8F1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| N28 | C27 | trip | 1.14Å | 1.16Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C27 | C23 | sing | 1.43Å | 1.29Å | |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.39Å | Aromatic |
| C08 | C12 | sing | 1.51Å | 1.51Å | |
| O13 | C21 | sing | 1.36Å | 1.36Å | |
| O13 | C12 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C31 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | N33 | sing | 1.47Å | 1.47Å | |
| N33 | C34 | sing | 1.47Å | 1.48Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| N33 | H6 | sing | 1.01Å | 1.00Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C34 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å | |
| N02 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C04 | C03 | 120.1° | 120.9° |
| C11 | C04 | C05 | 120.6° | 120.9° |
| C04 | C11 | H18 | 109.5° | 109.5° |
| C04 | C11 | H19 | 109.4° | 109.5° |
| C04 | C11 | H20 | 109.4° | 109.5° |
| C03 | C04 | C05 | 119.2° | 118.3° |
| C04 | C03 | C02 | 119.1° | 119.9° |
| C04 | C03 | H21 | 120.5° | 120.1° |
| C04 | C05 | C06 | 120.4° | 121.3° |
| C04 | C05 | C10 | 119.7° | 119.1° |
| C03 | C02 | N02 | 121.3° | 119.2° |
| C03 | C02 | N01 | 120.5° | 121.5° |
| C02 | C03 | H21 | 120.5° | 120.0° |
| C05 | C06 | C07 | 119.3° | 119.7° |
| C06 | C05 | C10 | 119.9° | 119.6° |
| C05 | C06 | H17 | 120.3° | 120.2° |
| C06 | C07 | C08 | 120.7° | 120.8° |
| C06 | C07 | H16 | 119.6° | 119.6° |
| C07 | C06 | H17 | 120.3° | 120.1° |
| C05 | C10 | N01 | 119.9° | 119.9° |
| C05 | C10 | C09 | 120.9° | 119.1° |
| N02 | C02 | N01 | 118.2° | 119.3° |
| C02 | N02 | H22 | 109.5° | 120.0° |
| C02 | N02 | H23 | 109.5° | 120.0° |
| C02 | N01 | C10 | 121.5° | 121.3° |
| N28 | C27 | C23 | 177.7° | 180.0° |
| C07 | C08 | C09 | 120.3° | 121.1° |
| C07 | C08 | C12 | 118.9° | 119.5° |
| C08 | C07 | H16 | 119.7° | 119.5° |
| N01 | C10 | C09 | 119.1° | 121.0° |
| C10 | C09 | C08 | 118.9° | 119.7° |
| C10 | C09 | H15 | 120.5° | 120.1° |
| C27 | C23 | C22 | 118.6° | 120.1° |
| C27 | C23 | C24 | 121.8° | 120.1° |
| C23 | C22 | C21 | 120.2° | 119.8° |
| C22 | C23 | C24 | 119.6° | 119.8° |
| C23 | C22 | H11 | 119.9° | 120.1° |
| C22 | C21 | O13 | 117.5° | 120.0° |
| C22 | C21 | C26 | 120.3° | 120.0° |
| C21 | C22 | H11 | 119.9° | 120.1° |
| C09 | C08 | C12 | 120.8° | 119.5° |
| C08 | C09 | H15 | 120.5° | 120.2° |
| C08 | C12 | O13 | 106.3° | 109.5° |
| C08 | C12 | H13 | 110.3° | 109.5° |
| C08 | C12 | H14 | 110.3° | 109.5° |
| C21 | O13 | C12 | 124.3° | 117.0° |
| O13 | C21 | C26 | 122.2° | 120.0° |
| O13 | C12 | H13 | 110.3° | 109.4° |
| O13 | C12 | H14 | 110.2° | 109.5° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H1 | 119.8° | 120.0° |
| C21 | C26 | C25 | 119.7° | 120.3° |
| C21 | C26 | H12 | 120.2° | 119.8° |
| C24 | C25 | C26 | 120.0° | 120.2° |
| C24 | C25 | C31 | 120.4° | 119.9° |
| C25 | C24 | H1 | 119.9° | 120.0° |
| C26 | C25 | C31 | 119.7° | 119.9° |
| C25 | C26 | H12 | 120.1° | 119.9° |
| C25 | C31 | C32 | 110.4° | 109.5° |
| C25 | C31 | H2 | 109.3° | 109.4° |
| C25 | C31 | H3 | 109.3° | 109.4° |
| C31 | C32 | N33 | 109.3° | 109.5° |
| C32 | C31 | H2 | 109.2° | 109.5° |
| C32 | C31 | H3 | 109.2° | 109.5° |
| C31 | C32 | H4 | 109.5° | 109.5° |
| C31 | C32 | H5 | 109.5° | 109.5° |
| C32 | N33 | C34 | 110.4° | 111.0° |
| N33 | C32 | H4 | 109.5° | 109.4° |
| N33 | C32 | H5 | 109.5° | 109.5° |
| C32 | N33 | H6 | 109.2° | 111.0° |
| C34 | N33 | H6 | 109.3° | 111.0° |
| N33 | C34 | H8 | 109.5° | 109.5° |
| N33 | C34 | H9 | 109.4° | 109.5° |
| N33 | C34 | H10 | 109.5° | 109.5° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H8 | C34 | H9 | 109.4° | 109.4° |
| H8 | C34 | H10 | 109.4° | 109.5° |
| H9 | C34 | H10 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H18 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H22 | N02 | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C04 | C03 | C05 | 179.4° | 179.9° |
| C11 | C04 | C03 | C02 | 179.6° | 179.9° |
| C11 | C04 | C05 | C06 | 0.8° | 0.1° |
| C11 | C04 | C05 | C10 | 179.8° | 179.6° |
| C04 | C11 | H18 | H19 | 120.0° | 120.0° |
| C04 | C11 | H18 | H20 | 120.0° | 120.0° |
| C04 | C11 | H19 | H20 | 120.0° | 120.1° |
| C11 | C04 | C03 | H21 | 0.4° | 0.0° |
| C04 | C03 | C02 | H21 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 179.8° | 180.0° |
| C03 | C04 | C05 | C10 | 0.4° | 0.3° |
| C04 | C03 | C02 | N02 | 179.9° | 180.0° |
| C04 | C03 | C02 | N01 | 0.0° | 0.1° |
| C03 | C04 | C11 | H18 | 89.7° | 90.0° |
| C03 | C04 | C11 | H19 | 150.3° | 150.0° |
| C03 | C04 | C11 | H20 | 30.3° | 30.0° |
| C05 | C04 | C03 | C02 | 0.3° | 0.0° |
| C04 | C05 | C06 | C10 | 179.5° | 179.8° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C10 | N01 | 0.2° | 0.6° |
| C04 | C05 | C10 | C09 | 179.6° | 179.7° |
| C04 | C05 | C06 | H17 | 0.0° | 0.2° |
| C05 | C04 | C11 | H18 | 89.7° | 90.1° |
| C05 | C04 | C11 | H19 | 30.3° | 29.9° |
| C05 | C04 | C11 | H20 | 150.3° | 150.0° |
| C05 | C04 | C03 | H21 | 179.8° | 180.0° |
| C03 | C02 | N02 | N01 | 179.9° | 179.9° |
| C03 | C02 | N01 | C10 | 0.1° | 0.4° |
| C03 | C02 | N02 | H22 | 179.9° | 0.0° |
| C03 | C02 | N02 | H23 | 59.9° | 180.0° |
| C05 | C06 | C07 | H17 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 0.1° | 0.1° |
| C06 | C05 | C10 | N01 | 179.7° | 179.6° |
| C06 | C05 | C10 | C09 | 1.0° | 0.5° |
| C05 | C06 | C07 | H16 | 179.9° | 180.0° |
| C07 | C06 | C05 | C10 | 0.5° | 0.2° |
| C06 | C07 | C08 | H16 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.2° | 0.1° |
| C06 | C07 | C08 | C12 | 179.1° | 179.7° |
| C05 | C10 | N01 | C02 | 0.0° | 0.6° |
| C05 | C10 | N01 | C09 | 179.3° | 179.1° |
| C05 | C10 | C09 | C08 | 1.1° | 0.5° |
| C05 | C10 | C09 | H15 | 178.9° | 179.4° |
| C10 | C05 | C06 | H17 | 179.5° | 180.0° |
| N02 | C02 | N01 | C10 | 179.8° | 179.7° |
| N02 | C02 | C03 | H21 | 0.1° | 0.1° |
| C02 | N02 | H22 | H23 | 120.0° | 180.0° |
| C02 | N01 | C10 | C09 | 179.3° | 179.7° |
| N01 | C02 | C03 | H21 | 180.0° | 180.0° |
| N01 | C02 | N02 | H22 | 0.0° | 180.0° |
| N01 | C02 | N02 | H23 | 120.0° | 0.0° |
| N28 | C27 | C23 | C22 | 42.9° | 64.3° |
| N28 | C27 | C23 | C24 | 138.2° | 115.9° |
| C07 | C08 | C09 | C10 | 0.7° | 0.2° |
| C07 | C08 | C09 | C12 | 178.9° | 179.8° |
| C07 | C08 | C12 | O13 | 34.3° | 90.3° |
| C07 | C08 | C12 | H13 | 153.8° | 149.8° |
| C07 | C08 | C12 | H14 | 85.1° | 29.8° |
| C07 | C08 | C09 | H15 | 179.3° | 179.7° |
| C08 | C07 | C06 | H17 | 179.9° | 179.7° |
| N01 | C10 | C09 | C08 | 179.6° | 179.7° |
| N01 | C10 | C09 | H15 | 0.4° | 0.3° |
| C10 | C09 | C08 | H15 | 180.0° | 180.0° |
| C10 | C09 | C08 | C12 | 179.5° | 180.0° |
| C27 | C23 | C22 | C24 | 178.9° | 179.8° |
| C27 | C23 | C22 | C21 | 179.0° | 179.9° |
| C27 | C23 | C24 | C25 | 179.3° | 180.0° |
| C27 | C23 | C24 | H1 | 0.7° | 0.0° |
| C27 | C23 | C22 | H11 | 1.0° | 0.1° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C23 | C22 | C21 | O13 | 179.9° | 180.0° |
| C23 | C22 | C21 | C26 | 0.3° | 0.1° |
| C22 | C23 | C24 | C25 | 0.5° | 0.2° |
| C22 | C23 | C24 | H1 | 179.5° | 179.8° |
| C22 | C21 | O13 | C26 | 179.6° | 179.9° |
| C22 | C21 | O13 | C12 | 164.7° | 0.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | C21 | C26 | C25 | 0.3° | 0.3° |
| C22 | C21 | C26 | H12 | 179.7° | 179.9° |
| C09 | C08 | C12 | O13 | 144.5° | 90.0° |
| C09 | C08 | C12 | H13 | 25.1° | 30.0° |
| C09 | C08 | C12 | H14 | 96.0° | 150.0° |
| C09 | C08 | C07 | H16 | 179.8° | 180.0° |
| C08 | C12 | O13 | C21 | 171.4° | 180.0° |
| C08 | C12 | O13 | H13 | 119.5° | 120.0° |
| C08 | C12 | O13 | H14 | 119.5° | 120.1° |
| C08 | C12 | H13 | H14 | 121.5° | 120.1° |
| C12 | C08 | C09 | H15 | 0.4° | 0.0° |
| C12 | C08 | C07 | H16 | 0.9° | 0.2° |
| O13 | C21 | C26 | C25 | 179.9° | 179.8° |
| O13 | C21 | C22 | H11 | 0.1° | 0.1° |
| O13 | C21 | C26 | H12 | 0.1° | 0.0° |
| C21 | O13 | C12 | H13 | 51.9° | 60.0° |
| C21 | O13 | C12 | H14 | 69.1° | 59.9° |
| C12 | O13 | C21 | C26 | 15.7° | 180.0° |
| O13 | C12 | H13 | H14 | 121.5° | 119.9° |
| C23 | C24 | C25 | H1 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.0° |
| C23 | C24 | C25 | C31 | 179.9° | 180.0° |
| C24 | C23 | C22 | H11 | 179.9° | 179.7° |
| C21 | C26 | C25 | C24 | 0.1° | 0.3° |
| C21 | C26 | C25 | H12 | 180.0° | 179.7° |
| C21 | C26 | C25 | C31 | 179.8° | 179.7° |
| C26 | C21 | C22 | H11 | 179.7° | 180.0° |
| C24 | C25 | C26 | C31 | 179.7° | 180.0° |
| C24 | C25 | C31 | C32 | 110.4° | 90.0° |
| C24 | C25 | C31 | H2 | 129.5° | 150.0° |
| C24 | C25 | C31 | H3 | 9.7° | 30.0° |
| C24 | C25 | C26 | H12 | 179.9° | 180.0° |
| C26 | C25 | C31 | C32 | 69.9° | 90.0° |
| C26 | C25 | C24 | H1 | 179.5° | 180.0° |
| C26 | C25 | C31 | H2 | 50.2° | 30.0° |
| C26 | C25 | C31 | H3 | 169.9° | 150.0° |
| C25 | C31 | C32 | H2 | 120.2° | 119.9° |
| C25 | C31 | C32 | H3 | 120.1° | 120.0° |
| C25 | C31 | C32 | N33 | 126.0° | 180.0° |
| C31 | C25 | C24 | H1 | 0.1° | 0.1° |
| C25 | C31 | H2 | H3 | 119.6° | 120.0° |
| C25 | C31 | C32 | H4 | 114.0° | 60.0° |
| C25 | C31 | C32 | H5 | 6.1° | 59.9° |
| C31 | C25 | C26 | H12 | 0.3° | 0.0° |
| C31 | C32 | N33 | H4 | 120.0° | 120.0° |
| C31 | C32 | N33 | H5 | 120.0° | 120.1° |
| C31 | C32 | N33 | C34 | 166.9° | 180.0° |
| C32 | C31 | H2 | H3 | 119.5° | 120.1° |
| C31 | C32 | H4 | H5 | 120.1° | 120.0° |
| C31 | C32 | N33 | H6 | 73.0° | 56.1° |
| C32 | N33 | C34 | H6 | 120.1° | 123.9° |
| N33 | C32 | C31 | H2 | 5.9° | 60.1° |
| N33 | C32 | C31 | H3 | 113.8° | 60.0° |
| N33 | C32 | H4 | H5 | 120.1° | 120.0° |
| C32 | N33 | C34 | H8 | 180.0° | 60.0° |
| C32 | N33 | C34 | H9 | 60.0° | 59.9° |
| C32 | N33 | C34 | H10 | 60.0° | 180.0° |
| C34 | N33 | C32 | H4 | 46.9° | 60.1° |
| C34 | N33 | C32 | H5 | 73.2° | 59.9° |
| N33 | C34 | H8 | H9 | 120.0° | 120.0° |
| N33 | C34 | H8 | H10 | 120.0° | 120.0° |
| N33 | C34 | H9 | H10 | 120.0° | 120.0° |
| H2 | C31 | C32 | H4 | 125.9° | 180.0° |
| H2 | C31 | C32 | H5 | 114.1° | 60.0° |
| H3 | C31 | C32 | H4 | 6.2° | 59.9° |
| H3 | C31 | C32 | H5 | 126.2° | 179.9° |
| H4 | C32 | N33 | H6 | 167.0° | 176.0° |
| H5 | C32 | N33 | H6 | 47.0° | 64.0° |
| H6 | N33 | C34 | H8 | 59.9° | 176.1° |
| H6 | N33 | C34 | H9 | 179.9° | 64.0° |
| H6 | N33 | C34 | H10 | 60.1° | 56.1° |
| H8 | C34 | H9 | H10 | 120.0° | 120.0° |
| H16 | C07 | C06 | H17 | 0.1° | 0.2° |
| H18 | C11 | H19 | H20 | 120.0° | 119.9° |
