7WN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C12 | N11 | sing | 1.47Å | 1.47Å | |
C13 | C14 | sing | 1.51Å | 1.49Å | |
N11 | C10 | sing | 1.47Å | 1.50Å | |
C14 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
C14 | C09 | sing | 1.38Å | 1.32Å | Aromatic |
C10 | C09 | sing | 1.51Å | 1.56Å | |
C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C09 | C08 | doub | 1.39Å | 1.43Å | Aromatic |
C16 | C07 | doub | 1.39Å | 1.35Å | Aromatic |
C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
C07 | N06 | sing | 1.40Å | 1.44Å | |
N06 | C05 | sing | 1.39Å | 1.44Å | |
C17 | C05 | sing | 1.41Å | 1.39Å | |
C17 | N18 | doub | 1.30Å | 1.31Å | |
C05 | C03 | doub | 1.38Å | 1.40Å | |
N18 | N19 | sing | 1.40Å | 1.34Å | |
C03 | CL04 | sing | 1.74Å | 1.78Å | |
C03 | C02 | sing | 1.40Å | 1.39Å | |
N19 | C02 | sing | 1.35Å | 1.31Å | |
N19 | C20 | sing | 1.46Å | 1.46Å | |
C02 | O01 | doub | 1.22Å | 1.38Å | |
N11 | H1 | sing | 1.01Å | 1.00Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.08Å | 1.08Å | |
C16 | H8 | sing | 1.08Å | 1.08Å | |
C17 | H9 | sing | 1.08Å | 1.08Å | |
C08 | H10 | sing | 1.08Å | 1.08Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C20 | H13 | sing | 1.09Å | 1.10Å | |
C20 | H14 | sing | 1.09Å | 1.10Å | |
C20 | H15 | sing | 1.09Å | 1.10Å | |
N06 | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C12 | N11 | 112.5° | 108.5° |
C12 | C13 | C14 | 113.5° | 110.0° |
C13 | C12 | H3 | 108.7° | 109.7° |
C13 | C12 | H4 | 108.7° | 109.6° |
C12 | C13 | H5 | 108.5° | 109.4° |
C12 | C13 | H6 | 108.5° | 109.4° |
C12 | N11 | C10 | 112.4° | 110.3° |
C12 | N11 | H1 | 108.7° | 111.0° |
N11 | C12 | H3 | 108.7° | 109.6° |
N11 | C12 | H4 | 108.7° | 109.6° |
C13 | C14 | C15 | 117.9° | 118.4° |
C13 | C14 | C09 | 122.5° | 121.6° |
C14 | C13 | H5 | 108.5° | 109.3° |
C14 | C13 | H6 | 108.5° | 109.4° |
N11 | C10 | C09 | 112.6° | 110.5° |
C10 | N11 | H1 | 108.8° | 111.0° |
N11 | C10 | H11 | 108.7° | 109.2° |
N11 | C10 | H12 | 108.7° | 109.2° |
C15 | C14 | C09 | 119.6° | 120.0° |
C14 | C15 | C16 | 120.1° | 120.4° |
C14 | C15 | H7 | 120.0° | 119.8° |
C14 | C09 | C10 | 122.3° | 121.9° |
C14 | C09 | C08 | 120.2° | 119.8° |
C10 | C09 | C08 | 117.5° | 118.3° |
C09 | C10 | H11 | 108.7° | 109.3° |
C09 | C10 | H12 | 108.7° | 109.3° |
C15 | C16 | C07 | 120.1° | 119.8° |
C16 | C15 | H7 | 119.9° | 119.8° |
C15 | C16 | H8 | 120.0° | 120.1° |
C09 | C08 | C07 | 119.5° | 120.3° |
C09 | C08 | H10 | 120.2° | 119.9° |
C16 | C07 | C08 | 120.5° | 119.7° |
C16 | C07 | N06 | 120.2° | 120.2° |
C07 | C16 | H8 | 120.0° | 120.1° |
C08 | C07 | N06 | 119.3° | 120.1° |
C07 | C08 | H10 | 120.3° | 119.8° |
C07 | N06 | C05 | 126.4° | 120.0° |
C07 | N06 | H16 | 116.8° | 120.0° |
N06 | C05 | C17 | 123.3° | 120.3° |
N06 | C05 | C03 | 117.7° | 120.3° |
C05 | N06 | H16 | 116.8° | 120.0° |
C05 | C17 | N18 | 118.4° | 120.4° |
C17 | C05 | C03 | 119.0° | 119.5° |
C05 | C17 | H9 | 120.8° | 119.8° |
C17 | N18 | N19 | 123.5° | 121.1° |
N18 | C17 | H9 | 120.8° | 119.8° |
C05 | C03 | CL04 | 120.3° | 120.5° |
C05 | C03 | C02 | 117.8° | 119.0° |
N18 | N19 | C02 | 120.5° | 120.5° |
N18 | N19 | C20 | 119.9° | 119.7° |
CL04 | C03 | C02 | 121.8° | 120.5° |
C03 | C02 | N19 | 120.7° | 119.6° |
C03 | C02 | O01 | 119.6° | 120.2° |
C02 | N19 | C20 | 119.5° | 119.7° |
N19 | C02 | O01 | 119.7° | 120.2° |
N19 | C20 | H13 | 109.5° | 109.5° |
N19 | C20 | H14 | 109.5° | 109.4° |
N19 | C20 | H15 | 109.4° | 109.4° |
H3 | C12 | H4 | 109.5° | 109.8° |
H5 | C13 | H6 | 109.5° | 109.3° |
H11 | C10 | H12 | 109.4° | 109.3° |
H13 | C20 | H14 | 109.4° | 109.5° |
H13 | C20 | H15 | 109.5° | 109.5° |
H14 | C20 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | N11 | H3 | 120.5° | 119.7° |
C13 | C12 | N11 | H4 | 120.4° | 119.7° |
C12 | C13 | C14 | H5 | 120.6° | 120.1° |
C12 | C13 | C14 | H6 | 120.6° | 120.2° |
C13 | C12 | N11 | C10 | 58.1° | 71.3° |
C12 | C13 | C14 | C15 | 164.5° | 162.9° |
C12 | C13 | C14 | C09 | 14.1° | 17.1° |
C13 | C12 | N11 | H1 | 62.3° | 52.1° |
C13 | C12 | H3 | H4 | 118.6° | 120.5° |
C12 | C13 | H5 | H6 | 118.2° | 119.8° |
N11 | C12 | C13 | C14 | 43.9° | 50.5° |
C12 | N11 | C10 | H1 | 120.4° | 123.5° |
C12 | N11 | C10 | C09 | 41.0° | 52.5° |
N11 | C12 | H3 | H4 | 118.6° | 120.5° |
N11 | C12 | C13 | H5 | 164.4° | 170.6° |
N11 | C12 | C13 | H6 | 76.8° | 69.7° |
C12 | N11 | C10 | H11 | 161.5° | 172.8° |
C12 | N11 | C10 | H12 | 79.5° | 67.7° |
C13 | C14 | C15 | C09 | 178.7° | 179.9° |
C13 | C14 | C09 | C10 | 1.7° | 0.7° |
C13 | C14 | C15 | C16 | 178.7° | 179.8° |
C13 | C14 | C09 | C08 | 179.8° | 179.7° |
C14 | C13 | C12 | H3 | 164.3° | 69.2° |
C14 | C13 | C12 | H4 | 76.6° | 170.2° |
C14 | C13 | H5 | H6 | 118.2° | 119.7° |
C13 | C14 | C15 | H7 | 1.3° | 0.2° |
N11 | C10 | C09 | C14 | 11.6° | 17.7° |
N11 | C10 | C09 | H11 | 120.5° | 120.2° |
N11 | C10 | C09 | H12 | 120.5° | 120.2° |
N11 | C10 | C09 | C08 | 167.0° | 162.7° |
C10 | N11 | C12 | H3 | 178.6° | 48.4° |
C10 | N11 | C12 | H4 | 62.3° | 169.0° |
N11 | C10 | H11 | H12 | 118.6° | 119.5° |
C15 | C14 | C09 | C10 | 179.7° | 179.4° |
C14 | C15 | C16 | H7 | 180.0° | 180.0° |
C15 | C14 | C09 | C08 | 1.2° | 0.3° |
C14 | C15 | C16 | C07 | 0.8° | 0.0° |
C15 | C14 | C13 | H5 | 44.0° | 42.8° |
C15 | C14 | C13 | H6 | 74.9° | 76.9° |
C14 | C15 | C16 | H8 | 179.2° | 179.9° |
C14 | C09 | C10 | C08 | 178.5° | 179.6° |
C09 | C14 | C15 | C16 | 0.1° | 0.2° |
C14 | C09 | C08 | C07 | 1.7° | 0.2° |
C09 | C14 | C13 | H5 | 134.7° | 137.2° |
C09 | C14 | C13 | H6 | 106.5° | 103.1° |
C09 | C14 | C15 | H7 | 180.0° | 179.8° |
C14 | C09 | C08 | H10 | 178.3° | 179.8° |
C14 | C09 | C10 | H11 | 132.1° | 137.9° |
C14 | C09 | C10 | H12 | 108.9° | 102.6° |
C10 | C09 | C08 | C07 | 179.7° | 179.4° |
C09 | C10 | N11 | H1 | 79.4° | 70.9° |
C10 | C09 | C08 | H10 | 0.3° | 0.5° |
C09 | C10 | H11 | H12 | 118.6° | 119.6° |
C15 | C16 | C07 | H8 | 180.0° | 179.9° |
C15 | C16 | C07 | C08 | 0.3° | 0.1° |
C15 | C16 | C07 | N06 | 177.9° | 179.9° |
C09 | C08 | C07 | C16 | 1.0° | 0.0° |
C09 | C08 | C07 | H10 | 180.0° | 180.0° |
C09 | C08 | C07 | N06 | 179.1° | 180.0° |
C08 | C09 | C10 | H11 | 46.5° | 42.5° |
C08 | C09 | C10 | H12 | 72.6° | 77.1° |
C16 | C07 | C08 | N06 | 178.2° | 180.0° |
C16 | C07 | N06 | C05 | 72.6° | 7.2° |
C07 | C16 | C15 | H7 | 179.2° | 180.0° |
C16 | C07 | C08 | H10 | 179.0° | 180.0° |
C16 | C07 | N06 | H16 | 107.4° | 172.8° |
C08 | C07 | N06 | C05 | 109.2° | 172.8° |
C08 | C07 | C16 | H8 | 179.7° | 179.9° |
C08 | C07 | N06 | H16 | 70.8° | 7.2° |
C07 | N06 | C05 | H16 | 180.0° | 180.0° |
C07 | N06 | C05 | C17 | 5.5° | 58.3° |
C07 | N06 | C05 | C03 | 172.3° | 121.7° |
N06 | C07 | C16 | H8 | 2.1° | 0.2° |
N06 | C07 | C08 | H10 | 0.9° | 0.0° |
N06 | C05 | C17 | C03 | 177.8° | 179.9° |
N06 | C05 | C17 | N18 | 179.4° | 180.0° |
N06 | C05 | C03 | CL04 | 1.9° | 0.1° |
N06 | C05 | C03 | C02 | 178.4° | 179.9° |
N06 | C05 | C17 | H9 | 0.6° | 0.3° |
C05 | C17 | N18 | H9 | 180.0° | 179.7° |
C05 | C17 | N18 | N19 | 1.5° | 0.0° |
C17 | C05 | C03 | CL04 | 179.9° | 180.0° |
C17 | C05 | C03 | C02 | 0.4° | 0.0° |
C17 | C05 | N06 | H16 | 174.5° | 121.7° |
N18 | C17 | C05 | C03 | 1.6° | 0.0° |
C17 | N18 | N19 | C02 | 0.0° | 0.1° |
C17 | N18 | N19 | C20 | 178.6° | 180.0° |
C05 | C03 | CL04 | C02 | 179.7° | 180.0° |
C05 | C03 | C02 | N19 | 1.0° | 0.0° |
C05 | C03 | C02 | O01 | 179.4° | 179.9° |
C03 | C05 | C17 | H9 | 178.4° | 179.7° |
C03 | C05 | N06 | H16 | 7.7° | 58.2° |
N18 | N19 | C02 | C03 | 1.3° | 0.1° |
N18 | N19 | C02 | C20 | 178.6° | 180.0° |
N18 | N19 | C02 | O01 | 179.7° | 180.0° |
N19 | N18 | C17 | H9 | 178.5° | 179.7° |
N18 | N19 | C20 | H13 | 0.0° | 0.0° |
N18 | N19 | C20 | H14 | 120.0° | 120.0° |
N18 | N19 | C20 | H15 | 120.0° | 120.0° |
CL04 | C03 | C02 | N19 | 178.7° | 179.9° |
CL04 | C03 | C02 | O01 | 0.3° | 0.0° |
C03 | C02 | N19 | O01 | 178.4° | 179.9° |
C03 | C02 | N19 | C20 | 179.9° | 180.0° |
C02 | N19 | C20 | H13 | 178.6° | 180.0° |
C02 | N19 | C20 | H14 | 61.4° | 60.0° |
C02 | N19 | C20 | H15 | 58.6° | 60.0° |
C20 | N19 | C02 | O01 | 1.8° | 0.1° |
N19 | C20 | H13 | H14 | 120.0° | 120.0° |
N19 | C20 | H13 | H15 | 120.0° | 120.0° |
N19 | C20 | H14 | H15 | 120.0° | 120.0° |
H1 | N11 | C12 | H3 | 58.1° | 171.9° |
H1 | N11 | C12 | H4 | 177.2° | 67.6° |
H1 | N11 | C10 | H11 | 41.1° | 49.3° |
H1 | N11 | C10 | H12 | 160.1° | 168.8° |
H3 | C12 | C13 | H5 | 75.1° | 50.9° |
H3 | C12 | C13 | H6 | 43.7° | 170.6° |
H4 | C12 | C13 | H5 | 44.0° | 69.7° |
H4 | C12 | C13 | H6 | 162.8° | 50.0° |
H7 | C15 | C16 | H8 | 0.8° | 0.1° |
H13 | C20 | H14 | H15 | 120.0° | 120.1° |