6MW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | N12 | sing | 1.32Å | 1.36Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
N12 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
O03 | C02 | doub | 1.21Å | 1.25Å | |
C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C09 | C07 | sing | 1.51Å | 1.51Å | |
C09 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
N08 | C07 | sing | 1.49Å | 1.46Å | |
N08 | C04 | sing | 1.47Å | 1.47Å | |
C07 | S06 | sing | 1.84Å | 1.85Å | |
C02 | C04 | sing | 1.51Å | 1.61Å | |
C02 | O01 | sing | 1.34Å | 1.25Å | |
C04 | C05 | sing | 1.54Å | 1.55Å | |
S06 | C05 | sing | 1.84Å | 1.87Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C11 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
O01 | H5 | sing | 0.97Å | 0.95Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C07 | H9 | sing | 1.09Å | 1.10Å | |
N08 | H10 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C11 | N12 | 123.7° | 120.7° |
C11 | C10 | C09 | 118.7° | 119.2° |
C11 | C10 | H1 | 120.7° | 120.3° |
C10 | C11 | H2 | 118.2° | 119.6° |
C11 | N12 | C13 | 116.5° | 121.7° |
N12 | C11 | H2 | 118.2° | 119.7° |
C10 | C09 | C07 | 120.1° | 120.8° |
C10 | C09 | C14 | 119.1° | 118.5° |
C09 | C10 | H1 | 120.7° | 120.5° |
N12 | C13 | C14 | 123.7° | 120.8° |
N12 | C13 | H3 | 118.2° | 119.6° |
O03 | C02 | C04 | 116.0° | 120.0° |
O03 | C02 | O01 | 126.9° | 120.0° |
C13 | C14 | C09 | 118.3° | 119.1° |
C14 | C13 | H3 | 118.2° | 119.6° |
C13 | C14 | H4 | 120.9° | 120.4° |
C07 | C09 | C14 | 120.6° | 120.7° |
C09 | C07 | N08 | 124.0° | 111.2° |
C09 | C07 | S06 | 115.8° | 111.2° |
C09 | C07 | H9 | 103.0° | 111.0° |
C09 | C14 | H4 | 120.9° | 120.5° |
C07 | N08 | C04 | 99.9° | 111.0° |
N08 | C07 | S06 | 106.5° | 100.9° |
N08 | C07 | H9 | 103.5° | 111.1° |
C07 | N08 | H10 | 111.8° | 111.1° |
N08 | C04 | C02 | 118.1° | 108.8° |
N08 | C04 | C05 | 107.1° | 112.8° |
N08 | C04 | H6 | 105.7° | 108.7° |
C04 | N08 | H10 | 111.8° | 110.9° |
C07 | S06 | C05 | 88.9° | 94.9° |
S06 | C07 | H9 | 100.5° | 111.1° |
C04 | C02 | O01 | 117.0° | 120.0° |
C02 | C04 | C05 | 115.5° | 108.8° |
C02 | C04 | H6 | 104.3° | 108.8° |
C02 | O01 | H5 | 109.5° | 117.0° |
C04 | C05 | S06 | 104.3° | 103.5° |
C05 | C04 | H6 | 104.9° | 108.8° |
C04 | C05 | H7 | 110.7° | 110.6° |
C04 | C05 | H8 | 110.7° | 110.6° |
S06 | C05 | H7 | 110.8° | 110.6° |
S06 | C05 | H8 | 110.8° | 110.8° |
H7 | C05 | H8 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C11 | N12 | H2 | 180.0° | 179.9° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C10 | C11 | N12 | C13 | 0.3° | 0.1° |
C11 | C10 | C09 | C07 | 177.4° | 179.7° |
C11 | C10 | C09 | C14 | 2.4° | 0.3° |
N12 | C11 | C10 | C09 | 1.0° | 0.0° |
C11 | N12 | C13 | C14 | 0.2° | 0.3° |
N12 | C11 | C10 | H1 | 179.0° | 179.8° |
C11 | N12 | C13 | H3 | 179.8° | 179.8° |
C10 | C09 | C14 | C13 | 2.5° | 0.6° |
C10 | C09 | C07 | C14 | 175.0° | 180.0° |
C10 | C09 | C07 | N08 | 34.4° | 157.0° |
C10 | C09 | C07 | S06 | 169.4° | 91.4° |
C09 | C10 | C11 | H2 | 179.0° | 180.0° |
C10 | C09 | C14 | H4 | 177.5° | 179.5° |
C10 | C09 | C07 | H9 | 82.0° | 32.8° |
N12 | C13 | C14 | H3 | 180.0° | 179.4° |
N12 | C13 | C14 | C09 | 1.3° | 0.6° |
C13 | N12 | C11 | H2 | 179.7° | 180.0° |
N12 | C13 | C14 | H4 | 178.8° | 179.5° |
O03 | C02 | C04 | N08 | 31.8° | 23.3° |
O03 | C02 | C04 | O01 | 177.1° | 180.0° |
O03 | C02 | C04 | C05 | 160.4° | 100.0° |
O03 | C02 | O01 | H5 | 0.0° | 0.0° |
O03 | C02 | C04 | H6 | 85.1° | 141.6° |
C13 | C14 | C09 | C07 | 177.5° | 179.4° |
C13 | C14 | C09 | H4 | 180.0° | 179.9° |
C09 | C07 | N08 | S06 | 138.4° | 118.0° |
C09 | C07 | N08 | H9 | 116.1° | 124.2° |
C09 | C07 | N08 | C04 | 166.2° | 160.4° |
C09 | C07 | S06 | H9 | 110.1° | 124.1° |
C09 | C07 | S06 | C05 | 173.2° | 152.6° |
C07 | C09 | C10 | H1 | 2.6° | 0.0° |
C07 | C09 | C14 | H4 | 2.5° | 0.5° |
C09 | C07 | N08 | H10 | 47.8° | 75.7° |
C14 | C09 | C07 | N08 | 150.6° | 23.0° |
C14 | C09 | C07 | S06 | 15.7° | 88.6° |
C14 | C09 | C10 | H1 | 177.6° | 180.0° |
C09 | C14 | C13 | H3 | 178.8° | 180.0° |
C14 | C09 | C07 | H9 | 93.0° | 147.2° |
C07 | N08 | C04 | H10 | 118.4° | 124.0° |
N08 | C07 | S06 | H9 | 107.6° | 117.9° |
C07 | N08 | C04 | C02 | 169.2° | 152.7° |
C07 | N08 | C04 | C05 | 58.4° | 31.8° |
N08 | C07 | S06 | C05 | 30.9° | 34.6° |
C07 | N08 | C04 | H6 | 53.1° | 89.0° |
C04 | N08 | C07 | S06 | 55.4° | 42.4° |
N08 | C04 | C02 | C05 | 128.6° | 123.3° |
N08 | C04 | C02 | H6 | 116.8° | 118.3° |
N08 | C04 | C02 | O01 | 151.1° | 156.6° |
N08 | C04 | C05 | H6 | 112.0° | 120.7° |
N08 | C04 | C05 | S06 | 35.2° | 3.9° |
N08 | C04 | C05 | H7 | 154.4° | 122.4° |
N08 | C04 | C05 | H8 | 84.0° | 114.8° |
C04 | N08 | C07 | H9 | 50.1° | 75.4° |
C07 | S06 | C05 | C04 | 2.5° | 18.3° |
C07 | S06 | C05 | H7 | 121.6° | 100.2° |
C07 | S06 | C05 | H8 | 116.7° | 136.9° |
S06 | C07 | N08 | H10 | 173.8° | 166.3° |
C02 | C04 | C05 | H6 | 114.2° | 118.4° |
C02 | C04 | C05 | S06 | 169.0° | 124.8° |
C04 | C02 | O01 | H5 | 176.7° | 180.0° |
C02 | C04 | C05 | H7 | 71.8° | 116.7° |
C02 | C04 | C05 | H8 | 49.8° | 6.1° |
C02 | C04 | N08 | H10 | 50.8° | 83.3° |
O01 | C02 | C04 | C05 | 22.6° | 80.0° |
O01 | C02 | C04 | H6 | 92.0° | 38.4° |
C04 | C05 | S06 | H7 | 119.2° | 118.5° |
C04 | C05 | S06 | H8 | 119.2° | 118.6° |
C04 | C05 | H7 | H8 | 122.4° | 122.8° |
C05 | C04 | N08 | H10 | 176.8° | 155.8° |
S06 | C05 | C04 | H6 | 76.8° | 116.8° |
S06 | C05 | H7 | H8 | 122.4° | 123.1° |
C05 | S06 | C07 | H9 | 76.7° | 83.3° |
H1 | C10 | C11 | H2 | 1.0° | 0.3° |
H3 | C13 | C14 | H4 | 1.2° | 0.1° |
H6 | C04 | C05 | H7 | 42.4° | 1.7° |
H6 | C04 | C05 | H8 | 164.0° | 124.4° |
H6 | C04 | N08 | H10 | 65.3° | 35.0° |
H9 | C07 | N08 | H10 | 68.3° | 48.5° |