K7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | sing | 1.47Å | 1.45Å | |
| C15 | N16 | doub | 1.30Å | 1.32Å | Aromatic |
| C15 | N14 | sing | 1.36Å | 1.31Å | Aromatic |
| C17 | N14 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N16 | C12 | sing | 1.35Å | 1.33Å | Aromatic |
| N14 | C13 | sing | 1.37Å | 1.31Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.39Å | |
| S10 | C11 | sing | 1.76Å | 1.72Å | Aromatic |
| S10 | C09 | sing | 1.76Å | 1.71Å | Aromatic |
| N22 | C20 | sing | 1.38Å | 1.45Å | |
| C11 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C09 | C20 | sing | 1.47Å | 1.52Å | |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | N21 | doub | 1.31Å | 1.25Å | |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.41Å | |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 1.01Å | 1.00Å | |
| N19 | H192 | sing | 1.01Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 108.3° | 109.5° |
| N19 | C18 | H181 | 109.8° | 109.5° |
| N19 | C18 | H182 | 109.8° | 109.5° |
| C18 | N19 | H191 | 109.5° | 111.0° |
| C18 | N19 | H192 | 109.5° | 110.9° |
| N16 | C15 | N14 | 108.8° | 109.0° |
| C15 | N16 | C12 | 108.7° | 109.2° |
| N16 | C15 | H151 | 125.6° | 125.5° |
| C15 | N14 | C17 | 125.3° | 126.3° |
| C15 | N14 | C13 | 109.1° | 107.4° |
| N14 | C15 | H151 | 125.6° | 125.5° |
| N14 | C17 | C18 | 110.8° | 109.5° |
| C17 | N14 | C13 | 125.5° | 126.3° |
| N14 | C17 | H171 | 109.1° | 109.5° |
| N14 | C17 | H172 | 109.1° | 109.5° |
| C18 | C17 | H171 | 109.1° | 109.5° |
| C18 | C17 | H172 | 109.2° | 109.4° |
| C17 | C18 | H181 | 109.8° | 109.5° |
| C17 | C18 | H182 | 109.8° | 109.5° |
| N16 | C12 | C13 | 106.4° | 107.7° |
| N16 | C12 | C11 | 121.7° | 126.2° |
| N14 | C13 | C12 | 106.9° | 106.7° |
| N14 | C13 | H131 | 126.5° | 126.7° |
| C13 | C12 | C11 | 131.8° | 126.2° |
| C12 | C13 | H131 | 126.6° | 126.6° |
| C12 | C11 | S10 | 115.5° | 125.2° |
| C12 | C11 | C07 | 138.1° | 125.2° |
| C11 | S10 | C09 | 97.3° | 91.4° |
| S10 | C11 | C07 | 106.3° | 109.6° |
| S10 | C09 | C20 | 121.6° | 125.0° |
| S10 | C09 | C08 | 107.2° | 110.0° |
| N22 | C20 | C09 | 119.3° | 120.0° |
| N22 | C20 | N21 | 119.8° | 120.0° |
| C20 | N22 | H222 | 120.0° | 120.0° |
| C20 | N22 | H221 | 120.0° | 120.1° |
| C11 | C07 | C08 | 114.3° | 114.2° |
| C11 | C07 | C04 | 126.6° | 122.9° |
| C20 | C09 | C08 | 131.2° | 125.0° |
| C09 | C20 | N21 | 120.9° | 120.0° |
| C09 | C08 | C07 | 114.9° | 114.8° |
| C09 | C08 | H081 | 122.5° | 122.6° |
| C20 | N21 | H211 | 112.0° | 120.0° |
| C08 | C07 | C04 | 119.1° | 122.9° |
| C07 | C08 | H081 | 122.5° | 122.6° |
| C07 | C04 | C05 | 121.6° | 120.1° |
| C07 | C04 | C03 | 121.0° | 120.1° |
| C04 | C05 | C06 | 121.4° | 119.8° |
| C05 | C04 | C03 | 117.4° | 119.8° |
| C04 | C05 | H051 | 119.3° | 120.1° |
| C05 | C06 | C01 | 120.4° | 120.2° |
| C06 | C05 | H051 | 119.3° | 120.1° |
| C05 | C06 | H061 | 119.8° | 119.9° |
| C04 | C03 | C02 | 121.3° | 119.9° |
| C04 | C03 | H031 | 119.3° | 120.1° |
| C06 | C01 | C02 | 119.2° | 120.2° |
| C06 | C01 | H011 | 120.4° | 119.9° |
| C01 | C06 | H061 | 119.8° | 119.9° |
| C03 | C02 | C01 | 120.2° | 120.1° |
| C03 | C02 | H021 | 119.9° | 119.9° |
| C02 | C03 | H031 | 119.4° | 120.0° |
| C02 | C01 | H011 | 120.4° | 119.9° |
| C01 | C02 | H021 | 119.9° | 119.9° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| H191 | N19 | H192 | 109.5° | 111.0° |
| H222 | N22 | H221 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | N14 | 100.9° | 180.0° |
| N19 | C18 | C17 | H181 | 119.8° | 120.0° |
| N19 | C18 | C17 | H182 | 119.8° | 120.0° |
| N19 | C18 | C17 | H171 | 19.3° | 59.9° |
| N19 | C18 | C17 | H172 | 138.9° | 60.0° |
| N19 | C18 | H181 | H182 | 120.6° | 120.0° |
| C18 | N19 | H191 | H192 | 120.0° | 123.9° |
| N16 | C15 | N14 | H151 | 180.0° | 180.0° |
| N16 | C15 | N14 | C17 | 179.7° | 180.0° |
| N16 | C15 | N14 | C13 | 0.0° | 0.1° |
| C15 | N16 | C12 | C13 | 1.3° | 0.1° |
| C15 | N16 | C12 | C11 | 178.4° | 179.8° |
| C15 | N14 | C17 | C13 | 179.7° | 179.8° |
| C15 | N14 | C17 | C18 | 81.6° | 90.0° |
| N14 | C15 | N16 | C12 | 0.9° | 0.0° |
| C15 | N14 | C13 | C12 | 0.8° | 0.2° |
| C15 | N14 | C13 | H131 | 179.2° | 180.0° |
| C15 | N14 | C17 | H171 | 38.6° | 30.0° |
| C15 | N14 | C17 | H172 | 158.2° | 150.0° |
| N14 | C17 | C18 | H171 | 120.2° | 120.1° |
| N14 | C17 | C18 | H172 | 120.2° | 120.0° |
| C17 | N14 | C13 | C12 | 179.5° | 179.9° |
| C17 | N14 | C13 | H131 | 0.5° | 0.1° |
| C17 | N14 | C15 | H151 | 0.3° | 0.0° |
| N14 | C17 | H171 | H172 | 119.4° | 120.0° |
| N14 | C17 | C18 | H181 | 19.0° | 60.0° |
| N14 | C17 | C18 | H182 | 139.3° | 60.0° |
| C18 | C17 | N14 | C13 | 98.8° | 90.2° |
| C18 | C17 | H171 | H172 | 119.4° | 119.9° |
| C17 | C18 | H181 | H182 | 120.5° | 120.0° |
| C17 | C18 | N19 | H191 | 180.0° | 180.0° |
| C17 | C18 | N19 | H192 | 60.0° | 56.1° |
| N16 | C12 | C13 | N14 | 1.3° | 0.2° |
| N16 | C12 | C13 | C11 | 176.6° | 180.0° |
| N16 | C12 | C11 | S10 | 8.6° | 179.6° |
| N16 | C12 | C11 | C07 | 174.9° | 0.0° |
| N16 | C12 | C13 | H131 | 178.7° | 180.0° |
| C12 | N16 | C15 | H151 | 179.1° | 180.0° |
| N14 | C13 | C12 | H131 | 180.0° | 179.8° |
| N14 | C13 | C12 | C11 | 177.9° | 179.7° |
| C13 | N14 | C15 | H151 | 180.0° | 179.8° |
| C13 | N14 | C17 | H171 | 141.1° | 149.8° |
| C13 | N14 | C17 | H172 | 21.4° | 29.8° |
| C13 | C12 | C11 | S10 | 167.6° | 0.4° |
| C13 | C12 | C11 | C07 | 9.0° | 180.0° |
| C12 | C11 | S10 | C07 | 177.6° | 179.7° |
| C12 | C11 | S10 | C09 | 178.2° | 180.0° |
| C12 | C11 | C07 | C08 | 177.7° | 180.0° |
| C12 | C11 | C07 | C04 | 3.3° | 0.2° |
| C11 | C12 | C13 | H131 | 2.1° | 0.0° |
| C11 | S10 | C09 | C20 | 179.9° | 179.9° |
| C11 | S10 | C09 | C08 | 0.2° | 0.2° |
| S10 | C11 | C07 | C08 | 0.9° | 0.3° |
| S10 | C11 | C07 | C04 | 180.0° | 179.9° |
| S10 | C09 | C20 | N22 | 5.4° | 0.0° |
| C09 | S10 | C11 | C07 | 0.6° | 0.3° |
| S10 | C09 | C20 | C08 | 179.9° | 179.9° |
| S10 | C09 | C20 | N21 | 173.8° | 180.0° |
| S10 | C09 | C08 | C07 | 0.4° | 0.0° |
| S10 | C09 | C08 | H081 | 179.6° | 180.0° |
| N22 | C20 | C09 | N21 | 179.2° | 180.0° |
| N22 | C20 | C09 | C08 | 174.7° | 180.0° |
| N22 | C20 | N21 | H211 | 179.2° | 180.0° |
| C20 | N22 | H222 | H221 | 180.0° | 179.9° |
| C11 | C07 | C08 | C09 | 0.9° | 0.2° |
| C11 | C07 | C08 | C04 | 179.1° | 179.8° |
| C11 | C07 | C04 | C05 | 43.3° | 50.3° |
| C11 | C07 | C04 | C03 | 137.8° | 129.7° |
| C11 | C07 | C08 | H081 | 179.1° | 179.8° |
| C20 | C09 | C08 | C07 | 179.5° | 180.0° |
| C20 | C09 | C08 | H081 | 0.5° | 0.0° |
| C09 | C20 | N21 | H211 | 0.0° | 0.0° |
| C09 | C20 | N22 | H222 | 179.2° | 180.0° |
| C09 | C20 | N22 | H221 | 0.8° | 0.1° |
| C08 | C09 | C20 | N21 | 6.1° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C04 | 180.0° | 180.0° |
| N21 | C20 | N22 | H222 | 0.0° | 0.1° |
| N21 | C20 | N22 | H221 | 180.0° | 180.0° |
| C08 | C07 | C04 | C05 | 137.7° | 130.0° |
| C08 | C07 | C04 | C03 | 41.2° | 50.0° |
| C07 | C04 | C05 | C03 | 178.9° | 180.0° |
| C07 | C04 | C05 | C06 | 179.8° | 179.8° |
| C07 | C04 | C03 | C02 | 179.8° | 180.0° |
| C07 | C04 | C03 | H031 | 0.2° | 0.0° |
| C07 | C04 | C05 | H051 | 0.2° | 0.0° |
| C04 | C07 | C08 | H081 | 0.0° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.8° |
| C04 | C05 | C06 | C01 | 0.7° | 0.5° |
| C05 | C04 | C03 | C02 | 0.9° | 0.0° |
| C05 | C04 | C03 | H031 | 179.1° | 180.0° |
| C04 | C05 | C06 | H061 | 179.3° | 180.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.3° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.3° | 0.5° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C04 | C03 | C02 | H021 | 179.4° | 180.0° |
| C03 | C04 | C05 | H051 | 179.1° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.3° |
| C06 | C01 | C02 | H011 | 180.0° | 179.8° |
| C06 | C01 | C02 | H021 | 179.8° | 179.8° |
| C01 | C06 | C05 | H051 | 179.4° | 179.7° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | H011 | 179.8° | 180.0° |
| C01 | C02 | C03 | H031 | 179.4° | 180.0° |
| C02 | C01 | C06 | H061 | 179.7° | 180.0° |
| H171 | C17 | C18 | H181 | 139.1° | 60.1° |
| H171 | C17 | C18 | H182 | 100.5° | 180.0° |
| H172 | C17 | C18 | H181 | 101.2° | 180.0° |
| H172 | C17 | C18 | H182 | 19.1° | 60.0° |
| H011 | C01 | C02 | H021 | 0.2° | 0.0° |
| H011 | C01 | C06 | H061 | 0.3° | 0.2° |
| H021 | C02 | C03 | H031 | 0.6° | 0.0° |
| H051 | C05 | C06 | H061 | 0.6° | 0.2° |
| H181 | C18 | N19 | H191 | 60.2° | 60.0° |
| H181 | C18 | N19 | H192 | 59.9° | 176.1° |
| H182 | C18 | N19 | H191 | 60.2° | 59.9° |
| H182 | C18 | N19 | H192 | 179.8° | 63.9° |
