K65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | N12 | sing | 1.40Å | 1.50Å | |
| C07 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.50Å | |
| C06 | C04 | sing | 1.48Å | 1.40Å | |
| O14 | C13 | doub | 1.22Å | 1.22Å | |
| C13 | C15 | sing | 1.47Å | 1.54Å | |
| C15 | C16 | doub | 1.33Å | 1.32Å | |
| C04 | C05 | doub | 1.35Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | S01 | sing | 1.71Å | 1.70Å | Aromatic |
| C03 | C02 | doub | 1.35Å | 1.39Å | Aromatic |
| C02 | S01 | sing | 1.76Å | 1.69Å | Aromatic |
| C02 | C17 | sing | 1.47Å | 1.52Å | |
| C17 | N19 | doub | 1.31Å | 1.45Å | |
| C17 | N18 | sing | 1.38Å | 1.27Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| N18 | H11 | sing | 0.97Å | 1.00Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å | |
| N19 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 119.5° | 120.3° |
| C09 | C08 | C07 | 123.2° | 120.1° |
| C09 | C08 | H6 | 118.4° | 120.0° |
| C08 | C09 | H7 | 120.3° | 119.9° |
| C09 | C10 | C11 | 119.0° | 120.3° |
| C09 | C10 | H1 | 120.5° | 119.8° |
| C10 | C09 | H7 | 120.2° | 119.8° |
| C08 | C07 | N12 | 109.9° | 120.1° |
| C08 | C07 | C06 | 117.1° | 119.7° |
| C07 | C08 | H6 | 118.4° | 120.0° |
| C10 | C11 | C06 | 122.4° | 119.9° |
| C11 | C10 | H1 | 120.5° | 119.9° |
| C10 | C11 | H8 | 118.8° | 120.0° |
| N12 | C07 | C06 | 132.3° | 120.1° |
| C07 | N12 | C13 | 142.3° | 120.0° |
| C07 | N12 | H2 | 108.8° | 120.0° |
| C07 | C06 | C11 | 118.5° | 119.7° |
| C07 | C06 | C04 | 124.7° | 120.2° |
| C11 | C06 | C04 | 116.6° | 120.2° |
| C06 | C11 | H8 | 118.8° | 120.0° |
| N12 | C13 | O14 | 115.5° | 120.0° |
| N12 | C13 | C15 | 126.5° | 120.0° |
| C13 | N12 | H2 | 108.9° | 120.0° |
| C06 | C04 | C05 | 120.2° | 122.8° |
| C06 | C04 | C03 | 125.8° | 122.7° |
| O14 | C13 | C15 | 118.0° | 120.0° |
| C13 | C15 | C16 | 119.3° | 120.0° |
| C13 | C15 | H3 | 120.3° | 120.0° |
| C16 | C15 | H3 | 120.4° | 120.0° |
| C15 | C16 | H9 | 120.0° | 120.0° |
| C15 | C16 | H10 | 120.0° | 120.0° |
| C05 | C04 | C03 | 114.0° | 114.5° |
| C04 | C05 | S01 | 107.4° | 110.8° |
| C04 | C05 | H5 | 126.3° | 124.6° |
| C04 | C03 | C02 | 114.6° | 113.5° |
| C04 | C03 | H4 | 122.7° | 123.2° |
| C05 | S01 | C02 | 97.4° | 91.7° |
| S01 | C05 | H5 | 126.3° | 124.6° |
| C03 | C02 | S01 | 106.7° | 109.6° |
| C03 | C02 | C17 | 134.1° | 125.2° |
| C02 | C03 | H4 | 122.7° | 123.3° |
| S01 | C02 | C17 | 119.2° | 125.2° |
| C02 | C17 | N19 | 120.5° | 120.0° |
| C02 | C17 | N18 | 118.1° | 120.0° |
| N19 | C17 | N18 | 121.3° | 120.0° |
| C17 | N19 | H13 | 112.0° | 120.0° |
| C17 | N18 | H11 | 120.0° | 120.0° |
| C17 | N18 | H12 | 120.0° | 120.0° |
| H9 | C16 | H10 | 120.0° | 120.0° |
| H11 | N18 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | H6 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | C08 | C07 | N12 | 176.6° | 179.8° |
| C09 | C08 | C07 | C06 | 5.1° | 0.9° |
| C08 | C09 | C10 | H1 | 179.6° | 179.8° |
| C10 | C09 | C08 | C07 | 2.0° | 0.6° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C06 | 0.7° | 0.2° |
| C10 | C09 | C08 | H6 | 178.0° | 179.7° |
| C09 | C10 | C11 | H8 | 179.3° | 179.7° |
| C08 | C07 | N12 | C06 | 169.7° | 179.3° |
| C08 | C07 | C06 | C11 | 5.9° | 0.6° |
| C08 | C07 | N12 | C13 | 124.6° | 25.0° |
| C08 | C07 | C06 | C04 | 179.5° | 179.4° |
| C08 | C07 | N12 | H2 | 55.4° | 155.1° |
| C07 | C08 | C09 | H7 | 178.0° | 179.4° |
| C10 | C11 | C06 | C07 | 3.9° | 0.1° |
| C10 | C11 | C06 | H8 | 180.0° | 179.9° |
| C10 | C11 | C06 | C04 | 179.0° | 180.0° |
| C11 | C10 | C09 | H7 | 179.6° | 179.9° |
| N12 | C07 | C06 | C11 | 175.0° | 180.0° |
| C07 | N12 | C13 | H2 | 180.0° | 179.9° |
| N12 | C07 | C06 | C04 | 10.3° | 0.1° |
| C07 | N12 | C13 | O14 | 178.3° | 5.4° |
| C07 | N12 | C13 | C15 | 2.3° | 174.5° |
| N12 | C07 | C08 | H6 | 3.4° | 0.1° |
| C07 | C06 | C11 | C04 | 175.1° | 179.9° |
| C06 | C07 | N12 | C13 | 65.7° | 155.7° |
| C07 | C06 | C04 | C05 | 1.4° | 50.0° |
| C07 | C06 | C04 | C03 | 178.6° | 130.0° |
| C06 | C07 | N12 | H2 | 114.3° | 24.2° |
| C06 | C07 | C08 | H6 | 174.8° | 179.4° |
| C07 | C06 | C11 | H8 | 176.0° | 180.0° |
| C11 | C06 | C04 | C05 | 173.4° | 129.9° |
| C11 | C06 | C04 | C03 | 3.8° | 50.1° |
| C06 | C11 | C10 | H1 | 179.3° | 180.0° |
| N12 | C13 | O14 | C15 | 179.5° | 180.0° |
| N12 | C13 | C15 | C16 | 176.0° | 180.0° |
| N12 | C13 | C15 | H3 | 4.0° | 0.0° |
| C06 | C04 | C05 | C03 | 177.5° | 180.0° |
| C06 | C04 | C05 | S01 | 178.5° | 180.0° |
| C06 | C04 | C03 | C02 | 178.0° | 180.0° |
| C06 | C04 | C03 | H4 | 2.0° | 0.0° |
| C06 | C04 | C05 | H5 | 1.5° | 0.0° |
| C04 | C06 | C11 | H8 | 1.0° | 0.1° |
| O14 | C13 | C15 | C16 | 4.6° | 0.0° |
| O14 | C13 | N12 | H2 | 1.7° | 174.5° |
| O14 | C13 | C15 | H3 | 175.4° | 179.9° |
| C13 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C13 | N12 | H2 | 177.7° | 5.5° |
| C13 | C15 | C16 | H9 | 180.0° | 180.0° |
| C13 | C15 | C16 | H10 | 0.0° | 0.0° |
| C15 | C16 | H9 | H10 | 180.0° | 179.9° |
| C04 | C05 | S01 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C04 | C05 | S01 | C02 | 0.9° | 0.0° |
| C05 | C04 | C03 | H4 | 179.4° | 180.0° |
| C03 | C04 | C05 | S01 | 1.0° | 0.0° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | S01 | 0.1° | 0.0° |
| C04 | C03 | C02 | C17 | 179.7° | 180.0° |
| C03 | C04 | C05 | H5 | 179.0° | 180.0° |
| C05 | S01 | C02 | C03 | 0.6° | 0.0° |
| C05 | S01 | C02 | C17 | 179.3° | 180.0° |
| C03 | C02 | S01 | C17 | 179.9° | 180.0° |
| C03 | C02 | C17 | N19 | 53.6° | 0.0° |
| C03 | C02 | C17 | N18 | 128.0° | 180.0° |
| S01 | C02 | C17 | N19 | 126.6° | 179.9° |
| S01 | C02 | C17 | N18 | 51.8° | 0.0° |
| S01 | C02 | C03 | H4 | 179.9° | 180.0° |
| C02 | S01 | C05 | H5 | 179.1° | 180.0° |
| C02 | C17 | N19 | N18 | 178.3° | 180.0° |
| C17 | C02 | C03 | H4 | 0.3° | 0.0° |
| C02 | C17 | N18 | H11 | 178.3° | 180.0° |
| C02 | C17 | N18 | H12 | 1.6° | 0.0° |
| C02 | C17 | N19 | H13 | 178.3° | 180.0° |
| N19 | C17 | N18 | H11 | 0.0° | 0.0° |
| N19 | C17 | N18 | H12 | 180.0° | 179.9° |
| C17 | N18 | H11 | H12 | 180.0° | 180.0° |
| N18 | C17 | N19 | H13 | 0.0° | 0.1° |
| H1 | C10 | C09 | H7 | 0.4° | 0.3° |
| H1 | C10 | C11 | H8 | 0.7° | 0.1° |
| H3 | C15 | C16 | H9 | 0.0° | 0.0° |
| H3 | C15 | C16 | H10 | 180.0° | 179.9° |
| H6 | C08 | C09 | H7 | 2.0° | 0.3° |
