KJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C04 | sing | 1.47Å | 1.47Å | |
| N03 | C02 | doub | 1.29Å | 1.46Å | |
| C04 | C05 | sing | 1.54Å | 1.48Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.51Å | 1.58Å | |
| C02 | N01 | sing | 1.37Å | 1.25Å | |
| C02 | N13 | sing | 1.37Å | 1.47Å | |
| C05 | N13 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N01 | H11 | sing | 0.97Å | 1.00Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | C02 | 107.4° | 110.1° |
| N03 | C04 | C05 | 108.3° | 104.0° |
| N03 | C04 | H1 | 109.8° | 110.6° |
| N03 | C04 | H2 | 109.7° | 110.6° |
| N03 | C02 | N01 | 126.1° | 122.9° |
| N03 | C02 | N13 | 108.4° | 114.3° |
| C04 | C05 | C06 | 108.6° | 110.7° |
| C04 | C05 | N13 | 107.3° | 103.3° |
| C05 | C04 | H1 | 109.8° | 110.5° |
| C05 | C04 | H2 | 109.8° | 110.5° |
| C04 | C05 | H3 | 110.0° | 110.6° |
| C05 | C06 | C07 | 116.0° | 109.5° |
| C06 | C05 | N13 | 111.0° | 110.7° |
| C06 | C05 | H3 | 109.2° | 110.7° |
| C05 | C06 | H4 | 107.8° | 109.5° |
| C05 | C06 | H5 | 107.8° | 109.4° |
| C06 | C07 | C08 | 118.1° | 120.0° |
| C06 | C07 | C12 | 122.3° | 120.0° |
| C07 | C06 | H4 | 107.8° | 109.5° |
| C07 | C06 | H5 | 107.8° | 109.5° |
| N01 | C02 | N13 | 125.5° | 122.8° |
| C02 | N01 | H11 | 120.0° | 120.0° |
| C02 | N01 | H12 | 120.0° | 120.0° |
| C02 | N13 | C05 | 108.6° | 108.4° |
| C02 | N13 | H13 | 125.7° | 125.8° |
| N13 | C05 | H3 | 110.5° | 110.6° |
| C05 | N13 | H13 | 125.7° | 125.8° |
| C07 | C08 | C09 | 121.0° | 120.0° |
| C08 | C07 | C12 | 119.6° | 120.0° |
| C07 | C08 | H6 | 119.5° | 120.0° |
| C08 | C09 | C10 | 119.7° | 120.0° |
| C09 | C08 | H6 | 119.5° | 120.0° |
| C08 | C09 | H7 | 120.2° | 120.0° |
| C07 | C12 | C11 | 119.9° | 120.0° |
| C07 | C12 | H10 | 120.0° | 120.1° |
| C09 | C10 | C11 | 119.7° | 120.0° |
| C10 | C09 | H7 | 120.2° | 120.0° |
| C09 | C10 | H8 | 120.2° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C12 | C11 | H9 | 119.9° | 120.0° |
| C11 | C12 | H10 | 120.1° | 119.9° |
| C11 | C10 | H8 | 120.1° | 120.0° |
| C10 | C11 | H9 | 119.9° | 120.1° |
| H1 | C04 | H2 | 109.5° | 110.5° |
| H4 | C06 | H5 | 109.4° | 109.4° |
| H11 | N01 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | C05 | H1 | 119.8° | 118.7° |
| N03 | C04 | C05 | H2 | 119.8° | 118.7° |
| N03 | C04 | C05 | C06 | 120.0° | 118.4° |
| C04 | N03 | C02 | N01 | 179.6° | 179.9° |
| C04 | N03 | C02 | N13 | 0.5° | 0.2° |
| N03 | C04 | C05 | N13 | 0.1° | 0.0° |
| N03 | C04 | H1 | H2 | 120.5° | 122.8° |
| N03 | C04 | C05 | H3 | 120.4° | 118.4° |
| C02 | N03 | C04 | C05 | 0.4° | 0.1° |
| N03 | C02 | N01 | N13 | 179.8° | 179.7° |
| N03 | C02 | N13 | C05 | 0.5° | 0.3° |
| C02 | N03 | C04 | H1 | 120.2° | 118.7° |
| C02 | N03 | C04 | H2 | 119.4° | 118.5° |
| N03 | C02 | N01 | H11 | 0.0° | 179.7° |
| N03 | C02 | N01 | H12 | 180.0° | 0.3° |
| N03 | C02 | N13 | H13 | 179.5° | 179.7° |
| C04 | C05 | C06 | N13 | 117.8° | 113.8° |
| C04 | C05 | C06 | H3 | 120.0° | 123.1° |
| C04 | C05 | C06 | C07 | 174.1° | 175.0° |
| C04 | C05 | N13 | C02 | 0.2° | 0.2° |
| C04 | C05 | N13 | H3 | 120.0° | 118.4° |
| C05 | C04 | H1 | H2 | 120.6° | 122.6° |
| C04 | C05 | C06 | H4 | 64.9° | 64.9° |
| C04 | C05 | C06 | H5 | 53.2° | 55.0° |
| C04 | C05 | N13 | H13 | 179.8° | 179.8° |
| C05 | C06 | C07 | H4 | 121.0° | 120.0° |
| C05 | C06 | C07 | H5 | 121.0° | 120.0° |
| C06 | C05 | N13 | C02 | 118.8° | 118.3° |
| C06 | C05 | N13 | H3 | 121.4° | 123.1° |
| C05 | C06 | C07 | C08 | 153.1° | 89.8° |
| C05 | C06 | C07 | C12 | 27.8° | 90.0° |
| C06 | C05 | C04 | H1 | 0.2° | 122.9° |
| C06 | C05 | C04 | H2 | 120.2° | 0.3° |
| C05 | C06 | H4 | H5 | 117.0° | 119.9° |
| C06 | C05 | N13 | H13 | 61.2° | 61.7° |
| C07 | C06 | C05 | N13 | 68.0° | 71.2° |
| C06 | C07 | C08 | C12 | 179.2° | 179.8° |
| C06 | C07 | C08 | C09 | 179.4° | 180.0° |
| C06 | C07 | C12 | C11 | 179.6° | 179.8° |
| C07 | C06 | C05 | H3 | 54.1° | 51.9° |
| C07 | C06 | H4 | H5 | 117.0° | 120.0° |
| C06 | C07 | C08 | H6 | 0.6° | 0.1° |
| C06 | C07 | C12 | H10 | 0.4° | 0.0° |
| N01 | C02 | N13 | C05 | 179.7° | 180.0° |
| C02 | N01 | H11 | H12 | 180.0° | 180.0° |
| N01 | C02 | N13 | H13 | 0.3° | 0.0° |
| C02 | N13 | C05 | H13 | 180.0° | 180.0° |
| C02 | N13 | C05 | H3 | 119.8° | 118.6° |
| N13 | C02 | N01 | H11 | 179.8° | 0.0° |
| N13 | C02 | N01 | H12 | 0.2° | 180.0° |
| N13 | C05 | C04 | H1 | 119.9° | 118.6° |
| N13 | C05 | C04 | H2 | 119.7° | 118.7° |
| N13 | C05 | C06 | H4 | 52.9° | 48.9° |
| N13 | C05 | C06 | H5 | 171.0° | 168.8° |
| C07 | C08 | C09 | H6 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.0° | 0.0° |
| C08 | C07 | C12 | C11 | 0.5° | 0.4° |
| C08 | C07 | C06 | H4 | 85.9° | 150.2° |
| C08 | C07 | C06 | H5 | 32.1° | 30.2° |
| C07 | C08 | C09 | H7 | 180.0° | 180.0° |
| C08 | C07 | C12 | H10 | 179.5° | 179.7° |
| C09 | C08 | C07 | C12 | 0.2° | 0.2° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.0° |
| C08 | C09 | C10 | H8 | 180.0° | 179.9° |
| C07 | C12 | C11 | H10 | 180.0° | 179.8° |
| C07 | C12 | C11 | C10 | 0.5° | 0.4° |
| C12 | C07 | C06 | H4 | 93.2° | 30.0° |
| C12 | C07 | C06 | H5 | 148.8° | 150.0° |
| C12 | C07 | C08 | H6 | 179.8° | 179.7° |
| C07 | C12 | C11 | H9 | 179.5° | 179.7° |
| C09 | C10 | C11 | C12 | 0.3° | 0.2° |
| C09 | C10 | C11 | H8 | 180.0° | 179.9° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C09 | C10 | C11 | H9 | 179.7° | 180.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.8° |
| C12 | C11 | C10 | H8 | 179.7° | 179.9° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | H10 | 179.5° | 179.7° |
| H1 | C04 | C05 | H3 | 119.7° | 0.2° |
| H2 | C04 | C05 | H3 | 0.6° | 122.9° |
| H3 | C05 | C06 | H4 | 175.1° | 172.0° |
| H3 | C05 | C06 | H5 | 66.8° | 68.1° |
| H3 | C05 | N13 | H13 | 60.2° | 61.4° |
| H6 | C08 | C09 | H7 | 0.0° | 0.1° |
| H7 | C09 | C10 | H8 | 0.0° | 0.1° |
| H8 | C10 | C11 | H9 | 0.3° | 0.1° |
| H9 | C11 | C12 | H10 | 0.5° | 0.1° |
