ULN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| O04 | C03 | doub | 1.22Å | 1.23Å | |
| N02 | C03 | sing | 1.35Å | 1.33Å | |
| C03 | C05 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C09 | doub | 1.31Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.54Å | 1.52Å | |
| C26 | O25 | sing | 1.44Å | 1.43Å | |
| C07 | C19 | sing | 1.48Å | 1.50Å | |
| C07 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C27 | C22 | sing | 1.53Å | 1.50Å | |
| C27 | C23 | sing | 1.55Å | 1.50Å | |
| N21 | C19 | sing | 1.35Å | 1.34Å | |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.51Å | 1.49Å | |
| C19 | O20 | doub | 1.22Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C11 | C13 | sing | 1.51Å | 1.52Å | |
| O25 | C24 | sing | 1.44Å | 1.43Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| N02 | H11 | sing | 0.97Å | 1.00Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 122.0° | 120.0° |
| N02 | C01 | H8 | 109.5° | 109.4° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| C01 | N02 | H11 | 119.0° | 120.0° |
| O04 | C03 | N02 | 122.9° | 120.0° |
| O04 | C03 | C05 | 121.3° | 120.0° |
| N02 | C03 | C05 | 115.7° | 120.0° |
| C03 | N02 | H11 | 119.0° | 120.0° |
| C03 | C05 | C06 | 119.4° | 119.7° |
| C03 | C05 | N10 | 117.7° | 119.7° |
| C06 | C05 | N10 | 122.9° | 120.6° |
| C05 | C06 | C07 | 118.2° | 118.9° |
| C05 | C06 | H12 | 120.9° | 120.5° |
| C05 | N10 | C09 | 118.8° | 122.0° |
| C06 | C07 | C19 | 122.6° | 120.9° |
| C06 | C07 | C08 | 119.2° | 118.2° |
| C07 | C06 | H12 | 120.9° | 120.6° |
| N10 | C09 | C08 | 122.1° | 121.0° |
| N10 | C09 | C11 | 118.6° | 119.5° |
| C27 | C26 | O25 | 105.5° | 104.8° |
| C26 | C27 | C22 | 120.5° | 118.1° |
| C26 | C27 | C23 | 105.2° | 104.0° |
| C27 | C26 | H6 | 110.5° | 110.4° |
| C27 | C26 | H7 | 110.4° | 110.4° |
| C26 | C27 | H23 | 118.1° | 117.9° |
| C26 | O25 | C24 | 107.1° | 105.3° |
| O25 | C26 | H6 | 110.4° | 110.4° |
| O25 | C26 | H7 | 110.5° | 110.3° |
| C19 | C07 | C08 | 118.1° | 120.9° |
| C07 | C19 | N21 | 117.8° | 120.0° |
| C07 | C19 | O20 | 120.6° | 120.0° |
| C07 | C08 | C09 | 118.8° | 119.2° |
| C07 | C08 | H13 | 120.6° | 120.4° |
| C12 | C11 | C09 | 117.3° | 109.4° |
| C12 | C11 | C13 | 112.1° | 109.5° |
| C12 | C11 | H14 | 105.0° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.4° |
| C11 | C12 | H17 | 109.4° | 109.5° |
| C22 | C27 | C23 | 60.0° | 59.6° |
| C27 | C22 | N21 | 116.8° | 117.4° |
| C27 | C22 | C23 | 60.2° | 60.7° |
| C27 | C22 | H3 | 116.0° | 117.4° |
| C22 | C27 | H23 | 118.7° | 119.8° |
| C27 | C23 | C22 | 59.8° | 59.7° |
| C27 | C23 | C24 | 105.1° | 104.1° |
| C27 | C23 | H22 | 118.8° | 123.2° |
| C23 | C27 | H23 | 118.6° | 123.2° |
| C19 | N21 | C22 | 122.1° | 120.0° |
| N21 | C19 | O20 | 121.6° | 120.0° |
| C19 | N21 | H21 | 119.0° | 120.0° |
| N21 | C22 | C23 | 119.1° | 117.5° |
| N21 | C22 | H3 | 116.8° | 115.5° |
| C22 | N21 | H21 | 118.9° | 120.0° |
| C08 | C09 | C11 | 119.3° | 119.5° |
| C09 | C08 | H13 | 120.6° | 120.4° |
| C09 | C11 | C13 | 110.7° | 109.5° |
| C09 | C11 | H14 | 105.4° | 109.4° |
| C22 | C23 | C24 | 120.1° | 118.1° |
| C23 | C22 | H3 | 115.9° | 117.4° |
| C22 | C23 | H22 | 118.9° | 119.8° |
| C11 | C13 | C14 | 120.6° | 120.0° |
| C11 | C13 | C18 | 121.0° | 120.0° |
| C13 | C11 | H14 | 105.2° | 109.5° |
| O25 | C24 | C23 | 105.6° | 104.8° |
| O25 | C24 | H4 | 110.5° | 110.3° |
| O25 | C24 | H5 | 110.4° | 110.5° |
| C23 | C24 | H4 | 110.4° | 110.4° |
| C23 | C24 | H5 | 110.4° | 110.4° |
| C24 | C23 | H22 | 118.3° | 117.9° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C14 | C13 | C18 | 118.5° | 120.0° |
| C13 | C14 | H18 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H1 | 119.9° | 120.0° |
| C15 | C14 | H18 | 119.6° | 120.0° |
| C13 | C18 | C17 | 120.7° | 120.0° |
| C13 | C18 | H20 | 119.7° | 120.0° |
| C15 | C16 | C17 | 119.6° | 120.0° |
| C16 | C15 | H1 | 119.9° | 120.0° |
| C15 | C16 | H19 | 120.2° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C18 | C17 | H2 | 119.9° | 120.0° |
| C17 | C18 | H20 | 119.6° | 120.0° |
| C16 | C17 | H2 | 119.9° | 120.0° |
| C17 | C16 | H19 | 120.2° | 120.0° |
| H4 | C24 | H5 | 109.5° | 110.3° |
| H6 | C26 | H7 | 109.5° | 110.4° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | O04 | 0.1° | 0.0° |
| C01 | N02 | C03 | H11 | 180.0° | 180.0° |
| C01 | N02 | C03 | C05 | 178.3° | 180.0° |
| N02 | C01 | H8 | H9 | 120.0° | 119.9° |
| N02 | C01 | H8 | H10 | 120.0° | 120.1° |
| N02 | C01 | H9 | H10 | 120.0° | 120.1° |
| O04 | C03 | N02 | C05 | 178.2° | 180.0° |
| O04 | C03 | C05 | C06 | 8.2° | 0.0° |
| O04 | C03 | C05 | N10 | 170.6° | 179.7° |
| O04 | C03 | N02 | H11 | 179.9° | 180.0° |
| N02 | C03 | C05 | C06 | 173.5° | 180.0° |
| N02 | C03 | C05 | N10 | 7.6° | 0.3° |
| C03 | N02 | C01 | H8 | 180.0° | 59.9° |
| C03 | N02 | C01 | H9 | 60.0° | 60.0° |
| C03 | N02 | C01 | H10 | 60.0° | 180.0° |
| C03 | C05 | C06 | N10 | 178.8° | 179.7° |
| C03 | C05 | C06 | C07 | 178.6° | 180.0° |
| C03 | C05 | N10 | C09 | 179.3° | 179.8° |
| C05 | C03 | N02 | H11 | 1.7° | 0.0° |
| C03 | C05 | C06 | H12 | 1.4° | 0.1° |
| C05 | C06 | C07 | H12 | 180.0° | 180.0° |
| C06 | C05 | N10 | C09 | 0.5° | 0.5° |
| C05 | C06 | C07 | C19 | 178.5° | 179.9° |
| C05 | C06 | C07 | C08 | 1.1° | 0.0° |
| N10 | C05 | C06 | C07 | 0.2° | 0.3° |
| C05 | N10 | C09 | C08 | 0.4° | 0.5° |
| C05 | N10 | C09 | C11 | 179.8° | 179.8° |
| N10 | C05 | C06 | H12 | 179.8° | 179.8° |
| C06 | C07 | C19 | C08 | 177.4° | 179.9° |
| C06 | C07 | C19 | N21 | 22.8° | 0.1° |
| C06 | C07 | C08 | C09 | 1.2° | 0.0° |
| C06 | C07 | C19 | O20 | 156.2° | 180.0° |
| C06 | C07 | C08 | H13 | 178.8° | 180.0° |
| N10 | C09 | C08 | C07 | 0.5° | 0.2° |
| N10 | C09 | C11 | C12 | 38.4° | 145.3° |
| N10 | C09 | C08 | C11 | 179.5° | 179.7° |
| N10 | C09 | C11 | C13 | 91.9° | 94.7° |
| N10 | C09 | C08 | H13 | 179.5° | 179.8° |
| N10 | C09 | C11 | H14 | 154.9° | 25.3° |
| C27 | C26 | O25 | H6 | 119.4° | 118.9° |
| C27 | C26 | O25 | H7 | 119.4° | 118.8° |
| C26 | C27 | C22 | C23 | 90.7° | 90.4° |
| C26 | C27 | C22 | H23 | 161.1° | 156.3° |
| C26 | C27 | C23 | H23 | 134.8° | 137.7° |
| C26 | C27 | C22 | N21 | 159.5° | 161.9° |
| C27 | C26 | O25 | C24 | 33.7° | 40.5° |
| C26 | C27 | C23 | C24 | 0.4° | 0.1° |
| C26 | C27 | C22 | H3 | 15.7° | 17.4° |
| C27 | C26 | H6 | H7 | 121.8° | 122.3° |
| C26 | C27 | C23 | H22 | 134.8° | 137.7° |
| O25 | C26 | C27 | C22 | 43.5° | 86.8° |
| O25 | C26 | C27 | C23 | 20.3° | 24.0° |
| C26 | O25 | C24 | C23 | 33.5° | 40.5° |
| C26 | O25 | C24 | H4 | 85.9° | 78.3° |
| C26 | O25 | C24 | H5 | 152.9° | 159.4° |
| O25 | C26 | H6 | H7 | 121.8° | 122.3° |
| O25 | C26 | C27 | H23 | 155.3° | 116.4° |
| C07 | C19 | N21 | O20 | 178.9° | 179.9° |
| C07 | C19 | N21 | C22 | 178.1° | 180.0° |
| C19 | C07 | C08 | C09 | 178.7° | 179.9° |
| C19 | C07 | C06 | H12 | 1.6° | 0.0° |
| C19 | C07 | C08 | H13 | 1.3° | 0.0° |
| C07 | C19 | N21 | H21 | 1.9° | 0.1° |
| C08 | C07 | C19 | N21 | 159.8° | 180.0° |
| C07 | C08 | C09 | H13 | 180.0° | 180.0° |
| C07 | C08 | C09 | C11 | 179.0° | 180.0° |
| C08 | C07 | C19 | O20 | 21.3° | 0.1° |
| C08 | C07 | C06 | H12 | 178.9° | 180.0° |
| C12 | C11 | C09 | C08 | 142.1° | 35.0° |
| C12 | C11 | C09 | C13 | 130.4° | 120.0° |
| C12 | C11 | C09 | H14 | 116.4° | 119.9° |
| C12 | C11 | C13 | H14 | 113.6° | 120.0° |
| C12 | C11 | C13 | C14 | 69.1° | 60.2° |
| C12 | C11 | C13 | C18 | 111.2° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C22 | C27 | C23 | H23 | 108.5° | 107.7° |
| C27 | C22 | N21 | C19 | 180.0° | 135.7° |
| C27 | C22 | N21 | C23 | 69.1° | 69.4° |
| C27 | C22 | N21 | H3 | 143.5° | 145.2° |
| C27 | C22 | C23 | H3 | 106.4° | 107.6° |
| C22 | C27 | C23 | C24 | 116.3° | 114.6° |
| C22 | C27 | C26 | H6 | 162.9° | 32.1° |
| C22 | C27 | C26 | H7 | 75.8° | 154.4° |
| C27 | C22 | N21 | H21 | 0.0° | 44.5° |
| C22 | C27 | C23 | H22 | 108.5° | 107.7° |
| C27 | C23 | C24 | O25 | 19.6° | 23.9° |
| C27 | C23 | C24 | H22 | 135.4° | 140.4° |
| C27 | C23 | C24 | H4 | 99.8° | 94.9° |
| C27 | C23 | C24 | H5 | 139.0° | 142.9° |
| C23 | C27 | C26 | H6 | 99.1° | 94.9° |
| C23 | C27 | C26 | H7 | 139.6° | 142.8° |
| C19 | N21 | C22 | H21 | 180.0° | 179.9° |
| C19 | N21 | C22 | C23 | 110.9° | 154.9° |
| C19 | N21 | C22 | H3 | 36.5° | 9.5° |
| C22 | N21 | C19 | O20 | 0.8° | 0.1° |
| N21 | C22 | C23 | H3 | 147.6° | 144.8° |
| N21 | C22 | C23 | C24 | 163.3° | 162.0° |
| N21 | C22 | C23 | H22 | 2.4° | 5.7° |
| N21 | C22 | C27 | H23 | 1.5° | 5.5° |
| C08 | C09 | C11 | C13 | 87.5° | 85.0° |
| C08 | C09 | C11 | H14 | 25.7° | 155.0° |
| C09 | C11 | C13 | H14 | 113.4° | 120.0° |
| C09 | C11 | C13 | C14 | 63.9° | 59.8° |
| C09 | C11 | C13 | C18 | 115.7° | 120.1° |
| C11 | C09 | C08 | H13 | 1.0° | 0.1° |
| C09 | C11 | C12 | H15 | 180.0° | 60.0° |
| C09 | C11 | C12 | H16 | 60.0° | 180.0° |
| C09 | C11 | C12 | H17 | 60.0° | 60.0° |
| O20 | C19 | N21 | H21 | 179.2° | 180.0° |
| C22 | C23 | C24 | O25 | 44.0° | 86.8° |
| C22 | C23 | C24 | H22 | 161.0° | 156.7° |
| C22 | C23 | C24 | H4 | 163.3° | 32.0° |
| C22 | C23 | C24 | H5 | 75.4° | 154.2° |
| C23 | C22 | N21 | H21 | 69.1° | 24.9° |
| C11 | C13 | C14 | C18 | 179.6° | 179.9° |
| C11 | C13 | C14 | C15 | 179.8° | 179.8° |
| C11 | C13 | C18 | C17 | 179.9° | 180.0° |
| C13 | C11 | C12 | H15 | 50.3° | 60.0° |
| C13 | C11 | C12 | H16 | 170.3° | 60.0° |
| C13 | C11 | C12 | H17 | 69.7° | 180.0° |
| C11 | C13 | C14 | H18 | 0.2° | 0.2° |
| C11 | C13 | C18 | H20 | 0.1° | 0.2° |
| O25 | C24 | C23 | H4 | 119.4° | 118.8° |
| O25 | C24 | C23 | H5 | 119.4° | 119.0° |
| O25 | C24 | H4 | H5 | 121.8° | 122.4° |
| C24 | O25 | C26 | H6 | 85.7° | 78.4° |
| C24 | O25 | C26 | H7 | 153.1° | 159.3° |
| O25 | C24 | C23 | H22 | 155.0° | 116.5° |
| C24 | C23 | C22 | H3 | 15.7° | 17.3° |
| C23 | C24 | H4 | H5 | 121.8° | 122.3° |
| C24 | C23 | C27 | H23 | 135.2° | 137.7° |
| C13 | C14 | C15 | H18 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C18 | C17 | 0.5° | 0.1° |
| C13 | C14 | C15 | H1 | 180.0° | 179.6° |
| C14 | C13 | C11 | H14 | 177.3° | 179.8° |
| C14 | C13 | C18 | H20 | 179.5° | 179.7° |
| C15 | C14 | C13 | C18 | 0.1° | 0.1° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C14 | C15 | C16 | H19 | 179.8° | 179.7° |
| C13 | C18 | C17 | H20 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.7° | 0.5° |
| C13 | C18 | C17 | H2 | 179.3° | 179.9° |
| C18 | C13 | C11 | H14 | 2.4° | 0.1° |
| C18 | C13 | C14 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.5° |
| C15 | C16 | C17 | H19 | 180.0° | 179.9° |
| C15 | C16 | C17 | H2 | 179.5° | 180.0° |
| C16 | C15 | C14 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H2 | 180.0° | 179.4° |
| C18 | C17 | C16 | H19 | 179.5° | 179.4° |
| C17 | C16 | C15 | H1 | 179.8° | 179.9° |
| C16 | C17 | C18 | H20 | 179.3° | 179.4° |
| H1 | C15 | C14 | H18 | 0.0° | 0.3° |
| H1 | C15 | C16 | H19 | 0.2° | 0.0° |
| H2 | C17 | C16 | H19 | 0.5° | 0.0° |
| H2 | C17 | C18 | H20 | 0.7° | 0.0° |
| H3 | C22 | N21 | H21 | 143.6° | 170.4° |
| H3 | C22 | C23 | H22 | 145.2° | 139.0° |
| H3 | C22 | C27 | H23 | 145.4° | 139.0° |
| H4 | C24 | C23 | H22 | 35.6° | 124.7° |
| H5 | C24 | C23 | H22 | 85.6° | 2.5° |
| H6 | C26 | C27 | H23 | 35.9° | 124.7° |
| H7 | C26 | C27 | H23 | 85.3° | 2.4° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | N02 | H11 | 0.0° | 120.0° |
| H9 | C01 | N02 | H11 | 120.0° | 120.1° |
| H10 | C01 | N02 | H11 | 120.0° | 0.0° |
| H14 | C11 | C12 | H15 | 63.4° | 179.9° |
| H14 | C11 | C12 | H16 | 56.6° | 60.1° |
| H14 | C11 | C12 | H17 | 176.6° | 59.9° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H22 | C23 | C27 | H23 | 0.0° | 0.0° |
