N5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C10 | sing | 1.48Å | 1.48Å | |
| C14 | C15 | doub | 1.33Å | 1.34Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C16 | N17 | sing | 1.46Å | 1.44Å | |
| C08 | C07 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.45Å | |
| C04 | C03 | doub | 1.39Å | 1.45Å | Aromatic |
| C01 | F13 | sing | 1.35Å | 1.29Å | |
| C01 | C02 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| N17 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| N17 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.39Å | Aromatic |
| C21 | N20 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | N20 | sing | 1.34Å | 1.39Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | 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 | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C14 | C15 | 128.1° | 120.0° |
| C14 | C10 | C09 | 123.5° | 120.0° |
| C14 | C10 | C11 | 122.0° | 120.0° |
| C10 | C14 | H141 | 116.0° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H151 | 120.0° | 120.1° |
| C15 | C14 | H141 | 115.9° | 120.1° |
| C06 | C05 | C04 | 123.9° | 119.9° |
| C05 | C06 | C01 | 121.0° | 120.1° |
| C06 | C05 | H051 | 118.0° | 120.1° |
| C05 | C06 | H061 | 119.5° | 120.0° |
| C05 | C04 | C07 | 120.3° | 120.1° |
| C05 | C04 | C03 | 114.5° | 119.8° |
| C04 | C05 | H051 | 118.0° | 120.0° |
| C10 | C09 | C08 | 122.4° | 120.0° |
| C09 | C10 | C11 | 114.5° | 120.0° |
| C10 | C09 | H091 | 118.8° | 120.0° |
| C09 | C08 | C07 | 123.7° | 120.0° |
| C09 | C08 | H081 | 118.2° | 120.0° |
| C08 | C09 | H091 | 118.8° | 120.0° |
| C06 | C01 | F13 | 120.6° | 119.9° |
| C06 | C01 | C02 | 117.5° | 120.2° |
| C01 | C06 | H061 | 119.5° | 119.9° |
| C10 | C11 | C12 | 122.6° | 120.0° |
| C10 | C11 | H111 | 118.7° | 120.0° |
| C15 | C16 | N17 | 116.5° | 109.4° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | H161 | 107.7° | 109.5° |
| C15 | C16 | H162 | 107.7° | 109.4° |
| C16 | N17 | C18 | 127.1° | 126.4° |
| C16 | N17 | C21 | 126.5° | 126.4° |
| N17 | C16 | H161 | 107.7° | 109.6° |
| N17 | C16 | H162 | 107.7° | 109.5° |
| C08 | C07 | C12 | 113.2° | 120.0° |
| C08 | C07 | C04 | 121.2° | 120.0° |
| C07 | C08 | H081 | 118.1° | 120.0° |
| C11 | C12 | C07 | 123.5° | 120.0° |
| C12 | C11 | H111 | 118.7° | 120.0° |
| C11 | C12 | H121 | 118.3° | 120.0° |
| C12 | C07 | C04 | 125.6° | 120.0° |
| C07 | C12 | H121 | 118.2° | 120.0° |
| C07 | C04 | C03 | 125.2° | 120.1° |
| C04 | C03 | C02 | 122.8° | 119.9° |
| C04 | C03 | H031 | 118.6° | 120.0° |
| F13 | C01 | C02 | 121.9° | 119.9° |
| C01 | C02 | C03 | 120.3° | 120.1° |
| C01 | C02 | H021 | 119.8° | 119.9° |
| C03 | C02 | H021 | 119.8° | 120.0° |
| C02 | C03 | H031 | 118.6° | 120.1° |
| C18 | N17 | C21 | 106.4° | 107.2° |
| N17 | C18 | C19 | 106.5° | 106.8° |
| N17 | C18 | H181 | 126.8° | 126.6° |
| N17 | C21 | N20 | 111.3° | 108.7° |
| N17 | C21 | H211 | 124.4° | 125.7° |
| C18 | C19 | N20 | 109.9° | 108.0° |
| C19 | C18 | H181 | 126.7° | 126.6° |
| C18 | C19 | H191 | 125.0° | 126.0° |
| C21 | N20 | C19 | 105.8° | 109.3° |
| N20 | C21 | H211 | 124.4° | 125.6° |
| N20 | C19 | H191 | 125.0° | 126.0° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C14 | C15 | H141 | 180.0° | 180.0° |
| C14 | C10 | C09 | C11 | 179.4° | 179.7° |
| C14 | C10 | C09 | C08 | 179.9° | 179.7° |
| C10 | C14 | C15 | C16 | 179.3° | 180.0° |
| C14 | C10 | C11 | C12 | 180.0° | 179.7° |
| C10 | C14 | C15 | H151 | 0.7° | 0.0° |
| C14 | C10 | C09 | H091 | 0.1° | 0.3° |
| C14 | C10 | C11 | H111 | 0.0° | 0.3° |
| C15 | C14 | C10 | C09 | 161.3° | 0.3° |
| C15 | C14 | C10 | C11 | 19.4° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | N17 | 119.9° | 125.0° |
| C14 | C15 | C16 | H161 | 119.1° | 114.9° |
| C14 | C15 | C16 | H162 | 1.1° | 5.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.5° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C06 | C05 | C04 | C07 | 179.1° | 179.8° |
| C06 | C05 | C04 | C03 | 0.7° | 0.3° |
| C05 | C06 | C01 | F13 | 179.6° | 179.7° |
| C05 | C06 | C01 | C02 | 0.7° | 0.5° |
| C04 | C05 | C06 | C01 | 0.9° | 0.5° |
| C05 | C04 | C07 | C08 | 153.2° | 180.0° |
| C05 | C04 | C07 | C12 | 28.1° | 0.0° |
| C05 | C04 | C07 | C03 | 179.8° | 179.9° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | H031 | 179.6° | 180.0° |
| C04 | C05 | C06 | H061 | 179.1° | 180.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 1.1° | 0.0° |
| C09 | C10 | C11 | C12 | 0.6° | 0.0° |
| C10 | C09 | C08 | H081 | 178.9° | 180.0° |
| C09 | C10 | C11 | H111 | 179.4° | 180.0° |
| C09 | C10 | C14 | H141 | 18.7° | 179.7° |
| C08 | C09 | C10 | C11 | 0.6° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C12 | 1.4° | 0.0° |
| C09 | C08 | C07 | C04 | 179.7° | 179.9° |
| C06 | C01 | F13 | C02 | 178.8° | 179.8° |
| C06 | C01 | C02 | C03 | 0.4° | 0.3° |
| C06 | C01 | C02 | H021 | 179.6° | 179.8° |
| C01 | C06 | C05 | H051 | 179.1° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C07 | 1.1° | 0.0° |
| C11 | C10 | C09 | H091 | 179.4° | 180.0° |
| C10 | C11 | C12 | H121 | 178.8° | 179.9° |
| C11 | C10 | C14 | H141 | 160.6° | 0.0° |
| C15 | C16 | N17 | H161 | 121.0° | 120.0° |
| C15 | C16 | N17 | H162 | 121.0° | 119.9° |
| C15 | C16 | N17 | C18 | 129.4° | 90.1° |
| C15 | C16 | N17 | C21 | 50.8° | 90.0° |
| C16 | C15 | C14 | H141 | 0.7° | 0.0° |
| C15 | C16 | H161 | H162 | 116.8° | 119.9° |
| C16 | N17 | C18 | C21 | 179.9° | 179.9° |
| C16 | N17 | C18 | C19 | 179.6° | 179.8° |
| C16 | N17 | C21 | N20 | 179.5° | 179.9° |
| N17 | C16 | C15 | H151 | 60.1° | 55.1° |
| C16 | N17 | C21 | H211 | 0.5° | 0.2° |
| N17 | C16 | H161 | H162 | 116.8° | 120.0° |
| C16 | N17 | C18 | H181 | 0.4° | 0.2° |
| C08 | C07 | C12 | C11 | 1.5° | 0.0° |
| C08 | C07 | C12 | C04 | 178.8° | 179.9° |
| C08 | C07 | C04 | C03 | 27.0° | 0.1° |
| C07 | C08 | C09 | H091 | 178.9° | 180.0° |
| C08 | C07 | C12 | H121 | 178.5° | 179.9° |
| C11 | C12 | C07 | H121 | 180.0° | 179.9° |
| C11 | C12 | C07 | C04 | 179.8° | 179.9° |
| C12 | C07 | C04 | C03 | 151.7° | 180.0° |
| C12 | C07 | C08 | H081 | 178.5° | 180.0° |
| C07 | C12 | C11 | H111 | 178.8° | 180.0° |
| C07 | C04 | C03 | C02 | 179.5° | 180.0° |
| C07 | C04 | C03 | H031 | 0.5° | 0.0° |
| C07 | C04 | C05 | H051 | 0.9° | 0.3° |
| C04 | C07 | C08 | H081 | 0.3° | 0.0° |
| C04 | C07 | C12 | H121 | 0.3° | 0.0° |
| C04 | C03 | C02 | C01 | 0.3° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | H021 | 179.8° | 179.9° |
| C03 | C04 | C05 | H051 | 179.3° | 179.8° |
| F13 | C01 | C02 | C03 | 179.3° | 180.0° |
| F13 | C01 | C02 | H021 | 0.8° | 0.1° |
| F13 | C01 | C06 | H061 | 0.4° | 0.3° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | H031 | 179.7° | 180.0° |
| C02 | C01 | C06 | H061 | 179.3° | 180.0° |
| N17 | C18 | C19 | H181 | 180.0° | 179.6° |
| C18 | N17 | C21 | N20 | 0.4° | 0.0° |
| N17 | C18 | C19 | N20 | 0.0° | 0.4° |
| C18 | N17 | C21 | H211 | 179.6° | 179.7° |
| C18 | N17 | C16 | H161 | 8.4° | 30.0° |
| C18 | N17 | C16 | H162 | 109.6° | 150.0° |
| N17 | C18 | C19 | H191 | 180.0° | 179.5° |
| C21 | N17 | C18 | C19 | 0.2° | 0.3° |
| N17 | C21 | N20 | H211 | 180.0° | 179.7° |
| N17 | C21 | N20 | C19 | 0.4° | 0.2° |
| C21 | N17 | C16 | H161 | 171.8° | 149.9° |
| C21 | N17 | C16 | H162 | 70.2° | 29.9° |
| C21 | N17 | C18 | H181 | 179.8° | 179.9° |
| C18 | C19 | N20 | C21 | 0.2° | 0.4° |
| C18 | C19 | N20 | H191 | 180.0° | 180.0° |
| C21 | N20 | C19 | H191 | 179.8° | 179.5° |
| C19 | N20 | C21 | H211 | 179.6° | 180.0° |
| N20 | C19 | C18 | H181 | 180.0° | 180.0° |
| H151 | C15 | C14 | H141 | 179.3° | 180.0° |
| H151 | C15 | C16 | H161 | 60.9° | 65.0° |
| H151 | C15 | C16 | H162 | 178.9° | 175.0° |
| H021 | C02 | C03 | H031 | 0.3° | 0.1° |
| H051 | C05 | C06 | H061 | 0.9° | 0.5° |
| H081 | C08 | C09 | H091 | 1.1° | 0.0° |
| H111 | C11 | C12 | H121 | 1.2° | 0.1° |
| H181 | C18 | C19 | H191 | 0.0° | 0.0° |
