29 | H17 | 109.5° | 109.4° |
| C27 | C29 | H18 | 109.5° | 109.5° |
| C27 | C29 | H19 | 109.5° | 109.5° |
| C25 | C26 | N02 | 106.6° | 107.9° |
| C26 | C25 | C04 | 106.5° | 107.9° |
| C26 | C25 | H13 | 126.7° | 126.0° |
| C26 | N02 | C01 | 135.2° | 125.9° |
| C26 | N02 | N03 | 109.8° | 108.1° |
| N07 | C08 | N19 | 124.4° | 122.4° |
| C08 | N07 | C06 | 120.6° | 121.1° |
| C08 | N19 | C20 | 114.3° | 120.7° |
| C25 | C04 | N03 | 110.5° | 108.0° |
| C25 | C04 | N05 | 129.6° | 126.0° |
| C04 | C25 | H13 | 126.8° | 126.1° |
| N07 | C06 | N05 | 117.0° | 120.8° |
| N07 | C06 | C24 | 118.3° | 118.5° |
| N19 | C20 | C24 | 126.4° | 118.9° |
| N19 | C20 | N21 | 124.0° | 134.6° |
| C01 | N02 | N03 | 115.0° | 126.0° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| N02 | C01 | H11 | 109.4° | 109.5° |
| N02 | C01 | H12 | 109.5° | 109.5° |
| N02 | N03 | C04 | 106.6° | 108.2° |
| N03 | C04 | N05 | 119.9° | 126.0° |
| C04 | N05 | C06 | 133.9° | 120.0° |
| C04 | N05 | H23 | 113.0° | 120.0° |
| N05 | C06 | C24 | 124.7° | 120.8° |
| C06 | N05 | H23 | 113.0° | 120.0° |
| C06 | C24 | C20 | 116.1° | 118.4° |
| C06 | C24 | C23 | 139.3° | 134.6° |
| C24 | C20 | N21 | 109.6° | 106.6° |
| C20 | C24 | C23 | 104.7° | 107.0° |
| C20 | N21 | N22 | 105.6° | 108.3° |
| C20 | N21 | H25 | 127.2° | 125.9° |
| C24 | C23 | N22 | 110.4° | 108.5° |
| C24 | C23 | H9 | 124.8° | 125.8° |
| N21 | N22 | C23 | 109.8° | 109.6° |
| N22 | N21 | H25 | 127.2° | 125.8° |
| N22 | C23 | H9 | 124.8° | 125.7° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H12 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H14 | C28 | H16 | 109.5° | 109.4° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.4° |
| H17 | C29 | H19 | 109.5° | 109.4° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.3° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C16 | C15 | C14 | H4 | 179.5° | 180.0° |
| C15 | C16 | C17 | H7 | 179.4° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.7° |
| C16 | C17 | C18 | C13 | 0.6° | 0.6° |
| C17 | C16 | C15 | H5 | 179.9° | 180.0° |
| C16 | C17 | C18 | H8 | 179.4° | 179.9° |
| C15 | C14 | C13 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 0.4° | 0.3° |
| C15 | C14 | C13 | C10 | 179.2° | 180.0° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 0.1° | 0.6° |
| C17 | C18 | C13 | H8 | 180.0° | 179.5° |
| C17 | C18 | C13 | C10 | 178.7° | 179.7° |
| C18 | C17 | C16 | H6 | 179.4° | 179.7° |
| C14 | C13 | C18 | C10 | 178.8° | 179.7° |
| C14 | C13 | C10 | C11 | 66.6° | 100.0° |
| C14 | C13 | C10 | N09 | 171.9° | 140.0° |
| C14 | C13 | C10 | H1 | 52.7° | 20.0° |
| C13 | C14 | C15 | H5 | 179.5° | 180.0° |
| C14 | C13 | C18 | H8 | 179.9° | 179.9° |
| C18 | C13 | C10 | C11 | 114.6° | 79.7° |
| C18 | C13 | C10 | N09 | 6.9° | 40.3° |
| C18 | C13 | C10 | H1 | 126.1° | 160.3° |
| C18 | C13 | C14 | H4 | 179.6° | 179.7° |
| C13 | C18 | C17 | H7 | 179.4° | 179.7° |
| C13 | C10 | C11 | N09 | 121.4° | 120.0° |
| C13 | C10 | C11 | H1 | 119.5° | 120.0° |
| C13 | C10 | C11 | O12 | 116.3° | 55.0° |
| C13 | C10 | N09 | H1 | 118.8° | 120.0° |
| C13 | C10 | N09 | C08 | 85.8° | 155.0° |
| C13 | C10 | C11 | H2 | 4.1° | 65.0° |
| C13 | C10 | C11 | H3 | 123.4° | 175.0° |
| C10 | C13 | C14 | H4 | 0.8° | 0.0° |
| C10 | C13 | C18 | H8 | 1.3° | 0.2° |
| C13 | C10 | N09 | H24 | 36.1° | 25.0° |
| C28 | C27 | C30 | C26 | 120.4° | 120.0° |
| C28 | C27 | C30 | C29 | 120.7° | 119.9° |
| C28 | C27 | C26 | C29 | 124.7° | 120.0° |
| C28 | C27 | C26 | C25 | 120.1° | 111.1° |
| C28 | C27 | C26 | N02 | 59.6° | 68.9° |
| C27 | C28 | H14 | H15 | 120.0° | 120.0° |
| C27 | C28 | H14 | H16 | 120.0° | 120.0° |
| C27 | C28 | H15 | H16 | 120.0° | 120.0° |
| C28 | C27 | C29 | H17 | 180.0° | 180.0° |
| C28 | C27 | C29 | H18 | 60.0° | 60.0° |
| C28 | C27 | C29 | H19 | 60.0° | 60.1° |
| C28 | C27 | C30 | H20 | 180.0° | 60.0° |
| C28 | C27 | C30 | H21 | 60.0° | 60.0° |
| C28 | C27 | C30 | H22 | 60.0° | 179.9° |
| C10 | C11 | O12 | H2 | 120.3° | 120.0° |
| C10 | C11 | O12 | H3 | 120.3° | 119.9° |
| C11 | C10 | N09 | H1 | 118.4° | 120.0° |
| C11 | C10 | N09 | C08 | 151.4° | 85.0° |
| C10 | C11 | H2 | H3 | 119.1° | 120.0° |
| C11 | C10 | N09 | H24 | 86.7° | 95.0° |
| C10 | C11 | O12 | H26 | 180.0° | 180.0° |
| O12 | C11 | C10 | N09 | 5.2° | 65.0° |
| O12 | C11 | C10 | H1 | 124.3° | 175.0° |
| O12 | C11 | H2 | H3 | 119.1° | 120.0° |
| C10 | N09 | C08 | H24 | 121.9° | 180.0° |
| C10 | N09 | C08 | N07 | 10.2° | 180.0° |
| C10 | N09 | C08 | N19 | 169.7° | 0.7° |
| N09 | C10 | C11 | H2 | 125.5° | 175.0° |
| N09 | C10 | C11 | H3 | 115.1° | 55.0° |
| C30 | C27 | C26 | C29 | 116.3° | 120.0° |
| C30 | C27 | C26 | C25 | 1.0° | 128.9° |
| C30 | C27 | C26 | N02 | 178.6° | 51.1° |
| C30 | C27 | C28 | H14 | 180.0° | 175.0° |
| C30 | C27 | C28 | H15 | 60.0° | 55.0° |
| C30 | C27 | C28 | H16 | 60.0° | 65.0° |
| C30 | C27 | C29 | H17 | 61.4° | 60.0° |
| C30 | C27 | C29 | H18 | 58.6° | 59.9° |
| C30 | C27 | C29 | H19 | 178.6° | 180.0° |
| C27 | C30 | H20 | H21 | 120.0° | 120.0° |
| C27 | C30 | H20 | H22 | 120.0° | 120.0° |
| C27 | C30 | H21 | H22 | 120.0° | 120.0° |
| N09 | C08 | N07 | N19 | 179.9° | 179.3° |
| N09 | C08 | N07 | C06 | 179.9° | 180.0° |
| N09 | C08 | N19 | C20 | 179.9° | 179.8° |
| C08 | N09 | C10 | H1 | 33.0° | 35.0° |
| C27 | C26 | C25 | N02 | 179.7° | 180.0° |
| C27 | C26 | C25 | C04 | 180.0° | 180.0° |
| C27 | C26 | N02 | C01 | 0.1° | 0.0° |
| C27 | C26 | N02 | N03 | 179.6° | 180.0° |
| C27 | C26 | C25 | H13 | 0.0° | 0.1° |
| C26 | C27 | C28 | H14 | 61.3° | 65.0° |
| C26 | C27 | C28 | H15 | 178.7° | 175.0° |
| C26 | C27 | C28 | H16 | 58.7° | 55.0° |
| C26 | C27 | C29 | H17 | 55.9° | 60.0° |
| C26 | C27 | C29 | H18 | 175.9° | 180.0° |
| C26 | C27 | C29 | H19 | 64.1° | 59.9° |
| C26 | C27 | C30 | H20 | 59.6° | 60.0° |
| C26 | C27 | C30 | H21 | 60.4° | 180.0° |
| C26 | C27 | C30 | H22 | 179.6° | 60.0° |
| C29 | C27 | C26 | C25 | 115.2° | 8.9° |
| C29 | C27 | C26 | N02 | 65.1° | 171.1° |
| C29 | C27 | C28 | H14 | 62.7° | 55.1° |
| C29 | C27 | C28 | H15 | 57.3° | 64.9° |
| C29 | C27 | C28 | H16 | 177.3° | 175.0° |
| C27 | C29 | H17 | H18 | 120.0° | 120.0° |
| C27 | C29 | H17 | H19 | 120.0° | 120.0° |
| C27 | C29 | H18 | H19 | 120.0° | 120.1° |
| C29 | C27 | C30 | H20 | 59.3° | 179.9° |
| C29 | C27 | C30 | H21 | 179.3° | 59.9° |
| C29 | C27 | C30 | H22 | 60.7° | 60.0° |
| C26 | C25 | C04 | H13 | 180.0° | 179.9° |
| C25 | C26 | N02 | C01 | 179.8° | 180.0° |
| C25 | C26 | N02 | N03 | 0.1° | 0.0° |
| C26 | C25 | C04 | N03 | 0.6° | 0.0° |
| C26 | C25 | C04 | N05 | 179.1° | 179.7° |
| N02 | C26 | C25 | C04 | 0.3° | 0.0° |
| C26 | N02 | C01 | N03 | 179.6° | 180.0° |
| C26 | N02 | N03 | C04 | 0.5° | 0.0° |
| C26 | N02 | C01 | H10 | 179.6° | 84.9° |
| C26 | N02 | C01 | H11 | 60.3° | 155.2° |
| C26 | N02 | C01 | H12 | 59.6° | 35.1° |
| N02 | C26 | C25 | H13 | 179.7° | 179.9° |
| N07 | C08 | N19 | C20 | 0.2° | 0.4° |
| C08 | N07 | C06 | N05 | 179.6° | 179.6° |
| C08 | N07 | C06 | C24 | 0.2° | 0.5° |
| N07 | C08 | N09 | H24 | 132.2° | 0.1° |
| N19 | C08 | N07 | C06 | 0.2° | 0.7° |
| C08 | N19 | C20 | C24 | 0.1° | 0.0° |
| C08 | N19 | C20 | N21 | 179.8° | 179.7° |
| N19 | C08 | N09 | H24 | 47.7° | 179.3° |
| C25 | C04 | N03 | N02 | 0.7° | 0.0° |
| C25 | C04 | N03 | N05 | 179.7° | 179.7° |
| C25 | C04 | N05 | C06 | 7.3° | 0.3° |
| C25 | C04 | N05 | H23 | 172.7° | 179.6° |
| N07 | C06 | N05 | C04 | 2.2° | 0.0° |
| N07 | C06 | N05 | C24 | 179.8° | 180.0° |
| N07 | C06 | C24 | C20 | 0.5° | 0.0° |
| N07 | C06 | C24 | C23 | 179.8° | 179.9° |
| N07 | C06 | N05 | H23 | 177.8° | 180.0° |
| N19 | C20 | C24 | C06 | 0.5° | 0.2° |
| N19 | C20 | C24 | N21 | 179.7° | 179.8° |
| N19 | C20 | C24 | C23 | 180.0° | 179.7° |
| N19 | C20 | N21 | N22 | 179.9° | 179.7° |
| N19 | C20 | N21 | H25 | 0.1° | 0.3° |
| C01 | N02 | N03 | C04 | 179.8° | 180.0° |
| N02 | C01 | H10 | H11 | 120.0° | 120.0° |
| N02 | C01 | H10 | H12 | 120.0° | 120.0° |
| N02 | C01 | H11 | H12 | 120.0° | 120.1° |
| N02 | N03 | C04 | N05 | 179.1° | 179.7° |
| N03 | N02 | C01 | H10 | 0.0° | 95.1° |
| N03 | N02 | C01 | H11 | 120.0° | 24.8° |
| N03 | N02 | C01 | H12 | 120.0° | 144.9° |
| N03 | C04 | N05 | C06 | 173.1° | 180.0° |
| N03 | C04 | C25 | H13 | 179.4° | 179.9° |
| N03 | C04 | N05 | H23 | 6.9° | 0.0° |
| C04 | N05 | C06 | H23 | 180.0° | 180.0° |
| C04 | N05 | C06 | C24 | 178.0° | 180.0° |
| N05 | C04 | C25 | H13 | 0.9° | 0.4° |
| N05 | C06 | C24 | C20 | 179.3° | 180.0° |
| N05 | C06 | C24 | C23 | 0.0° | 0.1° |
| C06 | C24 | C20 | C23 | 179.5° | 179.9° |
| C06 | C24 | C20 | N21 | 179.8° | 180.0° |
| C06 | C24 | C23 | N22 | 179.5° | 180.0° |
| C06 | C24 | C23 | H9 | 0.5° | 0.1° |
| C24 | C06 | N05 | H23 | 2.0° | 0.0° |
| C24 | C20 | N21 | N22 | 0.3° | 0.0° |
| C20 | C24 | C23 | N22 | 0.2° | 0.1° |
| C20 | C24 | C23 | H9 | 179.8° | 180.0° |
| C24 | C20 | N21 | H25 | 179.7° | 179.9° |
| N21 | C20 | C24 | C23 | 0.3° | 0.1° |
| C20 | N21 | N22 | H25 | 180.0° | 180.0° |
| C20 | N21 | N22 | C23 | 0.2° | 0.0° |
| C24 | C23 | N22 | N21 | 0.0° | 0.0° |
| C24 | C23 | N22 | H9 | 180.0° | 179.9° |
| N21 | N22 | C23 | H9 | 180.0° | 180.0° |
| C23 | N22 | N21 | H25 | 179.8° | 180.0° |
| H1 | C10 | C11 | H2 | 115.4° | 55.0° |
| H1 | C10 | C11 | H3 | 4.0° | 65.0° |
| H1 | C10 | N09 | H24 | 154.9° | 145.0° |
| H2 | C11 | O12 | H26 | 59.7° | 60.0° |
| H3 | C11 | O12 | H26 | 59.7° | 60.1° |
| H4 | C14 | C15 | H5 | 0.5° | 0.0° |
| H5 | C15 | C16 | H6 | 0.1° | 0.1° |
| H6 | C16 | C17 | H7 | 0.6° | 0.0° |
| H7 | C17 | C18 | H8 | 0.6° | 0.2° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H17 | C29 | H18 | H19 | 120.0° | 120.0° |
| H20 | C30 | H21 | H22 | 120.0° | 120.0° |
