Y0W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N14 | C15 | sing | 1.49Å | 1.55Å | |
N14 | C13 | sing | 1.48Å | 1.55Å | |
C15 | C11 | sing | 1.55Å | 1.34Å | |
C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
C07 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
N09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
N09 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
C06 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
C08 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
C13 | C12 | sing | 1.54Å | 1.33Å | |
F01 | C02 | sing | 1.40Å | 1.34Å | |
C10 | C11 | sing | 1.51Å | 1.56Å | |
C10 | N16 | doub | 1.30Å | 1.35Å | Aromatic |
C11 | C12 | sing | 1.55Å | 1.60Å | |
C05 | C02 | sing | 1.51Å | 1.50Å | |
C05 | C18 | doub | 1.37Å | 1.41Å | Aromatic |
F03 | C02 | sing | 1.40Å | 1.37Å | |
C17 | N16 | sing | 1.36Å | 1.38Å | Aromatic |
C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
C02 | F04 | sing | 1.40Å | 1.36Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.09Å | 1.10Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
N09 | H11 | sing | 0.97Å | 1.00Å | |
N14 | H12 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | N14 | C13 | 104.6° | 105.9° |
N14 | C15 | C11 | 103.7° | 103.2° |
N14 | C15 | H3 | 110.9° | 110.6° |
N14 | C15 | H4 | 110.9° | 110.9° |
C15 | N14 | H12 | 110.6° | 111.0° |
N14 | C13 | C12 | 106.9° | 107.0° |
N14 | C13 | H1 | 110.1° | 109.9° |
N14 | C13 | H2 | 110.1° | 110.1° |
C13 | N14 | H12 | 110.7° | 111.0° |
C15 | C11 | C10 | 106.7° | 110.7° |
C15 | C11 | C12 | 105.3° | 102.9° |
C11 | C15 | H3 | 110.9° | 110.7° |
C11 | C15 | H4 | 110.9° | 110.7° |
C15 | C11 | H7 | 111.5° | 110.8° |
C06 | C07 | C08 | 119.3° | 119.6° |
C07 | C06 | C05 | 120.3° | 120.5° |
C07 | C06 | H5 | 119.8° | 119.8° |
C06 | C07 | H6 | 120.4° | 120.2° |
C07 | C08 | N09 | 132.7° | 134.1° |
C07 | C08 | C17 | 119.9° | 119.9° |
C08 | C07 | H6 | 120.3° | 120.1° |
C08 | N09 | C10 | 107.3° | 107.3° |
N09 | C08 | C17 | 107.4° | 106.0° |
C08 | N09 | H11 | 126.4° | 126.3° |
N09 | C10 | C11 | 127.2° | 124.9° |
N09 | C10 | N16 | 110.0° | 110.1° |
C10 | N09 | H11 | 126.4° | 126.4° |
C06 | C05 | C02 | 122.2° | 119.6° |
C06 | C05 | C18 | 120.3° | 120.7° |
C05 | C06 | H5 | 119.9° | 119.8° |
C08 | C17 | N16 | 106.9° | 106.9° |
C08 | C17 | C18 | 120.9° | 119.5° |
C13 | C12 | C11 | 104.8° | 105.2° |
C12 | C13 | H1 | 110.1° | 109.9° |
C12 | C13 | H2 | 110.1° | 109.9° |
C13 | C12 | H8 | 110.6° | 110.3° |
C13 | C12 | H9 | 110.6° | 110.4° |
F01 | C02 | C05 | 106.2° | 109.5° |
F01 | C02 | F03 | 110.8° | 109.4° |
F01 | C02 | F04 | 108.5° | 109.5° |
C11 | C10 | N16 | 122.9° | 125.0° |
C10 | C11 | C12 | 117.1° | 110.7° |
C10 | C11 | H7 | 108.4° | 110.7° |
C10 | N16 | C17 | 108.4° | 109.7° |
C12 | C11 | H7 | 107.9° | 110.8° |
C11 | C12 | H8 | 110.6° | 110.3° |
C11 | C12 | H9 | 110.6° | 110.3° |
C02 | C05 | C18 | 117.4° | 119.7° |
C05 | C02 | F03 | 111.5° | 109.5° |
C05 | C02 | F04 | 111.9° | 109.5° |
C05 | C18 | C17 | 119.4° | 119.9° |
C05 | C18 | H10 | 120.3° | 120.1° |
F03 | C02 | F04 | 108.0° | 109.5° |
N16 | C17 | C18 | 132.2° | 133.6° |
C17 | C18 | H10 | 120.3° | 120.1° |
H1 | C13 | H2 | 109.5° | 109.9° |
H3 | C15 | H4 | 109.4° | 110.6° |
H8 | C12 | H9 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | N14 | C13 | H12 | 119.2° | 120.6° |
N14 | C15 | C11 | H3 | 119.1° | 118.4° |
N14 | C15 | C11 | H4 | 119.1° | 118.7° |
C15 | N14 | C13 | C12 | 2.7° | 25.3° |
N14 | C15 | C11 | C10 | 89.5° | 155.7° |
N14 | C15 | C11 | C12 | 35.6° | 37.4° |
C15 | N14 | C13 | H1 | 116.9° | 144.6° |
C15 | N14 | C13 | H2 | 122.3° | 94.2° |
N14 | C15 | H3 | H4 | 122.7° | 123.2° |
N14 | C15 | C11 | H7 | 152.3° | 81.1° |
C13 | N14 | C15 | C11 | 22.6° | 39.2° |
N14 | C13 | C12 | H1 | 119.6° | 119.3° |
N14 | C13 | C12 | H2 | 119.6° | 119.6° |
N14 | C13 | C12 | C11 | 22.7° | 1.2° |
N14 | C13 | H1 | H2 | 121.2° | 121.3° |
C13 | N14 | C15 | H3 | 96.5° | 79.2° |
C13 | N14 | C15 | H4 | 141.6° | 157.7° |
N14 | C13 | C12 | H8 | 141.9° | 120.2° |
N14 | C13 | C12 | H9 | 96.6° | 117.7° |
C15 | C11 | C10 | N09 | 63.0° | 33.8° |
C15 | C11 | C12 | C13 | 39.4° | 21.9° |
C15 | C11 | C10 | C12 | 117.6° | 113.5° |
C15 | C11 | C10 | H7 | 120.2° | 123.2° |
C15 | C11 | C10 | N16 | 116.8° | 146.4° |
C15 | C11 | C12 | H7 | 119.2° | 118.4° |
C11 | C15 | H3 | H4 | 122.7° | 123.0° |
C15 | C11 | C12 | H8 | 158.7° | 97.0° |
C15 | C11 | C12 | H9 | 79.8° | 140.9° |
C11 | C15 | N14 | H12 | 96.7° | 159.8° |
C06 | C07 | C08 | H6 | 180.0° | 179.9° |
C06 | C07 | C08 | N09 | 180.0° | 180.0° |
C07 | C06 | C05 | H5 | 180.0° | 179.9° |
C06 | C07 | C08 | C17 | 0.0° | 0.1° |
C07 | C06 | C05 | C02 | 179.8° | 179.9° |
C07 | C06 | C05 | C18 | 1.0° | 0.1° |
C07 | C08 | N09 | C17 | 180.0° | 179.9° |
C07 | C08 | N09 | C10 | 179.9° | 179.8° |
C08 | C07 | C06 | C05 | 0.5° | 0.1° |
C07 | C08 | C17 | N16 | 179.8° | 179.9° |
C07 | C08 | C17 | C18 | 0.0° | 0.2° |
C08 | C07 | C06 | H5 | 179.5° | 180.0° |
C07 | C08 | N09 | H11 | 0.1° | 0.2° |
C08 | N09 | C10 | H11 | 180.0° | 180.0° |
C08 | N09 | C10 | C11 | 179.8° | 180.0° |
C08 | N09 | C10 | N16 | 0.1° | 0.2° |
N09 | C08 | C17 | N16 | 0.1° | 0.0° |
N09 | C08 | C17 | C18 | 180.0° | 179.9° |
N09 | C08 | C07 | H6 | 0.0° | 0.1° |
C10 | N09 | C08 | C17 | 0.1° | 0.1° |
N09 | C10 | C11 | N16 | 179.8° | 179.8° |
N09 | C10 | C11 | C12 | 54.5° | 79.7° |
N09 | C10 | N16 | C17 | 0.0° | 0.2° |
N09 | C10 | C11 | H7 | 176.8° | 157.0° |
C06 | C05 | C02 | F01 | 115.2° | 30.0° |
C06 | C05 | C02 | C18 | 178.8° | 180.0° |
C06 | C05 | C02 | F03 | 5.6° | 150.0° |
C06 | C05 | C18 | C17 | 1.0° | 0.0° |
C06 | C05 | C02 | F04 | 126.6° | 90.0° |
C05 | C06 | C07 | H6 | 179.5° | 180.0° |
C06 | C05 | C18 | H10 | 179.0° | 179.9° |
C08 | C17 | N16 | C10 | 0.1° | 0.1° |
C08 | C17 | C18 | C05 | 0.5° | 0.2° |
C08 | C17 | N16 | C18 | 179.8° | 179.8° |
C17 | C08 | C07 | H6 | 180.0° | 179.8° |
C08 | C17 | C18 | H10 | 179.5° | 179.8° |
C17 | C08 | N09 | H11 | 179.9° | 179.9° |
C13 | C12 | C11 | C10 | 78.9° | 140.3° |
C13 | C12 | C11 | H8 | 119.3° | 118.9° |
C13 | C12 | C11 | H9 | 119.2° | 119.0° |
C12 | C13 | H1 | H2 | 121.2° | 121.1° |
C13 | C12 | C11 | H7 | 158.6° | 96.5° |
C13 | C12 | H8 | H9 | 122.2° | 122.2° |
C12 | C13 | N14 | H12 | 121.9° | 145.9° |
F01 | C02 | C05 | F03 | 120.8° | 120.0° |
F01 | C02 | C05 | F04 | 118.2° | 120.0° |
F01 | C02 | C05 | C18 | 63.6° | 150.0° |
F01 | C02 | F03 | F04 | 118.7° | 120.0° |
C10 | C11 | C12 | H7 | 122.5° | 123.2° |
C11 | C10 | N16 | C17 | 179.9° | 180.0° |
C10 | C11 | C15 | H3 | 151.4° | 37.3° |
C10 | C11 | C15 | H4 | 29.6° | 85.6° |
C10 | C11 | C12 | H8 | 40.4° | 21.4° |
C10 | C11 | C12 | H9 | 161.9° | 100.7° |
C11 | C10 | N09 | H11 | 0.2° | 0.0° |
N16 | C10 | C11 | C12 | 125.6° | 100.1° |
C10 | N16 | C17 | C18 | 179.9° | 180.0° |
N16 | C10 | C11 | H7 | 3.4° | 23.2° |
N16 | C10 | N09 | H11 | 179.9° | 179.8° |
C11 | C12 | C13 | H1 | 96.9° | 120.5° |
C11 | C12 | C13 | H2 | 142.3° | 118.3° |
C12 | C11 | C15 | H3 | 83.5° | 81.0° |
C12 | C11 | C15 | H4 | 154.7° | 156.0° |
C11 | C12 | H8 | H9 | 122.2° | 122.1° |
C05 | C02 | F03 | F04 | 123.3° | 120.0° |
C02 | C05 | C18 | C17 | 179.8° | 180.0° |
C02 | C05 | C06 | H5 | 0.2° | 0.0° |
C02 | C05 | C18 | H10 | 0.1° | 0.0° |
C18 | C05 | C02 | F03 | 175.6° | 30.0° |
C05 | C18 | C17 | N16 | 179.7° | 180.0° |
C05 | C18 | C17 | H10 | 180.0° | 180.0° |
C18 | C05 | C02 | F04 | 54.6° | 90.0° |
C18 | C05 | C06 | H5 | 179.0° | 180.0° |
N16 | C17 | C18 | H10 | 0.3° | 0.0° |
H1 | C13 | C12 | H8 | 22.3° | 120.5° |
H1 | C13 | C12 | H9 | 143.9° | 1.6° |
H1 | C13 | N14 | H12 | 2.3° | 94.8° |
H2 | C13 | C12 | H8 | 98.5° | 0.6° |
H2 | C13 | C12 | H9 | 23.0° | 122.7° |
H2 | C13 | N14 | H12 | 118.5° | 26.4° |
H3 | C15 | C11 | H7 | 33.3° | 160.5° |
H3 | C15 | N14 | H12 | 144.2° | 41.4° |
H4 | C15 | C11 | H7 | 88.6° | 37.5° |
H4 | C15 | N14 | H12 | 22.4° | 81.7° |
H5 | C06 | C07 | H6 | 0.5° | 0.2° |
H7 | C11 | C12 | H8 | 82.1° | 144.6° |
H7 | C11 | C12 | H9 | 39.4° | 22.5° |