UJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C20 | doub | 1.33Å | 1.55Å | |
| C20 | C19 | sing | 1.47Å | 1.56Å | |
| O21 | C19 | doub | 1.22Å | 1.20Å | |
| C19 | N11 | sing | 1.35Å | 1.51Å | |
| C23 | C18 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| N11 | C18 | sing | 1.46Å | 1.53Å | |
| N11 | C09 | sing | 1.46Å | 1.50Å | |
| O22 | C10 | doub | 1.21Å | 1.19Å | |
| C18 | C24 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | N12 | sing | 1.35Å | 1.48Å | |
| C09 | C03 | sing | 1.51Å | 1.55Å | |
| C14 | C13 | sing | 1.54Å | 1.32Å | |
| C14 | C15 | sing | 1.55Å | 1.62Å | |
| C13 | N12 | sing | 1.47Å | 1.49Å | |
| C13 | C17 | sing | 1.54Å | 1.68Å | |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.54Å | 1.36Å | |
| C15 | C16 | sing | 1.55Å | 1.57Å | |
| C02 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | F07 | sing | 1.35Å | 1.37Å | |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | F08 | sing | 1.35Å | 1.37Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C20 | C19 | 116.1° | 120.0° |
| C25 | C20 | H7 | 121.9° | 120.0° |
| C20 | C25 | H22 | 120.0° | 120.0° |
| C20 | C25 | H24 | 120.0° | 120.1° |
| C20 | C19 | O21 | 115.7° | 120.0° |
| C20 | C19 | N11 | 125.2° | 120.0° |
| C19 | C20 | H7 | 121.9° | 120.0° |
| O21 | C19 | N11 | 119.0° | 120.0° |
| C19 | N11 | C18 | 119.7° | 120.0° |
| C19 | N11 | C09 | 115.0° | 120.0° |
| C18 | C23 | C24 | 60.3° | 60.0° |
| C23 | C18 | N11 | 117.7° | 117.6° |
| C23 | C18 | C24 | 59.4° | 60.0° |
| C23 | C18 | H19 | 113.5° | 117.5° |
| C18 | C23 | H20 | 119.9° | 117.5° |
| C18 | C23 | H21 | 119.9° | 117.5° |
| C23 | C24 | C18 | 60.4° | 60.0° |
| C23 | C24 | H9 | 120.0° | 117.5° |
| C23 | C24 | H10 | 119.9° | 117.5° |
| C24 | C23 | H20 | 120.0° | 117.5° |
| C24 | C23 | H21 | 120.0° | 117.5° |
| C18 | N11 | C09 | 125.2° | 120.0° |
| N11 | C18 | C24 | 127.3° | 117.5° |
| N11 | C18 | H19 | 113.8° | 115.5° |
| N11 | C09 | C10 | 111.1° | 109.5° |
| N11 | C09 | C03 | 115.3° | 109.5° |
| N11 | C09 | H14 | 106.4° | 109.5° |
| O22 | C10 | C09 | 120.7° | 119.9° |
| O22 | C10 | N12 | 120.2° | 120.1° |
| C18 | C24 | H9 | 119.9° | 117.5° |
| C18 | C24 | H10 | 119.9° | 117.5° |
| C24 | C18 | H19 | 113.6° | 117.5° |
| C09 | C10 | N12 | 119.1° | 120.0° |
| C10 | C09 | C03 | 111.3° | 109.4° |
| C10 | C09 | H14 | 106.1° | 109.5° |
| C10 | N12 | C13 | 119.7° | 120.0° |
| C10 | N12 | H1 | 120.1° | 120.0° |
| C09 | C03 | C02 | 120.8° | 120.0° |
| C09 | C03 | C04 | 119.9° | 119.9° |
| C03 | C09 | H14 | 105.9° | 109.4° |
| C13 | C14 | C15 | 105.3° | 104.2° |
| C14 | C13 | N12 | 108.5° | 110.0° |
| C14 | C13 | C17 | 107.8° | 106.6° |
| C14 | C13 | H2 | 112.3° | 110.1° |
| C13 | C14 | H15 | 110.5° | 110.5° |
| C13 | C14 | H16 | 110.5° | 110.5° |
| C14 | C15 | C16 | 106.0° | 102.7° |
| C14 | C15 | H3 | 110.3° | 110.7° |
| C14 | C15 | H4 | 110.3° | 110.9° |
| C15 | C14 | H15 | 110.5° | 110.5° |
| C15 | C14 | H16 | 110.5° | 110.4° |
| N12 | C13 | C17 | 111.2° | 110.0° |
| C13 | N12 | H1 | 120.2° | 120.0° |
| N12 | C13 | H2 | 109.7° | 110.0° |
| C13 | C17 | C16 | 108.6° | 106.6° |
| C17 | C13 | H2 | 107.4° | 110.0° |
| C13 | C17 | H5 | 109.7° | 110.0° |
| C13 | C17 | H6 | 109.7° | 110.0° |
| C02 | C03 | C04 | 119.3° | 120.0° |
| C03 | C02 | C01 | 120.2° | 120.1° |
| C03 | C02 | H11 | 119.9° | 119.9° |
| C03 | C04 | C05 | 119.7° | 120.0° |
| C03 | C04 | H12 | 120.1° | 120.0° |
| C17 | C16 | C15 | 106.7° | 104.2° |
| C16 | C17 | H5 | 109.7° | 110.0° |
| C16 | C17 | H6 | 109.7° | 110.1° |
| C17 | C16 | H17 | 110.2° | 110.5° |
| C17 | C16 | H18 | 110.2° | 110.5° |
| C16 | C15 | H3 | 110.3° | 110.8° |
| C16 | C15 | H4 | 110.3° | 110.8° |
| C15 | C16 | H17 | 110.2° | 110.5° |
| C15 | C16 | H18 | 110.2° | 110.5° |
| C02 | C01 | F07 | 121.3° | 120.0° |
| C02 | C01 | C06 | 120.3° | 120.0° |
| C01 | C02 | H11 | 119.9° | 120.0° |
| C04 | C05 | C06 | 120.6° | 120.0° |
| C04 | C05 | F08 | 122.0° | 120.0° |
| C05 | C04 | H12 | 120.1° | 120.0° |
| F07 | C01 | C06 | 118.4° | 120.0° |
| C01 | C06 | C05 | 119.8° | 119.9° |
| C01 | C06 | H13 | 120.1° | 120.0° |
| C06 | C05 | F08 | 117.4° | 120.0° |
| C05 | C06 | H13 | 120.1° | 120.1° |
| H3 | C15 | H4 | 109.5° | 110.7° |
| H5 | C17 | H6 | 109.4° | 110.0° |
| H9 | C24 | H10 | 109.5° | 115.6° |
| H15 | C14 | H16 | 109.5° | 110.5° |
| H17 | C16 | H18 | 109.5° | 110.5° |
| H20 | C23 | H21 | 109.5° | 115.6° |
| H22 | C25 | H24 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C20 | C19 | H7 | 180.0° | 180.0° |
| C25 | C20 | C19 | O21 | 126.4° | 5.0° |
| C25 | C20 | C19 | N11 | 54.7° | 175.0° |
| C20 | C25 | H22 | H24 | 180.0° | 179.9° |
| C20 | C19 | O21 | N11 | 179.0° | 180.0° |
| C20 | C19 | N11 | C18 | 2.6° | 176.1° |
| C20 | C19 | N11 | C09 | 179.9° | 3.9° |
| C19 | C20 | C25 | H22 | 180.0° | 0.0° |
| C19 | C20 | C25 | H24 | 0.0° | 180.0° |
| O21 | C19 | N11 | C18 | 178.5° | 3.9° |
| O21 | C19 | N11 | C09 | 1.2° | 176.1° |
| O21 | C19 | C20 | H7 | 53.6° | 175.0° |
| C19 | N11 | C18 | C23 | 65.2° | 17.0° |
| C19 | N11 | C18 | C09 | 177.0° | 180.0° |
| C19 | N11 | C18 | C24 | 136.4° | 51.6° |
| C19 | N11 | C09 | C10 | 78.9° | 126.1° |
| C19 | N11 | C09 | C03 | 153.2° | 113.9° |
| N11 | C19 | C20 | H7 | 125.3° | 5.0° |
| C19 | N11 | C09 | H14 | 36.1° | 6.0° |
| C19 | N11 | C18 | H19 | 71.2° | 162.7° |
| C18 | C23 | C24 | H20 | 109.5° | 107.5° |
| C18 | C23 | C24 | H21 | 109.5° | 107.5° |
| C23 | C18 | N11 | C24 | 71.2° | 68.6° |
| C23 | C18 | N11 | H19 | 136.5° | 145.7° |
| C23 | C18 | N11 | C09 | 117.7° | 163.0° |
| C23 | C18 | C24 | H19 | 104.4° | 107.5° |
| C18 | C23 | C24 | H9 | 109.5° | 107.5° |
| C18 | C23 | C24 | H10 | 109.6° | 107.5° |
| C18 | C23 | H20 | H21 | 144.6° | 145.7° |
| C23 | C24 | H9 | H10 | 144.6° | 145.7° |
| C24 | C23 | H20 | H21 | 144.6° | 145.7° |
| N11 | C18 | C24 | H19 | 152.4° | 145.0° |
| C18 | N11 | C09 | C10 | 98.2° | 53.9° |
| C18 | N11 | C09 | C03 | 29.6° | 66.1° |
| N11 | C18 | C24 | H9 | 147.2° | 0.0° |
| N11 | C18 | C24 | H10 | 6.4° | 144.9° |
| C18 | N11 | C09 | H14 | 146.7° | 173.9° |
| N11 | C18 | C23 | H20 | 131.4° | 0.0° |
| N11 | C18 | C23 | H21 | 9.5° | 145.1° |
| N11 | C09 | C10 | O22 | 9.6° | 0.2° |
| C09 | N11 | C18 | C24 | 46.6° | 128.4° |
| N11 | C09 | C10 | C03 | 130.0° | 120.0° |
| N11 | C09 | C10 | H14 | 115.2° | 120.1° |
| N11 | C09 | C10 | N12 | 169.6° | 180.0° |
| N11 | C09 | C03 | H14 | 117.4° | 120.0° |
| N11 | C09 | C03 | C02 | 81.9° | 125.2° |
| N11 | C09 | C03 | C04 | 96.9° | 54.7° |
| C09 | N11 | C18 | H19 | 105.8° | 17.3° |
| O22 | C10 | C09 | N12 | 179.3° | 179.8° |
| O22 | C10 | C09 | C03 | 120.4° | 119.8° |
| O22 | C10 | N12 | C13 | 0.1° | 0.2° |
| O22 | C10 | N12 | H1 | 179.9° | 179.7° |
| O22 | C10 | C09 | H14 | 124.9° | 120.3° |
| C18 | C24 | H9 | H10 | 144.5° | 145.6° |
| C10 | C09 | C03 | H14 | 114.9° | 120.0° |
| C09 | C10 | N12 | C13 | 179.2° | 180.0° |
| C10 | C09 | C03 | C02 | 45.9° | 114.7° |
| C10 | C09 | C03 | C04 | 135.3° | 65.3° |
| C09 | C10 | N12 | H1 | 0.8° | 0.1° |
| N12 | C10 | C09 | C03 | 60.3° | 60.0° |
| C10 | N12 | C13 | C14 | 130.4° | 87.9° |
| C10 | N12 | C13 | H1 | 180.0° | 179.9° |
| C10 | N12 | C13 | C17 | 111.3° | 155.0° |
| C10 | N12 | C13 | H2 | 7.4° | 33.6° |
| N12 | C10 | C09 | H14 | 54.4° | 59.9° |
| C09 | C03 | C02 | C04 | 178.8° | 179.9° |
| C09 | C03 | C02 | C01 | 177.3° | 180.0° |
| C09 | C03 | C04 | C05 | 177.8° | 180.0° |
| C09 | C03 | C02 | H11 | 2.7° | 0.0° |
| C09 | C03 | C04 | H12 | 2.1° | 0.1° |
| C13 | C14 | C15 | H15 | 119.3° | 118.8° |
| C13 | C14 | C15 | H16 | 119.3° | 118.7° |
| C14 | C13 | N12 | C17 | 118.3° | 117.2° |
| C14 | C13 | N12 | H2 | 123.0° | 121.4° |
| C14 | C13 | C17 | H2 | 121.2° | 119.4° |
| C14 | C13 | C17 | C16 | 18.4° | 0.0° |
| C13 | C14 | C15 | C16 | 22.5° | 37.9° |
| C14 | C13 | N12 | H1 | 49.6° | 92.2° |
| C13 | C14 | C15 | H3 | 97.0° | 156.3° |
| C13 | C14 | C15 | H4 | 141.9° | 80.4° |
| C14 | C13 | C17 | H5 | 101.4° | 119.3° |
| C14 | C13 | C17 | H6 | 138.3° | 119.3° |
| C13 | C14 | H15 | H16 | 122.0° | 122.6° |
| C15 | C14 | C13 | N12 | 97.0° | 142.9° |
| C15 | C14 | C13 | C17 | 23.5° | 23.6° |
| C14 | C15 | C16 | C17 | 10.5° | 37.9° |
| C14 | C15 | C16 | H3 | 119.4° | 118.3° |
| C14 | C15 | C16 | H4 | 119.4° | 118.5° |
| C15 | C14 | C13 | H2 | 141.6° | 95.7° |
| C14 | C15 | H3 | H4 | 121.6° | 123.4° |
| C15 | C14 | H15 | H16 | 121.9° | 122.5° |
| C14 | C15 | C16 | H17 | 109.1° | 80.7° |
| C14 | C15 | C16 | H18 | 130.0° | 156.6° |
| N12 | C13 | C17 | H2 | 120.0° | 121.4° |
| N12 | C13 | C17 | C16 | 100.3° | 119.3° |
| N12 | C13 | C17 | H5 | 139.8° | 121.4° |
| N12 | C13 | C17 | H6 | 19.6° | 0.0° |
| N12 | C13 | C14 | H15 | 22.4° | 24.2° |
| N12 | C13 | C14 | H16 | 143.7° | 98.5° |
| C13 | C17 | C16 | H5 | 119.9° | 119.3° |
| C13 | C17 | C16 | H6 | 119.9° | 119.3° |
| C13 | C17 | C16 | C15 | 2.8° | 23.6° |
| C17 | C13 | N12 | H1 | 68.7° | 25.0° |
| C13 | C17 | H5 | H6 | 120.4° | 121.4° |
| C17 | C13 | C14 | H15 | 142.9° | 95.1° |
| C17 | C13 | C14 | H16 | 95.8° | 142.3° |
| C13 | C17 | C16 | H17 | 122.4° | 95.1° |
| C13 | C17 | C16 | H18 | 116.7° | 142.3° |
| C03 | C02 | C01 | H11 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 1.0° | 0.1° |
| C03 | C02 | C01 | F07 | 179.0° | 180.0° |
| C03 | C02 | C01 | C06 | 1.2° | 0.3° |
| C02 | C03 | C04 | H12 | 179.1° | 180.0° |
| C02 | C03 | C09 | H14 | 160.8° | 5.2° |
| C04 | C03 | C02 | C01 | 1.5° | 0.1° |
| C03 | C04 | C05 | H12 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.3° |
| C03 | C04 | C05 | F08 | 179.7° | 180.0° |
| C04 | C03 | C02 | H11 | 178.5° | 180.0° |
| C04 | C03 | C09 | H14 | 20.5° | 174.7° |
| C17 | C16 | C15 | H17 | 119.6° | 118.7° |
| C17 | C16 | C15 | H18 | 119.5° | 118.7° |
| C16 | C17 | C13 | H2 | 139.7° | 119.3° |
| C17 | C16 | C15 | H3 | 109.0° | 156.2° |
| C17 | C16 | C15 | H4 | 129.9° | 80.5° |
| C16 | C17 | H5 | H6 | 120.4° | 121.5° |
| C17 | C16 | H17 | H18 | 121.3° | 122.6° |
| C16 | C15 | H3 | H4 | 121.6° | 123.3° |
| C15 | C16 | C17 | H5 | 117.1° | 95.7° |
| C15 | C16 | C17 | H6 | 122.7° | 142.9° |
| C16 | C15 | C14 | H15 | 141.8° | 80.8° |
| C16 | C15 | C14 | H16 | 96.8° | 156.6° |
| C15 | C16 | H17 | H18 | 121.3° | 122.6° |
| C02 | C01 | F07 | C06 | 179.8° | 179.7° |
| C02 | C01 | C06 | C05 | 0.3° | 0.5° |
| C02 | C01 | C06 | H13 | 179.7° | 179.7° |
| C04 | C05 | C06 | C01 | 0.2° | 0.5° |
| C04 | C05 | C06 | F08 | 179.6° | 179.7° |
| C04 | C05 | C06 | H13 | 179.8° | 179.7° |
| F07 | C01 | C06 | C05 | 179.9° | 179.8° |
| F07 | C01 | C02 | H11 | 1.0° | 0.1° |
| F07 | C01 | C06 | H13 | 0.1° | 0.0° |
| C01 | C06 | C05 | H13 | 180.0° | 179.8° |
| C01 | C06 | C05 | F08 | 179.4° | 179.8° |
| C06 | C01 | C02 | H11 | 178.8° | 179.8° |
| C06 | C05 | C04 | H12 | 179.9° | 179.8° |
| F08 | C05 | C04 | H12 | 0.3° | 0.1° |
| F08 | C05 | C06 | H13 | 0.6° | 0.0° |
| H1 | N12 | C13 | H2 | 172.6° | 146.4° |
| H2 | C13 | C17 | H5 | 19.8° | 0.1° |
| H2 | C13 | C17 | H6 | 100.5° | 121.3° |
| H2 | C13 | C14 | H15 | 99.0° | 145.6° |
| H2 | C13 | C14 | H16 | 22.3° | 22.9° |
| H3 | C15 | C14 | H15 | 22.4° | 37.5° |
| H3 | C15 | C14 | H16 | 143.7° | 85.1° |
| H3 | C15 | C16 | H17 | 131.4° | 37.6° |
| H3 | C15 | C16 | H18 | 10.6° | 85.1° |
| H4 | C15 | C14 | H15 | 98.7° | 160.8° |
| H4 | C15 | C14 | H16 | 22.6° | 38.2° |
| H4 | C15 | C16 | H17 | 10.3° | 160.8° |
| H4 | C15 | C16 | H18 | 110.6° | 38.2° |
| H5 | C17 | C16 | H17 | 2.5° | 145.7° |
| H5 | C17 | C16 | H18 | 123.4° | 23.0° |
| H6 | C17 | C16 | H17 | 117.7° | 24.2° |
| H6 | C17 | C16 | H18 | 3.2° | 98.4° |
| H7 | C20 | C25 | H22 | 0.0° | 180.0° |
| H7 | C20 | C25 | H24 | 180.0° | 0.0° |
| H9 | C24 | C18 | H19 | 5.2° | 145.0° |
| H9 | C24 | C23 | H20 | 0.0° | 0.0° |
| H9 | C24 | C23 | H21 | 140.9° | 145.0° |
| H10 | C24 | C18 | H19 | 146.1° | 0.1° |
| H10 | C24 | C23 | H20 | 140.9° | 145.0° |
| H10 | C24 | C23 | H21 | 0.0° | 0.0° |
| H19 | C18 | C23 | H20 | 5.1° | 145.1° |
| H19 | C18 | C23 | H21 | 146.0° | 0.0° |
