N5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F04 | C02 | sing | 1.40Å | 1.36Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | N14 | sing | 1.46Å | 1.46Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.53Å | |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C02 | sing | 1.51Å | 1.53Å | |
| C05 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | F01 | sing | 1.40Å | 1.36Å | |
| C02 | F03 | sing | 1.40Å | 1.36Å | |
| C18 | N14 | sing | 1.35Å | 1.34Å | Aromatic |
| C18 | N17 | doub | 1.31Å | 1.34Å | Aromatic |
| N14 | C15 | sing | 1.37Å | 1.31Å | Aromatic |
| N17 | C16 | sing | 1.34Å | 1.31Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.36Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| 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) |
| F04 | C02 | C05 | 113.5° | 109.5° |
| F04 | C02 | F01 | 107.2° | 109.5° |
| F04 | C02 | F03 | 110.0° | 109.5° |
| C20 | C19 | C12 | 120.3° | 120.1° |
| C19 | C20 | C09 | 119.4° | 119.8° |
| C19 | C20 | H201 | 120.3° | 120.1° |
| C20 | C19 | H191 | 119.9° | 119.9° |
| C19 | C12 | C13 | 121.0° | 119.8° |
| C19 | C12 | C11 | 120.1° | 120.3° |
| C12 | C19 | H191 | 119.9° | 120.0° |
| C20 | C09 | C08 | 122.7° | 120.1° |
| C20 | C09 | C10 | 120.0° | 119.8° |
| C09 | C20 | H201 | 120.3° | 120.1° |
| C12 | C13 | N14 | 110.2° | 109.5° |
| C13 | C12 | C11 | 118.9° | 119.9° |
| C12 | C13 | H132 | 109.3° | 109.5° |
| C12 | C13 | H131 | 109.3° | 109.4° |
| C13 | N14 | C18 | 125.3° | 126.4° |
| C13 | N14 | C15 | 126.4° | 126.4° |
| N14 | C13 | H132 | 109.3° | 109.5° |
| N14 | C13 | H131 | 109.3° | 109.5° |
| C12 | C11 | C10 | 119.8° | 120.1° |
| C12 | C11 | H111 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.4° | 119.8° |
| C07 | C06 | C05 | 121.1° | 120.1° |
| C07 | C06 | H061 | 119.5° | 119.9° |
| C06 | C07 | H071 | 119.8° | 120.1° |
| C07 | C08 | C09 | 120.2° | 120.1° |
| C07 | C08 | C21 | 119.1° | 119.8° |
| C08 | C07 | H071 | 119.8° | 120.1° |
| C08 | C09 | C10 | 117.1° | 120.1° |
| C09 | C08 | C21 | 120.6° | 120.1° |
| C09 | C10 | C11 | 120.3° | 119.9° |
| C09 | C10 | H101 | 119.8° | 120.1° |
| C06 | C05 | C02 | 119.2° | 119.9° |
| C06 | C05 | C22 | 118.7° | 120.3° |
| C05 | C06 | H061 | 119.4° | 120.0° |
| C08 | C21 | C22 | 120.3° | 119.9° |
| C08 | C21 | H211 | 119.8° | 120.1° |
| C11 | C10 | H101 | 119.8° | 120.0° |
| C10 | C11 | H111 | 120.1° | 120.0° |
| C02 | C05 | C22 | 122.1° | 119.8° |
| C05 | C02 | F01 | 110.2° | 109.5° |
| C05 | C02 | F03 | 108.0° | 109.5° |
| C05 | C22 | C21 | 120.4° | 120.1° |
| C05 | C22 | H221 | 119.8° | 120.0° |
| C22 | C21 | H211 | 119.8° | 120.0° |
| C21 | C22 | H221 | 119.8° | 119.9° |
| F01 | C02 | F03 | 107.8° | 109.4° |
| N14 | C18 | N17 | 108.2° | 108.7° |
| C18 | N14 | C15 | 108.3° | 107.2° |
| N14 | C18 | H181 | 125.9° | 125.6° |
| C18 | N17 | C16 | 107.3° | 109.2° |
| N17 | C18 | H181 | 125.9° | 125.6° |
| N14 | C15 | C16 | 107.3° | 106.8° |
| N14 | C15 | H151 | 126.4° | 126.6° |
| N17 | C16 | C15 | 108.8° | 108.0° |
| N17 | C16 | H161 | 125.6° | 126.0° |
| C16 | C15 | H151 | 126.3° | 126.6° |
| C15 | C16 | H161 | 125.6° | 125.9° |
| H132 | C13 | H131 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F04 | C02 | C05 | C06 | 99.7° | 150.0° |
| F04 | C02 | C05 | F01 | 120.2° | 120.0° |
| F04 | C02 | C05 | F03 | 122.2° | 120.0° |
| F04 | C02 | C05 | C22 | 81.2° | 30.0° |
| F04 | C02 | F01 | F03 | 118.3° | 120.0° |
| C20 | C19 | C12 | H191 | 180.0° | 179.8° |
| C19 | C20 | C09 | H201 | 180.0° | 180.0° |
| C20 | C19 | C12 | C13 | 179.6° | 179.7° |
| C20 | C19 | C12 | C11 | 0.0° | 0.2° |
| C19 | C20 | C09 | C08 | 177.7° | 180.0° |
| C19 | C20 | C09 | C10 | 2.8° | 0.0° |
| C12 | C19 | C20 | C09 | 1.4° | 0.3° |
| C19 | C12 | C13 | C11 | 179.6° | 180.0° |
| C19 | C12 | C13 | N14 | 66.2° | 90.0° |
| C19 | C12 | C11 | C10 | 0.1° | 0.0° |
| C19 | C12 | C13 | H132 | 173.7° | 30.0° |
| C19 | C12 | C13 | H131 | 54.0° | 150.0° |
| C12 | C19 | C20 | H201 | 178.6° | 179.7° |
| C19 | C12 | C11 | H111 | 179.9° | 180.0° |
| C20 | C09 | C08 | C07 | 158.8° | 180.0° |
| C20 | C09 | C08 | C10 | 175.1° | 180.0° |
| C20 | C09 | C08 | C21 | 26.2° | 0.5° |
| C20 | C09 | C10 | C11 | 2.7° | 0.2° |
| C20 | C09 | C10 | H101 | 177.3° | 180.0° |
| C09 | C20 | C19 | H191 | 178.6° | 180.0° |
| C12 | C13 | N14 | H132 | 120.1° | 120.0° |
| C12 | C13 | N14 | H131 | 120.1° | 119.9° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C12 | C13 | N14 | C18 | 111.3° | 90.0° |
| C12 | C13 | N14 | C15 | 69.1° | 90.0° |
| C12 | C13 | H132 | H131 | 119.6° | 120.0° |
| C13 | C12 | C11 | H111 | 0.3° | 0.1° |
| C13 | C12 | C19 | H191 | 0.4° | 0.0° |
| N14 | C13 | C12 | C11 | 113.4° | 90.0° |
| C13 | N14 | C18 | C15 | 179.7° | 180.0° |
| C13 | N14 | C18 | N17 | 179.7° | 179.7° |
| C13 | N14 | C15 | C16 | 179.9° | 180.0° |
| N14 | C13 | H132 | H131 | 119.7° | 120.0° |
| C13 | N14 | C15 | H151 | 0.1° | 0.3° |
| C13 | N14 | C18 | H181 | 0.3° | 0.0° |
| C12 | C11 | C10 | C09 | 1.2° | 0.3° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | H101 | 178.8° | 180.0° |
| C11 | C12 | C13 | H132 | 6.7° | 150.0° |
| C11 | C12 | C13 | H131 | 126.5° | 30.0° |
| C11 | C12 | C19 | H191 | 179.9° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 178.5° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C07 | C08 | C21 | 3.3° | 0.5° |
| C07 | C06 | C05 | C02 | 178.3° | 180.0° |
| C07 | C06 | C05 | C22 | 0.8° | 0.0° |
| C07 | C08 | C09 | C21 | 175.1° | 179.5° |
| C07 | C08 | C09 | C10 | 26.2° | 0.0° |
| C08 | C07 | C06 | C05 | 2.6° | 0.2° |
| C07 | C08 | C21 | C22 | 2.3° | 0.5° |
| C07 | C08 | C21 | H211 | 177.6° | 179.8° |
| C08 | C07 | C06 | H061 | 177.4° | 179.7° |
| C08 | C09 | C10 | C11 | 177.9° | 179.8° |
| C09 | C08 | C21 | C22 | 177.5° | 180.0° |
| C08 | C09 | C10 | H101 | 2.1° | 0.0° |
| C08 | C09 | C20 | H201 | 2.3° | 0.0° |
| C09 | C08 | C21 | H211 | 2.5° | 0.3° |
| C09 | C08 | C07 | H071 | 1.5° | 0.2° |
| C10 | C09 | C08 | C21 | 148.9° | 179.5° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C10 | C09 | C20 | H201 | 177.2° | 180.0° |
| C09 | C10 | C11 | H111 | 178.8° | 179.8° |
| C06 | C05 | C02 | C22 | 179.1° | 180.0° |
| C06 | C05 | C22 | C21 | 0.2° | 0.0° |
| C06 | C05 | C02 | F01 | 20.6° | 90.0° |
| C06 | C05 | C02 | F03 | 138.1° | 30.0° |
| C06 | C05 | C22 | H221 | 179.8° | 180.0° |
| C05 | C06 | C07 | H071 | 177.4° | 180.0° |
| C08 | C21 | C22 | C05 | 0.6° | 0.3° |
| C08 | C21 | C22 | H211 | 180.0° | 179.7° |
| C08 | C21 | C22 | H221 | 179.4° | 179.8° |
| C21 | C08 | C07 | H071 | 176.7° | 179.7° |
| C02 | C05 | C22 | C21 | 179.3° | 180.0° |
| C05 | C02 | F01 | F03 | 117.7° | 120.0° |
| C02 | C05 | C22 | H221 | 0.7° | 0.1° |
| C02 | C05 | C06 | H061 | 1.7° | 0.0° |
| C05 | C22 | C21 | H221 | 180.0° | 179.9° |
| C22 | C05 | C02 | F01 | 158.6° | 90.0° |
| C22 | C05 | C02 | F03 | 41.0° | 150.0° |
| C05 | C22 | C21 | H211 | 179.4° | 180.0° |
| C22 | C05 | C06 | H061 | 179.2° | 179.9° |
| N14 | C18 | N17 | H181 | 180.0° | 179.7° |
| N14 | C18 | N17 | C16 | 0.2° | 0.5° |
| C18 | N14 | C15 | C16 | 0.2° | 0.0° |
| C18 | N14 | C13 | H132 | 128.6° | 30.0° |
| C18 | N14 | C13 | H131 | 8.8° | 150.1° |
| C18 | N14 | C15 | H151 | 179.7° | 179.7° |
| N17 | C18 | N14 | C15 | 0.0° | 0.3° |
| C18 | N17 | C16 | C15 | 0.4° | 0.5° |
| C18 | N17 | C16 | H161 | 179.6° | 179.6° |
| N14 | C15 | C16 | N17 | 0.4° | 0.3° |
| N14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C15 | N14 | C13 | H132 | 51.0° | 150.0° |
| C15 | N14 | C13 | H131 | 170.8° | 29.9° |
| N14 | C15 | C16 | H161 | 179.6° | 179.8° |
| C15 | N14 | C18 | H181 | 180.0° | 180.0° |
| N17 | C16 | C15 | H161 | 180.0° | 179.9° |
| N17 | C16 | C15 | H151 | 179.6° | 180.0° |
| C16 | N17 | C18 | H181 | 179.8° | 179.8° |
| H101 | C10 | C11 | H111 | 1.2° | 0.0° |
| H151 | C15 | C16 | H161 | 0.4° | 0.1° |
| H201 | C20 | C19 | H191 | 1.4° | 0.0° |
| H211 | C21 | C22 | H221 | 0.6° | 0.1° |
| H061 | C06 | C07 | H071 | 2.6° | 0.1° |
