4ZW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.22Å | 1.24Å | |
C10 | C07 | sing | 1.53Å | 1.51Å | |
C10 | N13 | sing | 1.47Å | 1.47Å | |
C07 | C05 | sing | 1.53Å | 1.51Å | |
N13 | C15 | sing | 1.47Å | 1.45Å | |
C05 | N03 | sing | 1.47Å | 1.48Å | |
C05 | C18 | sing | 1.53Å | 1.52Å | |
C02 | N03 | sing | 1.35Å | 1.35Å | |
C02 | C21 | sing | 1.48Å | 1.48Å | |
C22 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
C30 | C24 | sing | 1.51Å | 1.49Å | |
C30 | C28 | sing | 1.51Å | 1.51Å | |
C15 | C18 | sing | 1.53Å | 1.52Å | |
C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
C21 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
O29 | C28 | doub | 1.21Å | 1.21Å | |
C28 | N26 | sing | 1.34Å | 1.39Å | |
C25 | N26 | sing | 1.39Å | 1.39Å | |
C25 | C33 | doub | 1.40Å | 1.40Å | Aromatic |
C35 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
N03 | H1 | sing | 0.97Å | 1.00Å | |
C05 | H2 | sing | 1.09Å | 1.10Å | |
C07 | H3 | sing | 1.09Å | 1.10Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
N13 | H7 | sing | 1.01Å | 1.00Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C15 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C22 | H13 | sing | 1.08Å | 1.08Å | |
N26 | H14 | sing | 0.97Å | 1.00Å | |
C30 | H15 | sing | 1.09Å | 1.10Å | |
C30 | H16 | sing | 1.09Å | 1.10Å | |
C33 | H17 | sing | 1.08Å | 1.08Å | |
C35 | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | N03 | 117.9° | 120.0° |
O01 | C02 | C21 | 119.7° | 120.0° |
C07 | C10 | N13 | 112.0° | 109.6° |
C10 | C07 | C05 | 110.4° | 109.3° |
C10 | C07 | H3 | 109.2° | 109.5° |
C10 | C07 | H4 | 109.2° | 109.5° |
C07 | C10 | H5 | 108.8° | 109.5° |
C07 | C10 | H6 | 108.8° | 109.5° |
C10 | N13 | C15 | 113.2° | 111.2° |
N13 | C10 | H5 | 108.8° | 109.4° |
N13 | C10 | H6 | 108.8° | 109.4° |
C10 | N13 | H7 | 108.5° | 111.0° |
C07 | C05 | N03 | 110.5° | 109.5° |
C07 | C05 | C18 | 111.1° | 109.2° |
C07 | C05 | H2 | 108.1° | 109.5° |
C05 | C07 | H3 | 109.2° | 109.5° |
C05 | C07 | H4 | 109.3° | 109.6° |
N13 | C15 | C18 | 109.7° | 109.5° |
C15 | N13 | H7 | 108.5° | 111.0° |
N13 | C15 | H9 | 109.4° | 109.5° |
N13 | C15 | H10 | 109.4° | 109.5° |
N03 | C05 | C18 | 110.5° | 109.5° |
C05 | N03 | C02 | 122.6° | 120.0° |
C05 | N03 | H1 | 118.7° | 120.0° |
N03 | C05 | H2 | 108.5° | 109.5° |
C05 | C18 | C15 | 110.8° | 109.3° |
C18 | C05 | H2 | 108.0° | 109.6° |
C05 | C18 | H11 | 109.1° | 109.5° |
C05 | C18 | H12 | 109.2° | 109.5° |
N03 | C02 | C21 | 122.2° | 120.0° |
C02 | N03 | H1 | 118.7° | 120.0° |
C02 | C21 | C22 | 115.7° | 120.3° |
C02 | C21 | C35 | 123.9° | 120.3° |
C24 | C22 | C21 | 119.2° | 119.8° |
C22 | C24 | C30 | 131.9° | 132.7° |
C22 | C24 | C25 | 119.2° | 121.0° |
C24 | C22 | H13 | 120.4° | 120.1° |
C22 | C21 | C35 | 120.0° | 119.4° |
C21 | C22 | H13 | 120.4° | 120.1° |
C24 | C30 | C28 | 104.0° | 104.0° |
C30 | C24 | C25 | 108.6° | 106.3° |
C24 | C30 | H15 | 110.8° | 110.5° |
C24 | C30 | H16 | 110.8° | 110.5° |
C30 | C28 | O29 | 127.1° | 126.4° |
C30 | C28 | N26 | 106.6° | 107.1° |
C28 | C30 | H15 | 110.9° | 110.5° |
C28 | C30 | H16 | 110.8° | 110.5° |
C18 | C15 | H9 | 109.4° | 109.5° |
C18 | C15 | H10 | 109.4° | 109.4° |
C15 | C18 | H11 | 109.1° | 109.5° |
C15 | C18 | H12 | 109.2° | 109.5° |
C24 | C25 | N26 | 109.2° | 110.2° |
C24 | C25 | C33 | 123.9° | 119.1° |
C21 | C35 | C33 | 121.9° | 120.3° |
C21 | C35 | H18 | 119.0° | 119.9° |
O29 | C28 | N26 | 126.2° | 126.4° |
C28 | N26 | C25 | 111.6° | 112.4° |
C28 | N26 | H14 | 124.2° | 123.8° |
N26 | C25 | C33 | 126.9° | 130.7° |
C25 | N26 | H14 | 124.2° | 123.8° |
C25 | C33 | C35 | 115.5° | 120.3° |
C25 | C33 | H17 | 122.2° | 119.8° |
C35 | C33 | H17 | 122.2° | 119.9° |
C33 | C35 | H18 | 119.1° | 119.9° |
H3 | C07 | H4 | 109.5° | 109.5° |
H5 | C10 | H6 | 109.5° | 109.4° |
H9 | C15 | H10 | 109.5° | 109.5° |
H11 | C18 | H12 | 109.5° | 109.5° |
H15 | C30 | H16 | 109.5° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | N03 | C05 | 5.1° | 0.0° |
O01 | C02 | N03 | C21 | 174.6° | 179.7° |
O01 | C02 | C21 | C22 | 35.9° | 0.3° |
O01 | C02 | C21 | C35 | 136.4° | 180.0° |
O01 | C02 | N03 | H1 | 174.9° | 180.0° |
C07 | C10 | N13 | H5 | 120.4° | 120.1° |
C07 | C10 | N13 | H6 | 120.4° | 120.0° |
C10 | C07 | C05 | H3 | 120.1° | 119.9° |
C10 | C07 | C05 | H4 | 120.1° | 120.0° |
C07 | C10 | N13 | C15 | 57.0° | 61.7° |
C10 | C07 | C05 | N03 | 176.0° | 177.5° |
C10 | C07 | C05 | C18 | 53.0° | 57.6° |
C10 | C07 | C05 | H2 | 65.4° | 62.3° |
C10 | C07 | H3 | H4 | 119.5° | 120.1° |
C07 | C10 | H5 | H6 | 118.8° | 120.0° |
C07 | C10 | N13 | H7 | 63.5° | 62.4° |
N13 | C10 | C07 | C05 | 53.4° | 59.2° |
C10 | N13 | C15 | H7 | 120.5° | 124.1° |
C10 | N13 | C15 | C18 | 57.7° | 61.7° |
N13 | C10 | C07 | H3 | 173.5° | 60.8° |
N13 | C10 | C07 | H4 | 66.8° | 179.2° |
N13 | C10 | H5 | H6 | 118.9° | 119.9° |
C10 | N13 | C15 | H9 | 177.7° | 178.3° |
C10 | N13 | C15 | H10 | 62.4° | 58.3° |
C07 | C05 | N03 | C18 | 123.4° | 119.7° |
C07 | C05 | N03 | H2 | 118.4° | 120.1° |
C07 | C05 | C18 | H2 | 118.5° | 120.0° |
C07 | C05 | N03 | C02 | 81.6° | 85.3° |
C07 | C05 | C18 | C15 | 55.1° | 57.7° |
C07 | C05 | N03 | H1 | 98.3° | 94.7° |
C05 | C07 | H3 | H4 | 119.6° | 120.2° |
C05 | C07 | C10 | H5 | 173.7° | 179.2° |
C05 | C07 | C10 | H6 | 67.0° | 60.8° |
C07 | C05 | C18 | H11 | 175.3° | 177.6° |
C07 | C05 | C18 | H12 | 65.2° | 62.3° |
N13 | C15 | C18 | C05 | 56.3° | 59.2° |
N13 | C15 | C18 | H9 | 120.0° | 120.0° |
N13 | C15 | C18 | H10 | 120.1° | 120.0° |
C15 | N13 | C10 | H5 | 177.4° | 178.2° |
C15 | N13 | C10 | H6 | 63.3° | 58.3° |
N13 | C15 | H9 | H10 | 119.9° | 120.0° |
N13 | C15 | C18 | H11 | 176.5° | 179.1° |
N13 | C15 | C18 | H12 | 63.9° | 60.8° |
N03 | C05 | C18 | H2 | 118.5° | 120.2° |
C05 | N03 | C02 | H1 | 180.0° | 180.0° |
C05 | N03 | C02 | C21 | 179.7° | 179.7° |
N03 | C05 | C18 | C15 | 178.1° | 177.5° |
N03 | C05 | C07 | H3 | 63.8° | 57.6° |
N03 | C05 | C07 | H4 | 55.9° | 62.5° |
N03 | C05 | C18 | H11 | 61.7° | 62.5° |
N03 | C05 | C18 | H12 | 57.9° | 57.6° |
C18 | C05 | N03 | C02 | 155.0° | 155.0° |
C05 | C18 | C15 | H11 | 120.2° | 120.0° |
C05 | C18 | C15 | H12 | 120.2° | 120.0° |
C18 | C05 | N03 | H1 | 25.1° | 25.0° |
C18 | C05 | C07 | H3 | 173.1° | 62.3° |
C18 | C05 | C07 | H4 | 67.1° | 177.6° |
C05 | C18 | C15 | H9 | 176.4° | 179.2° |
C05 | C18 | C15 | H10 | 63.7° | 60.8° |
C05 | C18 | H11 | H12 | 119.4° | 120.1° |
N03 | C02 | C21 | C22 | 149.6° | 180.0° |
N03 | C02 | C21 | C35 | 38.1° | 0.3° |
C02 | N03 | C05 | H2 | 36.8° | 34.8° |
C02 | C21 | C22 | C24 | 178.1° | 180.0° |
C02 | C21 | C22 | C35 | 172.6° | 179.7° |
C02 | C21 | C35 | C33 | 176.8° | 179.8° |
C21 | C02 | N03 | H1 | 0.3° | 0.3° |
C02 | C21 | C22 | H13 | 1.9° | 0.0° |
C02 | C21 | C35 | H18 | 3.2° | 0.0° |
C24 | C22 | C21 | H13 | 180.0° | 180.0° |
C22 | C24 | C30 | C25 | 173.8° | 179.9° |
C22 | C24 | C30 | C28 | 175.4° | 179.9° |
C24 | C22 | C21 | C35 | 5.5° | 0.2° |
C22 | C24 | C25 | N26 | 177.7° | 179.9° |
C22 | C24 | C25 | C33 | 3.2° | 0.1° |
C22 | C24 | C30 | H15 | 65.4° | 61.3° |
C22 | C24 | C30 | H16 | 56.3° | 61.5° |
C21 | C22 | C24 | C30 | 177.9° | 180.0° |
C21 | C22 | C24 | C25 | 4.6° | 0.0° |
C22 | C21 | C35 | C33 | 4.8° | 0.5° |
C22 | C21 | C35 | H18 | 175.2° | 179.7° |
C24 | C30 | C28 | H15 | 119.1° | 118.6° |
C24 | C30 | C28 | H16 | 119.1° | 118.6° |
C24 | C30 | C28 | O29 | 175.8° | 180.0° |
C24 | C30 | C28 | N26 | 0.3° | 0.0° |
C30 | C24 | C25 | N26 | 3.0° | 0.0° |
C30 | C24 | C25 | C33 | 177.9° | 180.0° |
C30 | C24 | C22 | H13 | 2.1° | 0.1° |
C24 | C30 | H15 | H16 | 122.5° | 122.7° |
C28 | C30 | C24 | C25 | 1.6° | 0.0° |
C30 | C28 | O29 | N26 | 175.3° | 180.0° |
C30 | C28 | N26 | C25 | 2.2° | 0.0° |
C30 | C28 | N26 | H14 | 177.8° | 180.0° |
C28 | C30 | H15 | H16 | 122.6° | 122.7° |
C15 | C18 | C05 | H2 | 63.4° | 62.3° |
C18 | C15 | N13 | H7 | 62.8° | 62.4° |
C18 | C15 | H9 | H10 | 119.9° | 120.0° |
C15 | C18 | H11 | H12 | 119.4° | 120.0° |
C24 | C25 | N26 | C28 | 3.3° | 0.0° |
C24 | C25 | N26 | C33 | 179.1° | 180.0° |
C24 | C25 | C33 | C35 | 2.3° | 0.2° |
C25 | C24 | C22 | H13 | 175.4° | 180.0° |
C24 | C25 | N26 | H14 | 176.7° | 180.0° |
C25 | C24 | C30 | H15 | 120.7° | 118.6° |
C25 | C24 | C30 | H16 | 117.5° | 118.6° |
C24 | C25 | C33 | H17 | 177.7° | 180.0° |
C21 | C35 | C33 | C25 | 3.1° | 0.5° |
C21 | C35 | C33 | H18 | 180.0° | 179.8° |
C35 | C21 | C22 | H13 | 174.5° | 179.7° |
C21 | C35 | C33 | H17 | 176.9° | 179.7° |
O29 | C28 | N26 | C25 | 174.0° | 180.0° |
O29 | C28 | N26 | H14 | 6.0° | 0.0° |
O29 | C28 | C30 | H15 | 65.1° | 61.4° |
O29 | C28 | C30 | H16 | 56.7° | 61.4° |
C28 | N26 | C25 | H14 | 180.0° | 180.0° |
C28 | N26 | C25 | C33 | 177.6° | 180.0° |
N26 | C28 | C30 | H15 | 118.8° | 118.6° |
N26 | C28 | C30 | H16 | 119.4° | 118.6° |
N26 | C25 | C33 | C35 | 178.7° | 179.8° |
N26 | C25 | C33 | H17 | 1.3° | 0.1° |
C25 | C33 | C35 | H17 | 180.0° | 179.8° |
C33 | C25 | N26 | H14 | 2.4° | 0.0° |
C25 | C33 | C35 | H18 | 176.9° | 179.7° |
H1 | N03 | C05 | H2 | 143.3° | 145.1° |
H2 | C05 | C07 | H3 | 54.8° | 177.8° |
H2 | C05 | C07 | H4 | 174.5° | 57.7° |
H2 | C05 | C18 | H11 | 56.8° | 57.6° |
H2 | C05 | C18 | H12 | 176.4° | 177.7° |
H3 | C07 | C10 | H5 | 66.1° | 59.2° |
H3 | C07 | C10 | H6 | 53.1° | 179.2° |
H4 | C07 | C10 | H5 | 53.6° | 60.8° |
H4 | C07 | C10 | H6 | 172.8° | 59.2° |
H5 | C10 | N13 | H7 | 56.9° | 57.7° |
H6 | C10 | N13 | H7 | 176.2° | 177.6° |
H7 | N13 | C15 | H9 | 57.2° | 57.6° |
H7 | N13 | C15 | H10 | 177.1° | 177.6° |
H9 | C15 | C18 | H11 | 63.4° | 60.8° |
H9 | C15 | C18 | H12 | 56.1° | 59.2° |
H10 | C15 | C18 | H11 | 56.5° | 59.2° |
H10 | C15 | C18 | H12 | 176.1° | 179.2° |
H17 | C33 | C35 | H18 | 3.0° | 0.1° |