KL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C12 | N11 | sing | 1.47Å | 1.48Å | |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C13 | sing | 1.47Å | 1.48Å | |
| N11 | C10 | sing | 1.47Å | 1.49Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.51Å | |
| C06 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C02 | N01 | sing | 1.32Å | 1.34Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N02 | H18 | sing | 0.97Å | 1.00Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C05 | 122.1° | 120.8° |
| C07 | C04 | C03 | 119.0° | 120.7° |
| C04 | C07 | H5 | 109.5° | 109.5° |
| C04 | C07 | H6 | 109.5° | 109.5° |
| C04 | C07 | H7 | 109.4° | 109.5° |
| C12 | N11 | C13 | 109.5° | 111.0° |
| C12 | N11 | C10 | 115.6° | 111.0° |
| N11 | C12 | H12 | 109.5° | 109.5° |
| N11 | C12 | H13 | 109.5° | 109.5° |
| N11 | C12 | H14 | 109.5° | 109.5° |
| C05 | C04 | C03 | 118.9° | 118.5° |
| C04 | C05 | C06 | 119.1° | 119.3° |
| C04 | C05 | H4 | 120.5° | 120.3° |
| C04 | C03 | C02 | 120.4° | 119.1° |
| C04 | C03 | H3 | 119.8° | 120.4° |
| C05 | C06 | C08 | 121.5° | 119.5° |
| C05 | C06 | N01 | 120.6° | 120.9° |
| C06 | C05 | H4 | 120.5° | 120.4° |
| C13 | N11 | C10 | 105.7° | 111.0° |
| N11 | C13 | H15 | 109.5° | 109.5° |
| N11 | C13 | H16 | 109.5° | 109.5° |
| N11 | C13 | H17 | 109.5° | 109.5° |
| N11 | C10 | C09 | 118.3° | 109.5° |
| N11 | C10 | H1 | 107.2° | 109.5° |
| N11 | C10 | H2 | 107.2° | 109.4° |
| C03 | C02 | N01 | 119.9° | 120.6° |
| C03 | C02 | N02 | 120.7° | 119.7° |
| C02 | C03 | H3 | 119.8° | 120.5° |
| C08 | C06 | N01 | 117.9° | 119.6° |
| C06 | C08 | C09 | 107.8° | 109.5° |
| C06 | C08 | H8 | 109.9° | 109.5° |
| C06 | C08 | H9 | 109.9° | 109.5° |
| C06 | N01 | C02 | 121.0° | 121.6° |
| C08 | C09 | C10 | 117.4° | 109.5° |
| C09 | C08 | H8 | 109.9° | 109.4° |
| C09 | C08 | H9 | 109.9° | 109.5° |
| C08 | C09 | H10 | 107.4° | 109.5° |
| C08 | C09 | H11 | 107.4° | 109.5° |
| C09 | C10 | H1 | 107.2° | 109.5° |
| C09 | C10 | H2 | 107.2° | 109.5° |
| C10 | C09 | H10 | 107.4° | 109.5° |
| C10 | C09 | H11 | 107.5° | 109.4° |
| N01 | C02 | N02 | 119.4° | 119.7° |
| C02 | N02 | H18 | 109.5° | 120.0° |
| C02 | N02 | H19 | 109.4° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | N02 | H19 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C05 | C03 | 179.2° | 179.9° |
| C07 | C04 | C05 | C06 | 179.7° | 180.0° |
| C07 | C04 | C03 | C02 | 179.5° | 180.0° |
| C07 | C04 | C03 | H3 | 0.6° | 0.1° |
| C07 | C04 | C05 | H4 | 0.3° | 0.0° |
| C04 | C07 | H5 | H6 | 120.0° | 120.1° |
| C04 | C07 | H5 | H7 | 120.0° | 120.0° |
| C04 | C07 | H6 | H7 | 120.0° | 120.1° |
| C12 | N11 | C13 | C10 | 125.1° | 124.0° |
| C12 | N11 | C10 | C09 | 45.5° | 170.0° |
| C12 | N11 | C10 | H1 | 166.7° | 49.9° |
| C12 | N11 | C10 | H2 | 75.8° | 70.0° |
| N11 | C12 | H12 | H13 | 120.0° | 120.1° |
| N11 | C12 | H12 | H14 | 120.0° | 120.0° |
| N11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | N11 | C13 | H15 | 180.0° | 60.0° |
| C12 | N11 | C13 | H16 | 60.0° | 180.0° |
| C12 | N11 | C13 | H17 | 60.0° | 60.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C04 | C05 | C06 | C08 | 179.6° | 180.0° |
| C04 | C05 | C06 | N01 | 0.3° | 0.0° |
| C05 | C04 | C03 | H3 | 179.8° | 180.0° |
| C05 | C04 | C07 | H5 | 90.4° | 90.0° |
| C05 | C04 | C07 | H6 | 149.6° | 150.0° |
| C05 | C04 | C07 | H7 | 29.6° | 29.9° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | N01 | 0.3° | 0.0° |
| C04 | C03 | C02 | N02 | 179.8° | 179.8° |
| C03 | C04 | C05 | H4 | 179.5° | 180.0° |
| C03 | C04 | C07 | H5 | 90.4° | 90.1° |
| C03 | C04 | C07 | H6 | 29.6° | 30.0° |
| C03 | C04 | C07 | H7 | 149.6° | 150.0° |
| C05 | C06 | C08 | N01 | 179.9° | 180.0° |
| C05 | C06 | C08 | C09 | 54.1° | 125.1° |
| C05 | C06 | N01 | C02 | 0.2° | 0.1° |
| C05 | C06 | C08 | H8 | 173.8° | 115.0° |
| C05 | C06 | C08 | H9 | 65.6° | 5.0° |
| C13 | N11 | C10 | C09 | 166.7° | 66.0° |
| C13 | N11 | C10 | H1 | 72.0° | 173.9° |
| C13 | N11 | C10 | H2 | 45.5° | 54.0° |
| C13 | N11 | C12 | H12 | 180.0° | 56.0° |
| C13 | N11 | C12 | H13 | 60.0° | 176.1° |
| C13 | N11 | C12 | H14 | 60.0° | 64.0° |
| N11 | C13 | H15 | H16 | 120.0° | 120.0° |
| N11 | C13 | H15 | H17 | 120.0° | 120.0° |
| N11 | C13 | H16 | H17 | 120.0° | 120.0° |
| N11 | C10 | C09 | C08 | 47.0° | 180.0° |
| N11 | C10 | C09 | H1 | 121.2° | 120.0° |
| N11 | C10 | C09 | H2 | 121.2° | 120.0° |
| N11 | C10 | H1 | H2 | 116.0° | 119.9° |
| N11 | C10 | C09 | H10 | 74.1° | 60.0° |
| N11 | C10 | C09 | H11 | 168.2° | 60.0° |
| C10 | N11 | C12 | H12 | 60.8° | 180.0° |
| C10 | N11 | C12 | H13 | 59.2° | 60.0° |
| C10 | N11 | C12 | H14 | 179.2° | 60.0° |
| C10 | N11 | C13 | H15 | 54.9° | 64.0° |
| C10 | N11 | C13 | H16 | 174.9° | 56.0° |
| C10 | N11 | C13 | H17 | 65.1° | 176.0° |
| C03 | C02 | N01 | C06 | 0.5° | 0.1° |
| C03 | C02 | N01 | N02 | 180.0° | 179.8° |
| C03 | C02 | N02 | H18 | 179.9° | 179.7° |
| C03 | C02 | N02 | H19 | 60.1° | 0.2° |
| C06 | C08 | C09 | H8 | 119.7° | 120.0° |
| C06 | C08 | C09 | H9 | 119.8° | 120.0° |
| C06 | C08 | C09 | C10 | 168.9° | 180.0° |
| C08 | C06 | N01 | C02 | 179.9° | 180.0° |
| C08 | C06 | C05 | H4 | 0.4° | 0.0° |
| C06 | C08 | H8 | H9 | 120.8° | 120.1° |
| C06 | C08 | C09 | H10 | 70.0° | 60.0° |
| C06 | C08 | C09 | H11 | 47.7° | 60.0° |
| N01 | C06 | C08 | C09 | 126.0° | 55.0° |
| C06 | N01 | C02 | N02 | 179.6° | 179.7° |
| N01 | C06 | C05 | H4 | 179.7° | 180.0° |
| N01 | C06 | C08 | H8 | 6.3° | 65.0° |
| N01 | C06 | C08 | H9 | 114.3° | 175.0° |
| C08 | C09 | C10 | H10 | 121.1° | 120.0° |
| C08 | C09 | C10 | H11 | 121.2° | 120.0° |
| C08 | C09 | C10 | H1 | 74.2° | 60.0° |
| C08 | C09 | C10 | H2 | 168.2° | 60.0° |
| C09 | C08 | H8 | H9 | 120.7° | 120.0° |
| C08 | C09 | H10 | H11 | 116.4° | 120.0° |
| C09 | C10 | H1 | H2 | 116.0° | 120.0° |
| C10 | C09 | C08 | H8 | 49.1° | 60.0° |
| C10 | C09 | C08 | H9 | 71.4° | 60.0° |
| C10 | C09 | H10 | H11 | 116.4° | 120.0° |
| N01 | C02 | C03 | H3 | 179.7° | 179.9° |
| N01 | C02 | N02 | H18 | 0.0° | 0.0° |
| N01 | C02 | N02 | H19 | 120.0° | 180.0° |
| N02 | C02 | C03 | H3 | 0.3° | 0.3° |
| C02 | N02 | H18 | H19 | 120.0° | 180.0° |
| H1 | C10 | C09 | H10 | 164.6° | 60.0° |
| H1 | C10 | C09 | H11 | 46.9° | 180.0° |
| H2 | C10 | C09 | H10 | 47.1° | 180.0° |
| H2 | C10 | C09 | H11 | 70.6° | 60.0° |
| H5 | C07 | H6 | H7 | 120.0° | 119.9° |
| H8 | C08 | C09 | H10 | 170.3° | 60.0° |
| H8 | C08 | C09 | H11 | 72.1° | 180.0° |
| H9 | C08 | C09 | H10 | 49.7° | 180.0° |
| H9 | C08 | C09 | H11 | 167.4° | 60.0° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
