9UL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.54Å | 1.33Å | |
| C04 | C05 | sing | 1.55Å | 1.55Å | |
| C03 | N02 | sing | 1.47Å | 1.63Å | |
| C05 | C06 | sing | 1.51Å | 1.60Å | |
| N02 | C01 | sing | 1.46Å | 1.49Å | |
| N02 | C06 | sing | 1.35Å | 1.34Å | |
| C06 | C07 | doub | 1.38Å | 1.34Å | |
| C07 | C11 | sing | 1.48Å | 1.40Å | |
| C07 | C08 | sing | 1.42Å | 1.38Å | |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| C08 | N09 | doub | 1.31Å | 1.33Å | |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N09 | sing | 1.35Å | 1.37Å | |
| C10 | C15 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 107.7° | 101.8° |
| C04 | C03 | N02 | 109.0° | 105.5° |
| C04 | C03 | H8 | 109.6° | 110.2° |
| C03 | C04 | H9 | 109.9° | 111.0° |
| C03 | C04 | H14 | 109.9° | 111.0° |
| C04 | C03 | H15 | 109.6° | 110.3° |
| C04 | C05 | C06 | 107.4° | 104.1° |
| C05 | C04 | H9 | 109.9° | 110.9° |
| C04 | C05 | H10 | 110.0° | 110.5° |
| C04 | C05 | H13 | 110.0° | 110.5° |
| C05 | C04 | H14 | 109.9° | 110.9° |
| C03 | N02 | C01 | 122.6° | 124.4° |
| C03 | N02 | C06 | 110.8° | 111.2° |
| N02 | C03 | H8 | 109.6° | 110.2° |
| N02 | C03 | H15 | 109.6° | 110.2° |
| C05 | C06 | N02 | 104.9° | 110.1° |
| C05 | C06 | C07 | 125.8° | 124.9° |
| C06 | C05 | H10 | 110.0° | 110.7° |
| C06 | C05 | H13 | 110.0° | 110.4° |
| C01 | N02 | C06 | 126.6° | 124.4° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C01 | H7 | 109.5° | 109.5° |
| N02 | C06 | C07 | 129.0° | 125.0° |
| C06 | C07 | C11 | 126.9° | 127.6° |
| C06 | C07 | C08 | 126.3° | 127.6° |
| C11 | C07 | C08 | 106.8° | 104.9° |
| C07 | C11 | C12 | 135.3° | 134.5° |
| C07 | C11 | C10 | 105.5° | 105.2° |
| C07 | C08 | N09 | 110.4° | 109.4° |
| C07 | C08 | H11 | 124.8° | 125.3° |
| C11 | C12 | C13 | 120.5° | 119.7° |
| C12 | C11 | C10 | 119.2° | 120.4° |
| C11 | C12 | H1 | 119.7° | 120.2° |
| C12 | C13 | C14 | 120.0° | 120.4° |
| C13 | C12 | H1 | 119.8° | 120.1° |
| C12 | C13 | H2 | 120.0° | 119.9° |
| C11 | C10 | N09 | 110.1° | 108.2° |
| C11 | C10 | C15 | 120.0° | 118.9° |
| C08 | N09 | C10 | 107.2° | 112.3° |
| N09 | C08 | H11 | 124.8° | 125.3° |
| C13 | C14 | C15 | 119.4° | 120.8° |
| C14 | C13 | H2 | 120.0° | 119.8° |
| C13 | C14 | H3 | 120.3° | 119.6° |
| N09 | C10 | C15 | 129.9° | 132.9° |
| C10 | C15 | C14 | 120.8° | 119.9° |
| C10 | C15 | H4 | 119.6° | 120.1° |
| C15 | C14 | H3 | 120.3° | 119.6° |
| C14 | C15 | H4 | 119.6° | 120.0° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H8 | C03 | H15 | 109.5° | 110.2° |
| H9 | C04 | H14 | 109.5° | 110.9° |
| H10 | C05 | H13 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H9 | 119.7° | 118.1° |
| C03 | C04 | C05 | H14 | 119.7° | 118.2° |
| C04 | C03 | N02 | H8 | 119.9° | 119.0° |
| C04 | C03 | N02 | H15 | 119.9° | 119.1° |
| C03 | C04 | C05 | C06 | 4.8° | 25.0° |
| C04 | C03 | N02 | C01 | 175.3° | 163.0° |
| C04 | C03 | N02 | C06 | 3.1° | 16.8° |
| C04 | C03 | H8 | H15 | 120.3° | 122.0° |
| C03 | C04 | H9 | H14 | 120.8° | 123.9° |
| C03 | C04 | C05 | H10 | 114.9° | 93.8° |
| C03 | C04 | C05 | H13 | 124.5° | 143.5° |
| C05 | C04 | C03 | N02 | 4.7° | 25.5° |
| C04 | C05 | C06 | H10 | 119.7° | 118.7° |
| C04 | C05 | C06 | H13 | 119.7° | 118.6° |
| C04 | C05 | C06 | N02 | 2.7° | 16.6° |
| C04 | C05 | C06 | C07 | 177.8° | 163.5° |
| C05 | C04 | C03 | H8 | 124.6° | 93.5° |
| C05 | C04 | H9 | H14 | 120.8° | 123.7° |
| C04 | C05 | H10 | H13 | 121.0° | 122.6° |
| C05 | C04 | C03 | H15 | 115.2° | 144.5° |
| C03 | N02 | C06 | C05 | 0.0° | 0.0° |
| C03 | N02 | C01 | C06 | 178.1° | 179.7° |
| C03 | N02 | C06 | C07 | 174.9° | 179.9° |
| C03 | N02 | C01 | H5 | 180.0° | 124.6° |
| C03 | N02 | C01 | H6 | 60.0° | 4.7° |
| C03 | N02 | C01 | H7 | 60.0° | 115.3° |
| N02 | C03 | H8 | H15 | 120.2° | 121.9° |
| N02 | C03 | C04 | H9 | 124.4° | 143.6° |
| N02 | C03 | C04 | H14 | 115.1° | 92.6° |
| C05 | C06 | N02 | C01 | 178.4° | 179.8° |
| C05 | C06 | N02 | C07 | 174.9° | 179.9° |
| C05 | C06 | C07 | C11 | 24.2° | 5.7° |
| C05 | C06 | C07 | C08 | 155.9° | 174.3° |
| C06 | C05 | C04 | H9 | 124.5° | 143.2° |
| C06 | C05 | H10 | H13 | 120.9° | 122.6° |
| C06 | C05 | C04 | H14 | 114.9° | 93.1° |
| C01 | N02 | C06 | C07 | 6.8° | 0.4° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H7 | 120.0° | 120.0° |
| N02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | N02 | C03 | H8 | 55.3° | 78.0° |
| C01 | N02 | C03 | H15 | 64.8° | 43.9° |
| N02 | C06 | C07 | C11 | 161.9° | 174.4° |
| N02 | C06 | C07 | C08 | 18.0° | 5.6° |
| C06 | N02 | C01 | H5 | 1.9° | 55.1° |
| C06 | N02 | C01 | H6 | 118.1° | 175.1° |
| C06 | N02 | C01 | H7 | 121.9° | 64.9° |
| C06 | N02 | C03 | H8 | 123.1° | 102.2° |
| N02 | C06 | C05 | H10 | 116.9° | 102.1° |
| N02 | C06 | C05 | H13 | 122.4° | 135.2° |
| C06 | N02 | C03 | H15 | 116.8° | 135.9° |
| C06 | C07 | C11 | C08 | 179.9° | 180.0° |
| C06 | C07 | C11 | C12 | 1.1° | 0.0° |
| C06 | C07 | C11 | C10 | 179.5° | 180.0° |
| C06 | C07 | C08 | N09 | 179.0° | 180.0° |
| C07 | C06 | C05 | H10 | 58.2° | 77.8° |
| C06 | C07 | C08 | H11 | 1.0° | 0.0° |
| C07 | C06 | C05 | H13 | 62.5° | 44.9° |
| C07 | C11 | C12 | C10 | 179.4° | 180.0° |
| C07 | C11 | C12 | C13 | 178.8° | 180.0° |
| C11 | C07 | C08 | N09 | 0.9° | 0.0° |
| C07 | C11 | C10 | N09 | 0.1° | 0.0° |
| C07 | C11 | C10 | C15 | 177.8° | 179.8° |
| C07 | C11 | C12 | H1 | 1.1° | 0.1° |
| C11 | C07 | C08 | H11 | 179.1° | 180.0° |
| C08 | C07 | C11 | C12 | 179.0° | 180.0° |
| C08 | C07 | C11 | C10 | 0.4° | 0.0° |
| C07 | C08 | N09 | H11 | 180.0° | 180.0° |
| C07 | C08 | N09 | C10 | 1.0° | 0.1° |
| C11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C12 | C11 | C10 | N09 | 179.7° | 180.0° |
| C12 | C11 | C10 | C15 | 1.8° | 0.2° |
| C11 | C12 | C13 | H2 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C12 | C13 | C14 | H3 | 179.7° | 180.0° |
| C11 | C10 | N09 | C08 | 0.7° | 0.1° |
| C11 | C10 | N09 | C15 | 177.6° | 179.8° |
| C11 | C10 | C15 | C14 | 2.1° | 0.5° |
| C10 | C11 | C12 | H1 | 179.4° | 180.0° |
| C11 | C10 | C15 | H4 | 177.9° | 179.7° |
| C08 | N09 | C10 | C15 | 176.9° | 179.7° |
| C13 | C14 | C15 | C10 | 1.0° | 0.5° |
| C13 | C14 | C15 | H3 | 180.0° | 179.7° |
| C14 | C13 | C12 | H1 | 179.5° | 179.9° |
| C13 | C14 | C15 | H4 | 179.0° | 179.6° |
| N09 | C10 | C15 | C14 | 179.5° | 179.7° |
| N09 | C10 | C15 | H4 | 0.5° | 0.1° |
| C10 | N09 | C08 | H11 | 179.0° | 180.0° |
| C10 | C15 | C14 | H4 | 180.0° | 179.8° |
| C10 | C15 | C14 | H3 | 179.0° | 179.8° |
| C15 | C14 | C13 | H2 | 179.7° | 179.7° |
| H1 | C12 | C13 | H2 | 0.5° | 0.1° |
| H2 | C13 | C14 | H3 | 0.3° | 0.0° |
| H3 | C14 | C15 | H4 | 1.0° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H8 | C03 | C04 | H9 | 115.7° | 24.5° |
| H8 | C03 | C04 | H14 | 4.9° | 148.3° |
| H9 | C04 | C05 | H10 | 4.8° | 24.3° |
| H9 | C04 | C05 | H13 | 115.8° | 98.3° |
| H9 | C04 | C03 | H15 | 4.5° | 97.4° |
| H10 | C05 | C04 | H14 | 125.4° | 148.0° |
| H13 | C05 | C04 | H14 | 4.7° | 25.3° |
| H14 | C04 | C03 | H15 | 125.0° | 26.4° |
