M16
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N29 | C28 | sing | 1.47Å | 1.48Å | |
C28 | C27 | sing | 1.53Å | 1.53Å | |
C27 | C24 | sing | 1.51Å | 1.52Å | |
C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
C26 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
C21 | C08 | sing | 1.48Å | 1.49Å | |
C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
N01 | C10 | doub | 1.34Å | 1.34Å | Aromatic |
N01 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
C10 | C05 | sing | 1.42Å | 1.39Å | Aromatic |
N02 | C02 | sing | 1.39Å | 1.36Å | |
C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.36Å | 1.39Å | Aromatic |
C04 | C11 | sing | 1.51Å | 1.51Å | |
N29 | H1 | sing | 1.01Å | 1.00Å | |
N29 | H2 | sing | 1.01Å | 1.00Å | |
C28 | H4 | sing | 1.09Å | 1.10Å | |
C28 | H5 | sing | 1.09Å | 1.10Å | |
C27 | H6 | sing | 1.09Å | 1.10Å | |
C27 | H7 | sing | 1.09Å | 1.10Å | |
C23 | H8 | sing | 1.08Å | 1.08Å | |
C22 | H9 | sing | 1.08Å | 1.08Å | |
C25 | H10 | sing | 1.08Å | 1.08Å | |
C26 | H11 | sing | 1.08Å | 1.08Å | |
C09 | H12 | sing | 1.08Å | 1.08Å | |
C07 | H13 | sing | 1.08Å | 1.08Å | |
C06 | H14 | sing | 1.08Å | 1.08Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
C03 | H18 | sing | 1.08Å | 1.08Å | |
N02 | H19 | sing | 0.97Å | 1.00Å | |
N02 | H20 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N29 | C28 | C27 | 110.8° | 109.5° |
C28 | N29 | H1 | 109.5° | 111.0° |
C28 | N29 | H2 | 109.5° | 111.1° |
N29 | C28 | H4 | 109.2° | 109.4° |
N29 | C28 | H5 | 109.1° | 109.5° |
C28 | C27 | C24 | 110.8° | 109.4° |
C27 | C28 | H4 | 109.1° | 109.4° |
C27 | C28 | H5 | 109.1° | 109.5° |
C28 | C27 | H6 | 109.1° | 109.5° |
C28 | C27 | H7 | 109.1° | 109.5° |
C27 | C24 | C25 | 121.3° | 119.9° |
C27 | C24 | C23 | 119.2° | 119.8° |
C24 | C27 | H6 | 109.1° | 109.5° |
C24 | C27 | H7 | 109.1° | 109.5° |
C24 | C25 | C26 | 120.5° | 120.2° |
C25 | C24 | C23 | 119.5° | 120.2° |
C24 | C25 | H10 | 119.7° | 119.9° |
C25 | C26 | C21 | 120.0° | 119.8° |
C26 | C25 | H10 | 119.8° | 119.9° |
C25 | C26 | H11 | 120.0° | 120.1° |
C24 | C23 | C22 | 119.7° | 120.1° |
C24 | C23 | H8 | 120.1° | 119.9° |
C26 | C21 | C22 | 119.2° | 119.8° |
C26 | C21 | C08 | 125.9° | 120.1° |
C21 | C26 | H11 | 120.0° | 120.1° |
C23 | C22 | C21 | 121.1° | 119.9° |
C22 | C23 | H8 | 120.2° | 120.0° |
C23 | C22 | H9 | 119.4° | 120.0° |
C22 | C21 | C08 | 114.8° | 120.1° |
C21 | C22 | H9 | 119.5° | 120.1° |
C21 | C08 | C09 | 119.3° | 119.7° |
C21 | C08 | C07 | 121.3° | 119.7° |
C08 | C09 | C10 | 120.2° | 119.6° |
C09 | C08 | C07 | 119.3° | 120.6° |
C08 | C09 | H12 | 119.9° | 120.2° |
C09 | C10 | N01 | 119.9° | 120.9° |
C09 | C10 | C05 | 120.4° | 119.3° |
C10 | C09 | H12 | 119.9° | 120.3° |
C08 | C07 | C06 | 120.6° | 120.7° |
C08 | C07 | H13 | 119.7° | 119.7° |
C10 | N01 | C02 | 122.3° | 121.3° |
N01 | C10 | C05 | 119.7° | 119.9° |
N01 | C02 | N02 | 118.3° | 119.2° |
N01 | C02 | C03 | 119.9° | 121.5° |
C10 | C05 | C06 | 119.7° | 119.9° |
C10 | C05 | C04 | 119.9° | 119.1° |
N02 | C02 | C03 | 121.8° | 119.3° |
C02 | N02 | H19 | 109.5° | 120.0° |
C02 | N02 | H20 | 109.5° | 120.1° |
C02 | C03 | C04 | 118.7° | 119.9° |
C02 | C03 | H18 | 120.6° | 120.0° |
C07 | C06 | C05 | 119.8° | 119.9° |
C06 | C07 | H13 | 119.7° | 119.6° |
C07 | C06 | H14 | 120.1° | 120.0° |
C06 | C05 | C04 | 120.4° | 121.0° |
C05 | C06 | H14 | 120.1° | 120.0° |
C05 | C04 | C03 | 119.5° | 118.3° |
C05 | C04 | C11 | 118.3° | 120.9° |
C03 | C04 | C11 | 122.2° | 120.8° |
C04 | C03 | H18 | 120.7° | 120.1° |
C04 | C11 | H15 | 109.5° | 109.5° |
C04 | C11 | H16 | 109.5° | 109.5° |
C04 | C11 | H17 | 109.5° | 109.4° |
H1 | N29 | H2 | 109.5° | 111.0° |
H4 | C28 | H5 | 109.5° | 109.5° |
H6 | C27 | H7 | 109.5° | 109.5° |
H15 | C11 | H16 | 109.4° | 109.5° |
H15 | C11 | H17 | 109.5° | 109.5° |
H16 | C11 | H17 | 109.5° | 109.5° |
H19 | N02 | H20 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N29 | C28 | C27 | H4 | 120.2° | 119.9° |
N29 | C28 | C27 | H5 | 120.2° | 120.0° |
N29 | C28 | C27 | C24 | 56.7° | 180.0° |
C28 | N29 | H1 | H2 | 120.0° | 124.0° |
N29 | C28 | H4 | H5 | 119.4° | 120.0° |
N29 | C28 | C27 | H6 | 63.5° | 60.1° |
N29 | C28 | C27 | H7 | 176.9° | 60.0° |
C28 | C27 | C24 | H6 | 120.2° | 120.0° |
C28 | C27 | C24 | H7 | 120.2° | 120.0° |
C28 | C27 | C24 | C25 | 68.6° | 90.3° |
C28 | C27 | C24 | C23 | 111.0° | 90.0° |
C27 | C28 | N29 | H1 | 180.0° | 56.1° |
C27 | C28 | N29 | H2 | 60.0° | 180.0° |
C27 | C28 | H4 | H5 | 119.4° | 120.1° |
C28 | C27 | H6 | H7 | 119.4° | 120.0° |
C27 | C24 | C25 | C23 | 179.6° | 179.7° |
C27 | C24 | C25 | C26 | 179.9° | 179.9° |
C27 | C24 | C23 | C22 | 179.8° | 179.9° |
C24 | C27 | C28 | H4 | 176.9° | 60.0° |
C24 | C27 | C28 | H5 | 63.5° | 60.0° |
C24 | C27 | H6 | H7 | 119.4° | 120.0° |
C27 | C24 | C23 | H8 | 0.2° | 0.1° |
C27 | C24 | C25 | H10 | 0.1° | 0.0° |
C24 | C25 | C26 | H10 | 180.0° | 180.0° |
C24 | C25 | C26 | C21 | 1.9° | 0.0° |
C25 | C24 | C23 | C22 | 0.1° | 0.2° |
C25 | C24 | C27 | H6 | 171.2° | 149.7° |
C25 | C24 | C27 | H7 | 51.6° | 29.7° |
C25 | C24 | C23 | H8 | 179.8° | 179.8° |
C24 | C25 | C26 | H11 | 178.1° | 179.9° |
C26 | C25 | C24 | C23 | 0.5° | 0.3° |
C25 | C26 | C21 | H11 | 180.0° | 179.9° |
C25 | C26 | C21 | C22 | 3.0° | 0.3° |
C25 | C26 | C21 | C08 | 178.4° | 180.0° |
C24 | C23 | C22 | H8 | 180.0° | 180.0° |
C24 | C23 | C22 | C21 | 1.3° | 0.0° |
C23 | C24 | C27 | H6 | 9.2° | 29.9° |
C23 | C24 | C27 | H7 | 128.8° | 150.0° |
C24 | C23 | C22 | H9 | 178.7° | 179.9° |
C23 | C24 | C25 | H10 | 179.5° | 179.7° |
C26 | C21 | C22 | C23 | 2.7° | 0.3° |
C26 | C21 | C22 | C08 | 175.9° | 179.7° |
C26 | C21 | C08 | C09 | 131.6° | 179.8° |
C26 | C21 | C08 | C07 | 51.9° | 0.0° |
C26 | C21 | C22 | H9 | 177.3° | 179.8° |
C21 | C26 | C25 | H10 | 178.1° | 180.0° |
C23 | C22 | C21 | H9 | 180.0° | 179.9° |
C23 | C22 | C21 | C08 | 178.6° | 180.0° |
C22 | C21 | C08 | C09 | 52.8° | 0.0° |
C22 | C21 | C08 | C07 | 123.7° | 179.8° |
C21 | C22 | C23 | H8 | 178.7° | 179.9° |
C22 | C21 | C26 | H11 | 177.0° | 179.7° |
C21 | C08 | C09 | C07 | 176.5° | 179.8° |
C21 | C08 | C09 | C10 | 177.7° | 180.0° |
C21 | C08 | C07 | C06 | 176.6° | 180.0° |
C08 | C21 | C22 | H9 | 1.4° | 0.1° |
C08 | C21 | C26 | H11 | 1.6° | 0.1° |
C21 | C08 | C09 | H12 | 2.3° | 0.0° |
C21 | C08 | C07 | H13 | 3.5° | 0.1° |
C08 | C09 | C10 | H12 | 180.0° | 179.9° |
C08 | C09 | C10 | N01 | 179.9° | 179.5° |
C08 | C09 | C10 | C05 | 1.2° | 0.0° |
C09 | C08 | C07 | C06 | 0.1° | 0.2° |
C09 | C08 | C07 | H13 | 179.9° | 179.7° |
C10 | C09 | C08 | C07 | 1.2° | 0.2° |
C09 | C10 | N01 | C05 | 178.9° | 179.5° |
C09 | C10 | N01 | C02 | 179.6° | 180.0° |
C09 | C10 | C05 | C06 | 0.2° | 0.2° |
C09 | C10 | C05 | C04 | 179.1° | 180.0° |
C08 | C07 | C06 | H13 | 180.0° | 179.9° |
C08 | C07 | C06 | C05 | 0.9° | 0.0° |
C07 | C08 | C09 | H12 | 178.8° | 179.7° |
C08 | C07 | C06 | H14 | 179.1° | 179.9° |
C10 | N01 | C02 | N02 | 178.8° | 179.7° |
C10 | N01 | C02 | C03 | 1.8° | 0.3° |
N01 | C10 | C05 | C06 | 179.1° | 179.7° |
N01 | C10 | C05 | C04 | 0.2° | 0.5° |
N01 | C10 | C09 | H12 | 0.1° | 0.6° |
C02 | N01 | C10 | C05 | 1.5° | 0.6° |
N01 | C02 | N02 | C03 | 179.4° | 179.9° |
N01 | C02 | C03 | C04 | 0.7° | 0.1° |
N01 | C02 | C03 | H18 | 179.3° | 180.0° |
N01 | C02 | N02 | H19 | 0.0° | 180.0° |
N01 | C02 | N02 | H20 | 120.0° | 0.0° |
C10 | C05 | C06 | C07 | 0.9° | 0.2° |
C10 | C05 | C06 | C04 | 179.3° | 179.7° |
C10 | C05 | C04 | C03 | 0.8° | 0.3° |
C10 | C05 | C04 | C11 | 179.2° | 179.8° |
C05 | C10 | C09 | H12 | 178.8° | 180.0° |
C10 | C05 | C06 | H14 | 179.2° | 179.7° |
N02 | C02 | C03 | C04 | 179.9° | 180.0° |
N02 | C02 | C03 | H18 | 0.1° | 0.1° |
C02 | N02 | H19 | H20 | 120.0° | 180.0° |
C02 | C03 | C04 | C05 | 0.6° | 0.0° |
C02 | C03 | C04 | H18 | 180.0° | 179.9° |
C02 | C03 | C04 | C11 | 179.5° | 180.0° |
C03 | C02 | N02 | H19 | 179.4° | 0.0° |
C03 | C02 | N02 | H20 | 59.4° | 180.0° |
C07 | C06 | C05 | H14 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 179.8° | 180.0° |
C06 | C05 | C04 | C03 | 179.9° | 180.0° |
C06 | C05 | C04 | C11 | 0.1° | 0.0° |
C05 | C06 | C07 | H13 | 179.1° | 179.9° |
C05 | C04 | C03 | C11 | 180.0° | 179.9° |
C04 | C05 | C06 | H14 | 0.1° | 0.0° |
C05 | C04 | C11 | H15 | 90.0° | 90.0° |
C05 | C04 | C11 | H16 | 150.0° | 150.0° |
C05 | C04 | C11 | H17 | 30.0° | 30.0° |
C05 | C04 | C03 | H18 | 179.5° | 180.0° |
C03 | C04 | C11 | H15 | 90.0° | 90.0° |
C03 | C04 | C11 | H16 | 30.0° | 30.1° |
C03 | C04 | C11 | H17 | 150.0° | 150.0° |
C04 | C11 | H15 | H16 | 120.0° | 120.1° |
C04 | C11 | H15 | H17 | 120.0° | 120.0° |
C04 | C11 | H16 | H17 | 120.0° | 120.0° |
C11 | C04 | C03 | H18 | 0.5° | 0.1° |
H1 | N29 | C28 | H4 | 59.8° | 176.0° |
H1 | N29 | C28 | H5 | 59.8° | 64.0° |
H2 | N29 | C28 | H4 | 60.2° | 60.0° |
H2 | N29 | C28 | H5 | 179.8° | 60.0° |
H4 | C28 | C27 | H6 | 56.7° | 180.0° |
H4 | C28 | C27 | H7 | 62.9° | 59.9° |
H5 | C28 | C27 | H6 | 176.3° | 59.9° |
H5 | C28 | C27 | H7 | 56.7° | 180.0° |
H8 | C23 | C22 | H9 | 1.3° | 0.1° |
H10 | C25 | C26 | H11 | 1.9° | 0.0° |
H13 | C07 | C06 | H14 | 0.9° | 0.0° |
H15 | C11 | H16 | H17 | 120.0° | 120.0° |