7YC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C08 | sing | 1.43Å | 1.15Å | |
C10 | N11 | trip | 1.14Å | 0.96Å | |
N12 | C09 | sing | 1.35Å | 1.36Å | |
N12 | C23 | sing | 1.47Å | 1.46Å | |
N12 | C19 | sing | 1.47Å | 1.45Å | |
C21 | C22 | sing | 1.53Å | 1.50Å | |
C21 | O20 | sing | 1.42Å | 1.45Å | |
C22 | C23 | sing | 1.53Å | 1.46Å | |
N14 | C03 | sing | 1.48Å | 1.36Å | |
C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
C03 | C02 | sing | 1.39Å | 1.42Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
C02 | O17 | sing | 1.36Å | 1.38Å | |
C02 | C01 | doub | 1.39Å | 1.41Å | Aromatic |
C01 | O18 | sing | 1.36Å | 1.37Å | |
C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
C06 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
C05 | C07 | sing | 1.46Å | 1.40Å | |
C07 | C08 | doub | 1.38Å | 1.56Å | |
C08 | C09 | sing | 1.47Å | 1.49Å | |
C09 | O13 | doub | 1.22Å | 1.21Å | |
O20 | C19 | sing | 1.43Å | 1.42Å | |
N14 | O16 | sing | 1.22Å | 1.64Å | |
N14 | O15 | doub | 1.22Å | 1.64Å | |
C21 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.09Å | 1.10Å | |
C04 | H3 | sing | 1.08Å | 1.08Å | |
O17 | H4 | sing | 0.97Å | 0.95Å | |
O18 | H5 | sing | 0.97Å | 0.95Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C07 | H7 | sing | 1.08Å | 1.08Å | |
C23 | H8 | sing | 1.09Å | 1.10Å | |
C19 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C23 | H12 | sing | 1.09Å | 1.10Å | |
C19 | H13 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C10 | N11 | 178.1° | 179.9° |
C10 | C08 | C07 | 124.9° | 119.9° |
C10 | C08 | C09 | 113.7° | 120.0° |
C09 | N12 | C23 | 128.4° | 120.9° |
C09 | N12 | C19 | 119.6° | 120.8° |
N12 | C09 | C08 | 120.0° | 120.0° |
N12 | C09 | O13 | 124.0° | 120.0° |
C23 | N12 | C19 | 111.8° | 118.2° |
N12 | C23 | C22 | 115.6° | 108.2° |
N12 | C23 | H8 | 107.9° | 109.7° |
N12 | C23 | H12 | 107.9° | 109.7° |
N12 | C19 | O20 | 116.5° | 108.7° |
N12 | C19 | H9 | 107.7° | 109.6° |
N12 | C19 | H13 | 107.7° | 109.6° |
C22 | C21 | O20 | 115.3° | 109.3° |
C21 | C22 | C23 | 119.3° | 108.9° |
C22 | C21 | H1 | 108.0° | 109.4° |
C21 | C22 | H2 | 107.0° | 109.6° |
C22 | C21 | H10 | 108.0° | 109.5° |
C21 | C22 | H11 | 107.0° | 109.6° |
C21 | O20 | C19 | 119.0° | 114.1° |
O20 | C21 | H1 | 108.0° | 109.7° |
O20 | C21 | H10 | 108.0° | 109.4° |
C23 | C22 | H2 | 107.0° | 109.8° |
C22 | C23 | H8 | 107.9° | 109.7° |
C23 | C22 | H11 | 107.0° | 109.3° |
C22 | C23 | H12 | 107.9° | 109.7° |
N14 | C03 | C04 | 121.4° | 119.9° |
N14 | C03 | C02 | 119.5° | 120.0° |
C03 | N14 | O16 | 117.3° | 120.1° |
C03 | N14 | O15 | 120.4° | 120.0° |
C04 | C03 | C02 | 119.2° | 120.2° |
C03 | C04 | C05 | 120.8° | 119.9° |
C03 | C04 | H3 | 119.6° | 120.0° |
C03 | C02 | O17 | 121.3° | 119.9° |
C03 | C02 | C01 | 120.1° | 120.3° |
C04 | C05 | C06 | 119.0° | 119.8° |
C04 | C05 | C07 | 118.2° | 120.1° |
C05 | C04 | H3 | 119.6° | 120.0° |
O17 | C02 | C01 | 118.6° | 119.9° |
C02 | O17 | H4 | 109.5° | 114.0° |
C02 | C01 | O18 | 118.4° | 120.0° |
C02 | C01 | C06 | 119.3° | 120.1° |
O18 | C01 | C06 | 122.3° | 119.9° |
C01 | O18 | H5 | 109.5° | 114.0° |
C01 | C06 | C05 | 121.6° | 119.8° |
C01 | C06 | H6 | 119.2° | 120.1° |
C06 | C05 | C07 | 122.7° | 120.1° |
C05 | C06 | H6 | 119.2° | 120.1° |
C05 | C07 | C08 | 123.8° | 120.0° |
C05 | C07 | H7 | 118.1° | 120.0° |
C07 | C08 | C09 | 121.2° | 120.0° |
C08 | C07 | H7 | 118.1° | 120.0° |
C08 | C09 | O13 | 116.0° | 120.0° |
O20 | C19 | H9 | 107.7° | 109.6° |
O20 | C19 | H13 | 107.7° | 109.6° |
O16 | N14 | O15 | 122.2° | 119.9° |
H1 | C21 | H10 | 109.5° | 109.5° |
H2 | C22 | H11 | 109.5° | 109.6° |
H8 | C23 | H12 | 109.5° | 109.8° |
H9 | C19 | H13 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C08 | C09 | N12 | 0.5° | 28.3° |
C10 | C08 | C07 | C05 | 6.1° | 7.1° |
C10 | C08 | C07 | C09 | 175.9° | 180.0° |
C10 | C08 | C09 | O13 | 177.7° | 151.7° |
C10 | C08 | C07 | H7 | 173.9° | 172.9° |
N11 | C10 | C08 | C07 | 2.8° | 165.0° |
N11 | C10 | C08 | C09 | 173.4° | 14.9° |
C09 | N12 | C23 | C19 | 174.4° | 179.7° |
C09 | N12 | C23 | C22 | 140.6° | 129.4° |
N12 | C09 | C08 | C07 | 176.9° | 151.7° |
N12 | C09 | C08 | O13 | 178.2° | 180.0° |
C09 | N12 | C19 | O20 | 134.3° | 129.1° |
C09 | N12 | C23 | H8 | 98.5° | 110.9° |
C09 | N12 | C19 | H9 | 13.3° | 9.4° |
C09 | N12 | C23 | H12 | 19.7° | 9.8° |
C09 | N12 | C19 | H13 | 104.7° | 111.2° |
N12 | C23 | C22 | C21 | 29.9° | 51.8° |
N12 | C23 | C22 | H8 | 120.9° | 119.7° |
N12 | C23 | C22 | H12 | 120.9° | 119.7° |
C23 | N12 | C09 | C08 | 3.4° | 177.0° |
C23 | N12 | C09 | O13 | 178.5° | 3.0° |
C23 | N12 | C19 | O20 | 50.8° | 50.6° |
N12 | C23 | C22 | H2 | 91.5° | 68.1° |
N12 | C23 | H8 | H12 | 117.2° | 120.6° |
C23 | N12 | C19 | H9 | 171.8° | 170.3° |
N12 | C23 | C22 | H11 | 151.3° | 171.6° |
C23 | N12 | C19 | H13 | 70.2° | 69.1° |
N12 | C19 | O20 | C21 | 40.3° | 55.8° |
C19 | N12 | C23 | C22 | 45.0° | 50.3° |
C19 | N12 | C09 | C08 | 177.4° | 3.3° |
C19 | N12 | C09 | O13 | 4.5° | 176.7° |
N12 | C19 | O20 | H9 | 121.0° | 119.7° |
N12 | C19 | O20 | H13 | 121.0° | 119.8° |
C19 | N12 | C23 | H8 | 75.8° | 69.4° |
N12 | C19 | H9 | H13 | 116.8° | 120.4° |
C19 | N12 | C23 | H12 | 165.9° | 170.0° |
C22 | C21 | O20 | H1 | 120.9° | 120.0° |
C22 | C21 | O20 | H10 | 120.8° | 119.9° |
C21 | C22 | C23 | H2 | 121.4° | 120.0° |
C21 | C22 | C23 | H11 | 121.4° | 119.7° |
C22 | C21 | O20 | C19 | 22.2° | 62.8° |
C22 | C21 | H1 | H10 | 117.4° | 120.0° |
C21 | C22 | H2 | H11 | 115.5° | 120.3° |
C21 | C22 | C23 | H8 | 91.0° | 67.8° |
C21 | C22 | C23 | H12 | 150.8° | 171.5° |
O20 | C21 | C22 | C23 | 17.4° | 59.3° |
O20 | C21 | H1 | H10 | 117.4° | 120.1° |
O20 | C21 | C22 | H2 | 104.0° | 60.8° |
C21 | O20 | C19 | H9 | 161.3° | 175.5° |
O20 | C21 | C22 | H11 | 138.8° | 178.8° |
C21 | O20 | C19 | H13 | 80.7° | 64.0° |
C23 | C22 | C21 | H1 | 103.5° | 60.9° |
C23 | C22 | H2 | H11 | 115.6° | 120.1° |
C22 | C23 | H8 | H12 | 117.2° | 120.6° |
C23 | C22 | C21 | H10 | 138.2° | 179.1° |
N14 | C03 | C04 | C02 | 178.6° | 179.8° |
N14 | C03 | C04 | C05 | 178.2° | 180.0° |
N14 | C03 | C02 | O17 | 1.1° | 0.1° |
N14 | C03 | C02 | C01 | 179.0° | 180.0° |
C03 | N14 | O16 | O15 | 175.9° | 180.0° |
N14 | C03 | C04 | H3 | 1.9° | 0.0° |
C03 | C04 | C05 | H3 | 180.0° | 180.0° |
C04 | C03 | C02 | O17 | 179.8° | 179.7° |
C04 | C03 | C02 | C01 | 0.4° | 0.2° |
C03 | C04 | C05 | C06 | 1.8° | 0.0° |
C03 | C04 | C05 | C07 | 178.5° | 180.0° |
C04 | C03 | N14 | O16 | 6.7° | 0.0° |
C04 | C03 | N14 | O15 | 169.2° | 180.0° |
C02 | C03 | C04 | C05 | 0.4° | 0.3° |
C03 | C02 | O17 | C01 | 179.9° | 179.9° |
C03 | C02 | C01 | O18 | 179.5° | 180.0° |
C03 | C02 | C01 | C06 | 0.2° | 0.0° |
C02 | C03 | N14 | O16 | 174.6° | 179.8° |
C02 | C03 | N14 | O15 | 9.4° | 0.2° |
C02 | C03 | C04 | H3 | 179.5° | 179.8° |
C03 | C02 | O17 | H4 | 6.6° | 90.0° |
C04 | C05 | C06 | C01 | 2.4° | 0.2° |
C04 | C05 | C06 | C07 | 176.5° | 179.9° |
C04 | C05 | C07 | C08 | 63.8° | 149.7° |
C04 | C05 | C06 | H6 | 177.6° | 180.0° |
C04 | C05 | C07 | H7 | 116.2° | 30.3° |
O17 | C02 | C01 | O18 | 0.4° | 0.1° |
O17 | C02 | C01 | C06 | 179.7° | 180.0° |
C02 | C01 | O18 | C06 | 179.3° | 179.9° |
C02 | C01 | C06 | C05 | 1.6° | 0.3° |
C01 | C02 | O17 | H4 | 173.5° | 90.1° |
C02 | C01 | O18 | H5 | 180.0° | 89.9° |
C02 | C01 | C06 | H6 | 178.4° | 179.9° |
O18 | C01 | C06 | C05 | 179.1° | 179.8° |
O18 | C01 | C06 | H6 | 0.9° | 0.0° |
C01 | C06 | C05 | H6 | 180.0° | 179.8° |
C01 | C06 | C05 | C07 | 178.9° | 179.7° |
C06 | C01 | O18 | H5 | 0.7° | 90.0° |
C06 | C05 | C07 | C08 | 119.7° | 30.3° |
C06 | C05 | C04 | H3 | 178.2° | 180.0° |
C06 | C05 | C07 | H7 | 60.3° | 149.7° |
C05 | C07 | C08 | H7 | 180.0° | 180.0° |
C05 | C07 | C08 | C09 | 178.0° | 172.9° |
C07 | C05 | C04 | H3 | 1.5° | 0.0° |
C07 | C05 | C06 | H6 | 1.1° | 0.1° |
C07 | C08 | C09 | O13 | 1.4° | 28.3° |
C09 | C08 | C07 | H7 | 2.0° | 7.0° |
C19 | O20 | C21 | H1 | 98.7° | 57.2° |
O20 | C19 | H9 | H13 | 116.8° | 120.4° |
C19 | O20 | C21 | H10 | 143.0° | 177.4° |
H1 | C21 | C22 | H2 | 135.1° | 179.0° |
H1 | C21 | C22 | H11 | 18.0° | 58.7° |
H2 | C22 | C23 | H8 | 147.6° | 172.2° |
H2 | C22 | C21 | H10 | 16.8° | 59.0° |
H2 | C22 | C23 | H12 | 29.4° | 51.6° |
H8 | C23 | C22 | H11 | 30.4° | 51.9° |
H10 | C21 | C22 | H11 | 100.4° | 61.3° |
H11 | C22 | C23 | H12 | 87.8° | 68.7° |