2SN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C26 | N24 | sing | 1.47Å | 1.47Å | |
N24 | C25 | sing | 1.47Å | 1.47Å | |
N24 | C23 | sing | 1.47Å | 1.48Å | |
C23 | C15 | sing | 1.51Å | 1.50Å | |
C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | N22 | sing | 1.40Å | 1.35Å | |
N22 | C21 | sing | 1.46Å | 1.45Å | |
C21 | C08 | sing | 1.51Å | 1.51Å | |
C10 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
C10 | C05 | doub | 1.42Å | 1.39Å | Aromatic |
C10 | N01 | sing | 1.34Å | 1.35Å | Aromatic |
C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
C04 | C03 | doub | 1.36Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
C02 | N02 | sing | 1.39Å | 1.36Å | |
C02 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C26 | H263 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C25 | H253 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
N22 | H22 | sing | 0.97Å | 1.00Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C09 | H09 | sing | 1.08Å | 1.08Å | |
C07 | H07 | sing | 1.08Å | 1.08Å | |
C06 | H06 | sing | 1.08Å | 1.08Å | |
C04 | H04 | sing | 1.08Å | 1.08Å | |
C03 | H03 | sing | 1.08Å | 1.08Å | |
N02 | H021 | sing | 0.97Å | 1.00Å | |
N02 | H022 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | N24 | C25 | 110.7° | 111.0° |
C26 | N24 | C23 | 112.6° | 111.0° |
N24 | C26 | H261 | 109.5° | 109.4° |
N24 | C26 | H262 | 109.5° | 109.5° |
N24 | C26 | H263 | 109.5° | 109.4° |
C25 | N24 | C23 | 110.7° | 111.0° |
N24 | C25 | H251 | 109.5° | 109.5° |
N24 | C25 | H252 | 109.5° | 109.5° |
N24 | C25 | H253 | 109.5° | 109.5° |
N24 | C23 | C15 | 116.8° | 109.5° |
N24 | C23 | H231 | 107.6° | 109.4° |
N24 | C23 | H232 | 107.6° | 109.5° |
C23 | C15 | C16 | 119.9° | 120.0° |
C23 | C15 | C14 | 119.2° | 120.0° |
C15 | C23 | H231 | 107.6° | 109.5° |
C15 | C23 | H232 | 107.6° | 109.5° |
C15 | C16 | C11 | 119.5° | 119.9° |
C16 | C15 | C14 | 120.9° | 120.1° |
C15 | C16 | H16 | 120.2° | 120.0° |
C16 | C11 | C12 | 119.7° | 119.9° |
C16 | C11 | N22 | 118.6° | 120.1° |
C11 | C16 | H16 | 120.3° | 120.1° |
C15 | C14 | C13 | 119.9° | 120.2° |
C15 | C14 | H14 | 120.1° | 119.9° |
C14 | C13 | C12 | 119.1° | 120.1° |
C13 | C14 | H14 | 120.0° | 119.9° |
C14 | C13 | H13 | 120.4° | 120.0° |
C13 | C12 | C11 | 120.9° | 119.9° |
C12 | C13 | H13 | 120.5° | 119.9° |
C13 | C12 | H12 | 119.5° | 120.1° |
C12 | C11 | N22 | 121.7° | 120.1° |
C11 | C12 | H12 | 119.5° | 120.0° |
C11 | N22 | C21 | 117.2° | 120.0° |
C11 | N22 | H22 | 107.5° | 120.0° |
N22 | C21 | C08 | 110.4° | 109.5° |
C21 | N22 | H22 | 107.5° | 120.0° |
N22 | C21 | H211 | 109.2° | 109.5° |
N22 | C21 | H212 | 109.2° | 109.5° |
C21 | C08 | C09 | 120.9° | 119.5° |
C21 | C08 | C07 | 119.7° | 119.5° |
C08 | C21 | H211 | 109.2° | 109.5° |
C08 | C21 | H212 | 109.2° | 109.5° |
C09 | C10 | C05 | 119.8° | 119.1° |
C09 | C10 | N01 | 120.3° | 121.0° |
C10 | C09 | C08 | 120.5° | 119.8° |
C10 | C09 | H09 | 119.7° | 120.1° |
C05 | C10 | N01 | 119.9° | 119.9° |
C10 | C05 | C06 | 119.8° | 119.6° |
C10 | C05 | C04 | 120.0° | 119.1° |
C10 | N01 | C02 | 121.2° | 121.3° |
C09 | C08 | C07 | 119.4° | 121.0° |
C08 | C09 | H09 | 119.8° | 120.1° |
C08 | C07 | C06 | 120.1° | 120.9° |
C08 | C07 | H07 | 120.0° | 119.6° |
C07 | C06 | C05 | 120.5° | 119.7° |
C06 | C07 | H07 | 119.9° | 119.6° |
C07 | C06 | H06 | 119.8° | 120.2° |
C06 | C05 | C04 | 120.2° | 121.3° |
C05 | C06 | H06 | 119.8° | 120.2° |
C05 | C04 | C03 | 118.5° | 118.3° |
C05 | C04 | H04 | 120.7° | 120.8° |
C04 | C03 | C02 | 120.8° | 119.9° |
C03 | C04 | H04 | 120.7° | 120.9° |
C04 | C03 | H03 | 119.6° | 120.1° |
C03 | C02 | N02 | 119.2° | 119.3° |
C03 | C02 | N01 | 119.5° | 121.5° |
C02 | C03 | H03 | 119.6° | 120.0° |
N02 | C02 | N01 | 121.3° | 119.2° |
C02 | N02 | H021 | 109.5° | 120.0° |
C02 | N02 | H022 | 109.5° | 120.0° |
H261 | C26 | H262 | 109.4° | 109.5° |
H261 | C26 | H263 | 109.5° | 109.4° |
H262 | C26 | H263 | 109.5° | 109.5° |
H251 | C25 | H252 | 109.5° | 109.5° |
H251 | C25 | H253 | 109.5° | 109.5° |
H252 | C25 | H253 | 109.4° | 109.4° |
H231 | C23 | H232 | 109.5° | 109.5° |
H211 | C21 | H212 | 109.5° | 109.4° |
H021 | N02 | H022 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | N24 | C25 | C23 | 125.6° | 124.0° |
C26 | N24 | C23 | C15 | 37.5° | 170.0° |
N24 | C26 | H261 | H262 | 120.0° | 120.1° |
N24 | C26 | H261 | H263 | 120.0° | 119.9° |
N24 | C26 | H262 | H263 | 120.0° | 119.9° |
C26 | N24 | C25 | H251 | 180.0° | 60.0° |
C26 | N24 | C25 | H252 | 60.0° | 180.0° |
C26 | N24 | C25 | H253 | 60.0° | 60.0° |
C26 | N24 | C23 | H231 | 83.6° | 70.1° |
C26 | N24 | C23 | H232 | 158.6° | 50.0° |
C25 | N24 | C23 | C15 | 87.0° | 66.1° |
C25 | N24 | C26 | H261 | 180.0° | 56.0° |
C25 | N24 | C26 | H262 | 60.0° | 176.1° |
C25 | N24 | C26 | H263 | 60.0° | 63.9° |
N24 | C25 | H251 | H252 | 120.0° | 120.0° |
N24 | C25 | H251 | H253 | 120.0° | 120.0° |
N24 | C25 | H252 | H253 | 120.0° | 120.0° |
C25 | N24 | C23 | H231 | 151.9° | 53.9° |
C25 | N24 | C23 | H232 | 34.1° | 173.9° |
N24 | C23 | C15 | H231 | 121.0° | 119.9° |
N24 | C23 | C15 | H232 | 121.1° | 120.0° |
N24 | C23 | C15 | C16 | 72.2° | 89.9° |
N24 | C23 | C15 | C14 | 109.7° | 90.0° |
C23 | N24 | C26 | H261 | 55.5° | 180.0° |
C23 | N24 | C26 | H262 | 64.5° | 59.9° |
C23 | N24 | C26 | H263 | 175.5° | 60.1° |
C23 | N24 | C25 | H251 | 54.4° | 63.9° |
C23 | N24 | C25 | H252 | 174.4° | 56.1° |
C23 | N24 | C25 | H253 | 65.6° | 176.0° |
N24 | C23 | H231 | H232 | 116.7° | 120.0° |
C23 | C15 | C16 | C14 | 178.1° | 180.0° |
C23 | C15 | C16 | C11 | 179.5° | 180.0° |
C23 | C15 | C14 | C13 | 179.7° | 180.0° |
C15 | C23 | H231 | H232 | 116.7° | 120.0° |
C23 | C15 | C16 | H16 | 0.5° | 0.2° |
C23 | C15 | C14 | H14 | 0.3° | 0.0° |
C15 | C16 | C11 | H16 | 180.0° | 179.8° |
C16 | C15 | C14 | C13 | 1.6° | 0.0° |
C15 | C16 | C11 | C12 | 0.7° | 0.0° |
C15 | C16 | C11 | N22 | 179.6° | 179.9° |
C16 | C15 | C23 | H231 | 166.8° | 30.0° |
C16 | C15 | C23 | H232 | 48.9° | 150.0° |
C16 | C15 | C14 | H14 | 178.4° | 180.0° |
C11 | C16 | C15 | C14 | 1.4° | 0.0° |
C16 | C11 | C12 | C13 | 0.3° | 0.0° |
C16 | C11 | C12 | N22 | 179.7° | 180.0° |
C16 | C11 | N22 | C21 | 9.3° | 180.0° |
C16 | C11 | C12 | H12 | 179.7° | 180.0° |
C16 | C11 | N22 | H22 | 111.9° | 0.0° |
C15 | C14 | C13 | H14 | 180.0° | 179.9° |
C15 | C14 | C13 | C12 | 1.1° | 0.0° |
C14 | C15 | C23 | H231 | 11.4° | 150.0° |
C14 | C15 | C23 | H232 | 129.2° | 30.0° |
C14 | C15 | C16 | H16 | 178.6° | 179.8° |
C15 | C14 | C13 | H13 | 178.9° | 180.0° |
C14 | C13 | C12 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 0.4° | 0.0° |
C14 | C13 | C12 | H12 | 179.6° | 180.0° |
C13 | C12 | C11 | H12 | 180.0° | 180.0° |
C13 | C12 | C11 | N22 | 180.0° | 179.9° |
C12 | C13 | C14 | H14 | 178.9° | 180.0° |
C12 | C11 | N22 | C21 | 170.4° | 0.1° |
C12 | C11 | C16 | H16 | 179.3° | 179.8° |
C11 | C12 | C13 | H13 | 179.6° | 180.0° |
C12 | C11 | N22 | H22 | 68.4° | 180.0° |
C11 | N22 | C21 | H22 | 121.1° | 180.0° |
C11 | N22 | C21 | C08 | 111.1° | 180.0° |
N22 | C11 | C16 | H16 | 0.4° | 0.2° |
N22 | C11 | C12 | H12 | 0.0° | 0.0° |
C11 | N22 | C21 | H211 | 9.1° | 60.0° |
C11 | N22 | C21 | H212 | 128.8° | 60.0° |
N22 | C21 | C08 | H211 | 120.2° | 120.0° |
N22 | C21 | C08 | H212 | 120.2° | 120.0° |
N22 | C21 | C08 | C09 | 35.6° | 90.0° |
N22 | C21 | C08 | C07 | 145.0° | 90.0° |
N22 | C21 | H211 | H212 | 119.6° | 120.0° |
C21 | C08 | C09 | C10 | 178.7° | 180.0° |
C21 | C08 | C09 | C07 | 179.3° | 180.0° |
C21 | C08 | C07 | C06 | 180.0° | 180.0° |
C08 | C21 | N22 | H22 | 127.8° | 0.0° |
C08 | C21 | H211 | H212 | 119.5° | 120.0° |
C21 | C08 | C09 | H09 | 1.3° | 0.1° |
C21 | C08 | C07 | H07 | 0.0° | 0.0° |
C09 | C10 | C05 | N01 | 179.3° | 179.7° |
C10 | C09 | C08 | H09 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 0.7° | 0.0° |
C09 | C10 | C05 | C06 | 0.3° | 0.0° |
C09 | C10 | C05 | C04 | 179.9° | 180.0° |
C09 | C10 | N01 | C02 | 179.2° | 179.7° |
C05 | C10 | C09 | C08 | 1.2° | 0.0° |
C10 | C05 | C06 | C07 | 1.0° | 0.0° |
C10 | C05 | C06 | C04 | 179.6° | 180.0° |
C10 | C05 | C04 | C03 | 1.9° | 0.0° |
C05 | C10 | N01 | C02 | 0.1° | 0.6° |
C05 | C10 | C09 | H09 | 178.8° | 180.0° |
C10 | C05 | C06 | H06 | 179.0° | 179.9° |
C10 | C05 | C04 | H04 | 178.1° | 179.9° |
N01 | C10 | C09 | C08 | 179.5° | 179.7° |
N01 | C10 | C05 | C06 | 179.6° | 179.7° |
N01 | C10 | C05 | C04 | 0.8° | 0.3° |
C10 | N01 | C02 | C03 | 0.2° | 0.6° |
C10 | N01 | C02 | N02 | 179.8° | 179.7° |
N01 | C10 | C09 | H09 | 0.4° | 0.4° |
C09 | C08 | C07 | C06 | 0.7° | 0.0° |
C09 | C08 | C21 | H211 | 155.8° | 30.1° |
C09 | C08 | C21 | H212 | 84.5° | 150.0° |
C09 | C08 | C07 | H07 | 179.4° | 180.0° |
C08 | C07 | C06 | H07 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 1.5° | 0.0° |
C07 | C08 | C21 | H211 | 24.9° | 150.0° |
C07 | C08 | C21 | H212 | 94.8° | 30.0° |
C07 | C08 | C09 | H09 | 179.3° | 180.0° |
C08 | C07 | C06 | H06 | 178.5° | 179.9° |
C07 | C06 | C05 | H06 | 180.0° | 179.9° |
C07 | C06 | C05 | C04 | 178.6° | 180.0° |
C06 | C05 | C04 | C03 | 178.5° | 180.0° |
C05 | C06 | C07 | H07 | 178.5° | 180.0° |
C06 | C05 | C04 | H04 | 1.5° | 0.1° |
C05 | C04 | C03 | H04 | 180.0° | 179.9° |
C05 | C04 | C03 | C02 | 2.2° | 0.0° |
C04 | C05 | C06 | H06 | 1.4° | 0.1° |
C05 | C04 | C03 | H03 | 177.8° | 180.0° |
C04 | C03 | C02 | H03 | 180.0° | 180.0° |
C04 | C03 | C02 | N02 | 178.6° | 180.0° |
C04 | C03 | C02 | N01 | 1.4° | 0.3° |
C03 | C02 | N02 | N01 | 180.0° | 179.7° |
C02 | C03 | C04 | H04 | 177.8° | 179.9° |
C03 | C02 | N02 | H021 | 180.0° | 0.0° |
C03 | C02 | N02 | H022 | 60.0° | 180.0° |
N02 | C02 | C03 | H03 | 1.4° | 0.0° |
C02 | N02 | H021 | H022 | 120.0° | 179.9° |
N01 | C02 | C03 | H03 | 178.6° | 179.7° |
N01 | C02 | N02 | H021 | 0.0° | 179.7° |
N01 | C02 | N02 | H022 | 120.0° | 0.3° |
H261 | C26 | H262 | H263 | 120.0° | 120.0° |
H251 | C25 | H252 | H253 | 120.0° | 120.0° |
H14 | C14 | C13 | H13 | 1.1° | 0.0° |
H13 | C13 | C12 | H12 | 0.4° | 0.0° |
H22 | N22 | C21 | H211 | 112.0° | 120.0° |
H22 | N22 | C21 | H212 | 7.7° | 120.0° |
H07 | C07 | C06 | H06 | 1.5° | 0.1° |
H04 | C04 | C03 | H03 | 2.2° | 0.1° |