ZP2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | O14 | sing | 1.43Å | 1.40Å | |
O10 | C09 | doub | 1.22Å | 1.18Å | |
O14 | C13 | sing | 1.36Å | 1.40Å | |
C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
C13 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
C09 | C11 | sing | 1.47Å | 1.53Å | |
C09 | C07 | sing | 1.48Å | 1.53Å | |
C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
C08 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
O01 | C02 | sing | 1.36Å | 1.40Å | |
C16 | O17 | sing | 1.36Å | 1.40Å | |
C16 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | N20 | sing | 1.48Å | 1.45Å | |
O21 | N20 | sing | 1.22Å | 1.40Å | |
N20 | O22 | doub | 1.22Å | 1.17Å | |
C06 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
C04 | F05 | sing | 1.35Å | 1.36Å | |
O17 | H1 | sing | 0.97Å | 0.95Å | |
C03 | H2 | sing | 1.08Å | 1.08Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.08Å | 1.08Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C19 | H9 | sing | 1.08Å | 1.08Å | |
O01 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | O14 | C13 | 115.5° | 117.0° |
O14 | C15 | H6 | 109.5° | 109.4° |
O14 | C15 | H7 | 109.4° | 109.5° |
O14 | C15 | H8 | 109.5° | 109.5° |
O10 | C09 | C11 | 117.5° | 120.0° |
O10 | C09 | C07 | 117.2° | 120.0° |
O14 | C13 | C12 | 120.9° | 120.0° |
O14 | C13 | C16 | 119.8° | 120.0° |
C13 | C12 | C11 | 121.2° | 119.8° |
C12 | C13 | C16 | 119.3° | 120.0° |
C13 | C12 | H5 | 119.4° | 120.1° |
C12 | C11 | C09 | 118.1° | 120.1° |
C12 | C11 | C19 | 119.4° | 119.8° |
C11 | C12 | H5 | 119.4° | 120.1° |
C13 | C16 | O17 | 119.5° | 119.9° |
C13 | C16 | C18 | 120.0° | 120.1° |
C11 | C09 | C07 | 125.3° | 120.0° |
C09 | C11 | C19 | 122.5° | 120.1° |
C09 | C07 | C08 | 118.4° | 120.1° |
C09 | C07 | C06 | 122.0° | 120.1° |
C07 | C08 | C02 | 120.8° | 119.8° |
C08 | C07 | C06 | 119.6° | 119.8° |
C07 | C08 | H4 | 119.6° | 120.1° |
C08 | C02 | O01 | 121.8° | 119.9° |
C08 | C02 | C03 | 119.3° | 120.1° |
C02 | C08 | H4 | 119.6° | 120.1° |
C11 | C19 | C18 | 119.6° | 120.0° |
C11 | C19 | H9 | 120.2° | 120.0° |
O01 | C02 | C03 | 118.9° | 120.0° |
C02 | O01 | H10 | 109.5° | 114.0° |
O17 | C16 | C18 | 120.5° | 120.0° |
C16 | O17 | H1 | 109.5° | 114.0° |
C16 | C18 | C19 | 120.5° | 120.2° |
C16 | C18 | N20 | 120.0° | 119.9° |
C07 | C06 | C04 | 119.1° | 119.9° |
C07 | C06 | H3 | 120.4° | 120.0° |
C02 | C03 | C04 | 120.2° | 120.3° |
C02 | C03 | H2 | 119.9° | 119.9° |
C19 | C18 | N20 | 119.5° | 119.9° |
C18 | C19 | H9 | 120.2° | 120.0° |
C18 | N20 | O21 | 120.6° | 120.0° |
C18 | N20 | O22 | 119.6° | 120.0° |
O21 | N20 | O22 | 119.8° | 120.0° |
C06 | C04 | C03 | 120.9° | 120.1° |
C06 | C04 | F05 | 121.2° | 119.9° |
C04 | C06 | H3 | 120.4° | 120.0° |
C03 | C04 | F05 | 117.9° | 119.9° |
C04 | C03 | H2 | 119.9° | 119.9° |
H6 | C15 | H7 | 109.5° | 109.5° |
H6 | C15 | H8 | 109.4° | 109.5° |
H7 | C15 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | O14 | C13 | C12 | 1.8° | 0.0° |
C15 | O14 | C13 | C16 | 178.0° | 180.0° |
O14 | C15 | H6 | H7 | 120.0° | 120.0° |
O14 | C15 | H6 | H8 | 120.0° | 120.0° |
O14 | C15 | H7 | H8 | 120.0° | 120.0° |
O10 | C09 | C11 | C12 | 22.1° | 172.1° |
O10 | C09 | C11 | C07 | 179.5° | 180.0° |
O10 | C09 | C07 | C08 | 39.3° | 34.0° |
O10 | C09 | C11 | C19 | 157.0° | 7.7° |
O10 | C09 | C07 | C06 | 139.3° | 146.0° |
O14 | C13 | C12 | C16 | 179.7° | 180.0° |
O14 | C13 | C12 | C11 | 179.5° | 180.0° |
O14 | C13 | C16 | O17 | 0.1° | 0.0° |
O14 | C13 | C16 | C18 | 180.0° | 180.0° |
O14 | C13 | C12 | H5 | 0.4° | 0.0° |
C13 | O14 | C15 | H6 | 180.0° | 60.0° |
C13 | O14 | C15 | H7 | 60.0° | 60.0° |
C13 | O14 | C15 | H8 | 60.0° | 180.0° |
C13 | C12 | C11 | H5 | 180.0° | 180.0° |
C13 | C12 | C11 | C09 | 179.8° | 179.7° |
C13 | C12 | C11 | C19 | 1.0° | 0.0° |
C12 | C13 | C16 | O17 | 179.8° | 180.0° |
C12 | C13 | C16 | C18 | 0.3° | 0.0° |
C11 | C12 | C13 | C16 | 0.8° | 0.0° |
C12 | C11 | C09 | C19 | 179.2° | 179.7° |
C12 | C11 | C09 | C07 | 157.3° | 7.9° |
C12 | C11 | C19 | C18 | 0.7° | 0.0° |
C12 | C11 | C19 | H9 | 179.3° | 179.7° |
C13 | C16 | O17 | C18 | 180.0° | 180.0° |
C13 | C16 | C18 | C19 | 0.0° | 0.0° |
C13 | C16 | C18 | N20 | 180.0° | 180.0° |
C13 | C16 | O17 | H1 | 173.4° | 90.0° |
C16 | C13 | C12 | H5 | 179.3° | 180.0° |
C11 | C09 | C07 | C08 | 141.2° | 146.0° |
C11 | C09 | C07 | C06 | 40.1° | 34.0° |
C09 | C11 | C19 | C18 | 179.8° | 179.7° |
C09 | C11 | C12 | H5 | 0.1° | 0.3° |
C09 | C11 | C19 | H9 | 0.2° | 0.0° |
C09 | C07 | C08 | C06 | 178.7° | 180.0° |
C09 | C07 | C08 | C02 | 179.5° | 180.0° |
C07 | C09 | C11 | C19 | 23.5° | 172.4° |
C09 | C07 | C06 | C04 | 179.4° | 180.0° |
C09 | C07 | C06 | H3 | 0.6° | 0.1° |
C09 | C07 | C08 | H4 | 0.5° | 0.1° |
C07 | C08 | C02 | H4 | 180.0° | 179.9° |
C07 | C08 | C02 | O01 | 179.8° | 179.7° |
C07 | C08 | C02 | C03 | 0.4° | 0.1° |
C08 | C07 | C06 | C04 | 0.7° | 0.0° |
C08 | C07 | C06 | H3 | 179.2° | 179.9° |
C08 | C02 | O01 | C03 | 179.9° | 179.8° |
C02 | C08 | C07 | C06 | 0.8° | 0.0° |
C08 | C02 | C03 | C04 | 0.1° | 0.1° |
C08 | C02 | C03 | H2 | 179.9° | 180.0° |
C08 | C02 | O01 | H10 | 180.0° | 90.2° |
C11 | C19 | C18 | C16 | 0.2° | 0.0° |
C11 | C19 | C18 | H9 | 180.0° | 179.7° |
C11 | C19 | C18 | N20 | 179.8° | 180.0° |
C19 | C11 | C12 | H5 | 179.1° | 180.0° |
O01 | C02 | C03 | C04 | 179.8° | 179.7° |
O01 | C02 | C03 | H2 | 0.2° | 0.2° |
O01 | C02 | C08 | H4 | 0.2° | 0.1° |
O17 | C16 | C18 | C19 | 179.9° | 180.0° |
O17 | C16 | C18 | N20 | 0.0° | 0.0° |
C16 | C18 | C19 | N20 | 180.0° | 180.0° |
C16 | C18 | N20 | O21 | 13.8° | 0.0° |
C16 | C18 | N20 | O22 | 165.9° | 180.0° |
C18 | C16 | O17 | H1 | 6.6° | 90.0° |
C16 | C18 | C19 | H9 | 179.8° | 179.7° |
C07 | C06 | C04 | H3 | 180.0° | 179.9° |
C07 | C06 | C04 | C03 | 0.3° | 0.0° |
C07 | C06 | C04 | F05 | 179.8° | 180.0° |
C06 | C07 | C08 | H4 | 179.2° | 179.9° |
C02 | C03 | C04 | C06 | 0.1° | 0.0° |
C02 | C03 | C04 | H2 | 180.0° | 179.9° |
C02 | C03 | C04 | F05 | 179.8° | 179.9° |
C03 | C02 | C08 | H4 | 179.6° | 180.0° |
C03 | C02 | O01 | H10 | 0.1° | 89.9° |
C19 | C18 | N20 | O21 | 166.2° | 180.0° |
C19 | C18 | N20 | O22 | 14.1° | 0.0° |
C18 | N20 | O21 | O22 | 179.7° | 180.0° |
N20 | C18 | C19 | H9 | 0.2° | 0.3° |
C06 | C04 | C03 | F05 | 179.9° | 180.0° |
C06 | C04 | C03 | H2 | 179.9° | 180.0° |
C03 | C04 | C06 | H3 | 179.7° | 179.9° |
F05 | C04 | C03 | H2 | 0.2° | 0.0° |
F05 | C04 | C06 | H3 | 0.2° | 0.1° |
H6 | C15 | H7 | H8 | 120.0° | 120.0° |