7V7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N09 | sing | 1.47Å | 1.51Å | |
| C08 | N09 | sing | 1.47Å | 1.49Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| N09 | C10 | sing | 1.47Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C11 | sing | 1.53Å | 1.55Å | |
| C06 | N05 | sing | 1.47Å | 1.49Å | |
| C02 | N05 | sing | 1.35Å | 1.40Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| N05 | C20 | sing | 1.40Å | 1.44Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H171 | 120.1° | 120.0° |
| C17 | C16 | H161 | 119.9° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C16 | C15 | H151 | 120.1° | 120.0° |
| C15 | C16 | H161 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | H171 | 120.0° | 120.0° |
| C17 | C18 | H181 | 119.9° | 120.0° |
| C15 | C14 | C19 | 119.8° | 120.0° |
| C15 | C14 | C13 | 120.6° | 120.0° |
| C14 | C15 | H151 | 120.1° | 120.0° |
| C18 | C19 | C14 | 120.1° | 120.0° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C19 | C14 | C13 | 119.5° | 120.0° |
| C14 | C19 | H191 | 119.9° | 120.0° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.5° |
| C14 | C13 | H132 | 108.9° | 109.4° |
| C13 | C12 | N09 | 108.3° | 109.5° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C13 | C12 | H122 | 109.8° | 109.4° |
| C13 | C12 | H121 | 109.8° | 109.4° |
| C12 | N09 | C08 | 107.2° | 111.0° |
| C12 | N09 | C10 | 110.8° | 111.0° |
| N09 | C12 | H122 | 109.8° | 109.5° |
| N09 | C12 | H121 | 109.8° | 109.5° |
| N09 | C08 | C07 | 113.8° | 109.5° |
| C08 | N09 | C10 | 113.6° | 111.2° |
| N09 | C08 | H082 | 108.4° | 109.5° |
| N09 | C08 | H081 | 108.4° | 109.5° |
| C08 | C07 | C06 | 112.6° | 109.3° |
| C08 | C07 | H072 | 108.7° | 109.5° |
| C08 | C07 | H071 | 108.7° | 109.6° |
| C07 | C08 | H082 | 108.4° | 109.4° |
| C07 | C08 | H081 | 108.4° | 109.4° |
| N09 | C10 | C11 | 114.8° | 109.6° |
| N09 | C10 | H102 | 108.1° | 109.5° |
| N09 | C10 | H101 | 108.1° | 109.4° |
| C10 | C11 | C06 | 109.9° | 109.2° |
| C11 | C10 | H102 | 108.1° | 109.4° |
| C11 | C10 | H101 | 108.1° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| O01 | C02 | N05 | 121.8° | 120.0° |
| O01 | C02 | C03 | 117.0° | 120.0° |
| C07 | C06 | C11 | 107.3° | 109.2° |
| C07 | C06 | N05 | 112.1° | 109.5° |
| C07 | C06 | H061 | 108.2° | 109.6° |
| C06 | C07 | H072 | 108.7° | 109.5° |
| C06 | C07 | H071 | 108.7° | 109.5° |
| C11 | C06 | N05 | 112.6° | 109.5° |
| C11 | C06 | H061 | 107.9° | 109.5° |
| C06 | C11 | H112 | 109.3° | 109.5° |
| C06 | C11 | H111 | 109.3° | 109.5° |
| C06 | N05 | C02 | 121.9° | 120.0° |
| C06 | N05 | C20 | 116.8° | 120.0° |
| N05 | C06 | H061 | 108.6° | 109.5° |
| N05 | C02 | C03 | 121.2° | 120.0° |
| C02 | N05 | C20 | 121.3° | 120.0° |
| C02 | C03 | C04 | 110.2° | 109.5° |
| C02 | C03 | H031 | 109.3° | 109.5° |
| C02 | C03 | H032 | 109.3° | 109.5° |
| N05 | C20 | C21 | 121.5° | 120.1° |
| N05 | C20 | C25 | 120.4° | 120.1° |
| C04 | C03 | H031 | 109.3° | 109.5° |
| C04 | C03 | H032 | 109.3° | 109.5° |
| C03 | C04 | H043 | 109.5° | 109.5° |
| C03 | C04 | H041 | 109.5° | 109.5° |
| C03 | C04 | H042 | 109.5° | 109.4° |
| C21 | C20 | C25 | 118.1° | 119.9° |
| C20 | C21 | C22 | 120.0° | 119.9° |
| C20 | C21 | H211 | 120.0° | 120.1° |
| C20 | C25 | C24 | 121.6° | 119.9° |
| C20 | C25 | H251 | 119.2° | 120.0° |
| C21 | C22 | C23 | 121.3° | 120.0° |
| C22 | C21 | H211 | 120.0° | 120.0° |
| C21 | C22 | H221 | 119.4° | 120.0° |
| C25 | C24 | C23 | 120.6° | 120.1° |
| C25 | C24 | H241 | 119.7° | 119.9° |
| C24 | C25 | H251 | 119.2° | 120.0° |
| C22 | C23 | C24 | 118.4° | 120.2° |
| C23 | C22 | H221 | 119.4° | 120.0° |
| C22 | C23 | H231 | 120.8° | 119.9° |
| C23 | C24 | H241 | 119.7° | 120.0° |
| C24 | C23 | H231 | 120.8° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H043 | C04 | H041 | 109.4° | 109.5° |
| H043 | C04 | H042 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.6° |
| H122 | C12 | H121 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.2° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.8° |
| C17 | C16 | C15 | H151 | 179.9° | 179.7° |
| C16 | C17 | C18 | H181 | 180.0° | 179.2° |
| C15 | C16 | C17 | C18 | 0.0° | 0.5° |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C16 | C15 | C14 | C19 | 0.2° | 0.3° |
| C16 | C15 | C14 | C13 | 179.8° | 179.7° |
| C15 | C16 | C17 | H171 | 180.0° | 179.7° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.1° | 0.5° |
| C18 | C17 | C16 | H161 | 180.0° | 179.4° |
| C17 | C18 | C19 | H191 | 179.9° | 179.5° |
| C15 | C14 | C19 | C18 | 0.2° | 0.0° |
| C15 | C14 | C19 | C13 | 179.5° | 180.0° |
| C15 | C14 | C13 | C12 | 70.8° | 90.0° |
| C15 | C14 | C13 | H131 | 168.8° | 30.0° |
| C15 | C14 | C13 | H132 | 49.5° | 150.0° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C15 | C14 | C19 | H191 | 179.8° | 180.0° |
| C18 | C19 | C14 | H191 | 180.0° | 180.0° |
| C18 | C19 | C14 | C13 | 179.8° | 180.0° |
| C19 | C18 | C17 | H171 | 180.0° | 180.0° |
| C19 | C14 | C13 | C12 | 108.7° | 90.0° |
| C19 | C14 | C13 | H131 | 11.6° | 150.0° |
| C19 | C14 | C13 | H132 | 131.0° | 30.0° |
| C19 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C19 | C18 | H181 | 179.9° | 179.5° |
| C14 | C13 | C12 | H131 | 120.3° | 120.0° |
| C14 | C13 | C12 | H132 | 120.3° | 120.0° |
| C14 | C13 | C12 | N09 | 157.9° | 180.0° |
| C14 | C13 | H131 | H132 | 119.0° | 119.9° |
| C13 | C14 | C15 | H151 | 0.2° | 0.0° |
| C14 | C13 | C12 | H122 | 82.3° | 60.0° |
| C14 | C13 | C12 | H121 | 38.1° | 60.0° |
| C13 | C14 | C19 | H191 | 0.3° | 0.0° |
| C13 | C12 | N09 | H122 | 119.8° | 120.0° |
| C13 | C12 | N09 | H121 | 119.8° | 120.0° |
| C13 | C12 | N09 | C08 | 172.2° | 170.0° |
| C13 | C12 | N09 | C10 | 63.3° | 65.8° |
| C12 | C13 | H131 | H132 | 119.0° | 120.0° |
| C13 | C12 | H122 | H121 | 120.6° | 119.9° |
| C12 | N09 | C08 | C10 | 122.7° | 124.1° |
| C12 | N09 | C08 | C07 | 166.4° | 174.2° |
| C12 | N09 | C10 | C11 | 166.4° | 174.2° |
| C12 | N09 | C10 | H102 | 72.8° | 65.8° |
| C12 | N09 | C10 | H101 | 45.6° | 54.1° |
| N09 | C12 | C13 | H131 | 37.6° | 60.0° |
| N09 | C12 | C13 | H132 | 81.8° | 60.0° |
| C12 | N09 | C08 | H082 | 45.7° | 54.1° |
| C12 | N09 | C08 | H081 | 73.0° | 65.8° |
| N09 | C12 | H122 | H121 | 120.6° | 120.1° |
| N09 | C08 | C07 | H082 | 120.6° | 120.1° |
| N09 | C08 | C07 | H081 | 120.6° | 120.0° |
| C08 | N09 | C10 | C11 | 45.7° | 61.7° |
| N09 | C08 | C07 | C06 | 52.4° | 59.2° |
| C08 | N09 | C10 | H102 | 166.5° | 58.3° |
| C08 | N09 | C10 | H101 | 75.1° | 178.2° |
| N09 | C08 | C07 | H072 | 172.9° | 60.8° |
| N09 | C08 | C07 | H071 | 68.1° | 179.1° |
| N09 | C08 | H082 | H081 | 118.0° | 120.0° |
| C08 | N09 | C12 | H122 | 68.0° | 70.0° |
| C08 | N09 | C12 | H121 | 52.4° | 50.0° |
| C07 | C08 | N09 | C10 | 43.7° | 61.7° |
| C08 | C07 | C06 | H072 | 120.5° | 119.9° |
| C08 | C07 | C06 | H071 | 120.5° | 120.0° |
| C08 | C07 | C06 | C11 | 59.3° | 57.6° |
| C08 | C07 | C06 | N05 | 176.6° | 177.5° |
| C08 | C07 | C06 | H061 | 56.9° | 62.3° |
| C08 | C07 | H072 | H071 | 118.6° | 120.1° |
| C07 | C08 | H082 | H081 | 118.0° | 119.9° |
| N09 | C10 | C11 | H102 | 120.8° | 120.1° |
| N09 | C10 | C11 | H101 | 120.8° | 120.0° |
| N09 | C10 | C11 | C06 | 54.1° | 59.2° |
| N09 | C10 | H102 | H101 | 117.5° | 120.0° |
| C10 | N09 | C08 | H082 | 77.0° | 178.2° |
| C10 | N09 | C08 | H081 | 164.3° | 58.3° |
| N09 | C10 | C11 | H112 | 65.9° | 60.7° |
| N09 | C10 | C11 | H111 | 174.2° | 179.1° |
| C10 | N09 | C12 | H122 | 56.5° | 54.2° |
| C10 | N09 | C12 | H121 | 176.9° | 174.2° |
| C10 | C11 | C06 | C07 | 59.3° | 57.6° |
| C10 | C11 | C06 | H112 | 120.1° | 119.9° |
| C10 | C11 | C06 | H111 | 120.1° | 119.9° |
| C10 | C11 | C06 | N05 | 176.9° | 177.5° |
| C11 | C10 | H102 | H101 | 117.6° | 119.9° |
| C10 | C11 | C06 | H061 | 57.1° | 62.4° |
| C10 | C11 | H112 | H111 | 119.8° | 120.1° |
| O01 | C02 | N05 | C06 | 1.4° | 5.6° |
| O01 | C02 | N05 | C03 | 179.6° | 180.0° |
| O01 | C02 | N05 | C20 | 179.6° | 174.4° |
| O01 | C02 | C03 | C04 | 28.7° | 5.3° |
| O01 | C02 | C03 | H031 | 148.9° | 125.4° |
| O01 | C02 | C03 | H032 | 91.4° | 114.7° |
| C07 | C06 | C11 | N05 | 123.9° | 119.9° |
| C07 | C06 | C11 | H061 | 116.4° | 120.0° |
| C07 | C06 | N05 | H061 | 119.5° | 120.2° |
| C07 | C06 | N05 | C02 | 93.4° | 56.5° |
| C07 | C06 | N05 | C20 | 85.6° | 123.5° |
| C06 | C07 | H072 | H071 | 118.6° | 120.1° |
| C06 | C07 | C08 | H082 | 68.2° | 179.2° |
| C06 | C07 | C08 | H081 | 173.0° | 60.9° |
| C07 | C06 | C11 | H112 | 60.8° | 62.3° |
| C07 | C06 | C11 | H111 | 179.3° | 177.5° |
| C11 | C06 | N05 | H061 | 119.4° | 120.1° |
| C11 | C06 | N05 | C02 | 145.5° | 63.2° |
| C11 | C06 | N05 | C20 | 35.5° | 116.8° |
| C06 | C11 | C10 | H102 | 174.9° | 60.9° |
| C06 | C11 | C10 | H101 | 66.6° | 179.2° |
| C11 | C06 | C07 | H072 | 179.7° | 62.3° |
| C11 | C06 | C07 | H071 | 61.2° | 177.7° |
| C06 | C11 | H112 | H111 | 119.8° | 120.2° |
| C06 | N05 | C02 | C20 | 179.0° | 180.0° |
| C06 | N05 | C02 | C03 | 179.0° | 174.4° |
| C06 | N05 | C20 | C21 | 95.9° | 67.0° |
| C06 | N05 | C20 | C25 | 83.9° | 112.8° |
| N05 | C06 | C07 | H072 | 56.1° | 57.6° |
| N05 | C06 | C07 | H071 | 62.9° | 62.4° |
| N05 | C06 | C11 | H112 | 63.1° | 57.6° |
| N05 | C06 | C11 | H111 | 56.8° | 62.6° |
| N05 | C02 | C03 | C04 | 151.6° | 174.7° |
| C02 | N05 | C20 | C21 | 85.1° | 113.0° |
| C02 | N05 | C20 | C25 | 95.1° | 67.2° |
| N05 | C02 | C03 | H031 | 31.5° | 54.6° |
| N05 | C02 | C03 | H032 | 88.2° | 65.3° |
| C02 | N05 | C06 | H061 | 26.1° | 176.7° |
| C03 | C02 | N05 | C20 | 0.0° | 5.7° |
| C02 | C03 | C04 | H031 | 120.1° | 120.0° |
| C02 | C03 | C04 | H032 | 120.1° | 120.0° |
| C02 | C03 | H031 | H032 | 119.7° | 119.9° |
| C02 | C03 | C04 | H043 | 180.0° | 180.0° |
| C02 | C03 | C04 | H041 | 60.0° | 60.0° |
| C02 | C03 | C04 | H042 | 60.0° | 60.1° |
| N05 | C20 | C21 | C25 | 179.8° | 179.8° |
| N05 | C20 | C21 | C22 | 179.6° | 179.8° |
| N05 | C20 | C25 | C24 | 179.8° | 179.8° |
| N05 | C20 | C21 | H211 | 0.4° | 0.2° |
| C20 | N05 | C06 | H061 | 154.9° | 3.3° |
| N05 | C20 | C25 | H251 | 0.1° | 0.2° |
| C04 | C03 | H031 | H032 | 119.7° | 120.0° |
| C03 | C04 | H043 | H041 | 120.0° | 120.0° |
| C03 | C04 | H043 | H042 | 120.0° | 119.9° |
| C03 | C04 | H041 | H042 | 120.0° | 120.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C21 | C20 | C25 | C24 | 0.3° | 0.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H221 | 179.4° | 180.0° |
| C21 | C20 | C25 | H251 | 179.7° | 180.0° |
| C25 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C25 | C24 | H251 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 0.6° | 0.1° |
| C25 | C20 | C21 | H211 | 179.8° | 180.0° |
| C20 | C25 | C24 | H241 | 179.4° | 179.9° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H231 | 179.7° | 179.9° |
| C25 | C24 | C23 | C22 | 0.3° | 0.1° |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C25 | C24 | C23 | H231 | 179.7° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C23 | C22 | C21 | H211 | 179.4° | 180.0° |
| C22 | C23 | C24 | H241 | 179.7° | 180.0° |
| C24 | C23 | C22 | H221 | 179.7° | 180.0° |
| C23 | C24 | C25 | H251 | 179.4° | 179.9° |
| H102 | C10 | C11 | H112 | 54.9° | 179.2° |
| H102 | C10 | C11 | H111 | 65.0° | 59.0° |
| H101 | C10 | C11 | H112 | 173.3° | 59.3° |
| H101 | C10 | C11 | H111 | 53.4° | 60.9° |
| H131 | C13 | C12 | H122 | 157.4° | 60.0° |
| H131 | C13 | C12 | H121 | 82.2° | 180.0° |
| H132 | C13 | C12 | H122 | 38.0° | 180.0° |
| H132 | C13 | C12 | H121 | 158.4° | 60.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.3° |
| H171 | C17 | C16 | H161 | 0.0° | 0.3° |
| H171 | C17 | C18 | H181 | 0.0° | 0.0° |
| H211 | C21 | C22 | H221 | 0.5° | 0.0° |
| H221 | C22 | C23 | H231 | 0.3° | 0.0° |
| H241 | C24 | C23 | H231 | 0.3° | 0.1° |
| H241 | C24 | C25 | H251 | 0.6° | 0.1° |
| H031 | C03 | C04 | H043 | 59.9° | 59.9° |
| H031 | C03 | C04 | H041 | 179.9° | 180.0° |
| H031 | C03 | C04 | H042 | 60.1° | 60.0° |
| H032 | C03 | C04 | H043 | 59.9° | 60.0° |
| H032 | C03 | C04 | H041 | 60.1° | 60.0° |
| H032 | C03 | C04 | H042 | 179.9° | 179.9° |
| H043 | C04 | H041 | H042 | 120.0° | 120.0° |
| H061 | C06 | C07 | H072 | 63.6° | 177.8° |
| H061 | C06 | C07 | H071 | 177.4° | 57.7° |
| H061 | C06 | C11 | H112 | 177.2° | 177.7° |
| H061 | C06 | C11 | H111 | 63.0° | 57.5° |
| H072 | C07 | C08 | H082 | 52.3° | 59.3° |
| H072 | C07 | C08 | H081 | 66.5° | 179.2° |
| H071 | C07 | C08 | H082 | 171.3° | 60.8° |
| H071 | C07 | C08 | H081 | 52.5° | 59.1° |
| H181 | C18 | C19 | H191 | 0.1° | 0.5° |
