ZWO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
C20 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | N2 | sing | 1.42Å | 1.41Å | |
C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | C8 | sing | 1.39Å | 1.44Å | Aromatic |
C7 | N2 | sing | 1.43Å | 1.33Å | |
C7 | N1 | sing | 1.46Å | 1.31Å | |
C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
N2 | RU2 | sing | 1.93Å | 2.04Å | |
C8 | N1 | sing | 1.39Å | 1.46Å | |
C8 | C9 | doub | 1.39Å | 1.35Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
N1 | RU1 | sing | 1.91Å | 2.05Å | |
O6 | RU2 | sing | 1.82Å | 2.04Å | |
O6 | C5 | sing | 1.35Å | 1.28Å | |
RU2 | O2 | sing | 1.82Å | 2.03Å | |
RU2 | RU1 | sing | 2.45Å | 2.26Å | |
RU2 | O4 | sing | 1.84Å | 2.06Å | |
O7 | C5 | doub | 1.25Å | 1.25Å | |
C5 | O5 | sing | 1.30Å | 1.32Å | |
O2 | C1 | sing | 1.35Å | 1.27Å | |
C1 | O8 | doub | 1.25Å | 1.45Å | |
C1 | O1 | sing | 1.30Å | 1.31Å | |
O5 | RU1 | sing | 1.83Å | 2.05Å | |
RU1 | O1 | sing | 1.84Å | 2.04Å | |
RU1 | O3 | sing | 1.81Å | 2.06Å | |
O4 | C3 | sing | 1.31Å | 1.29Å | |
O3 | C3 | sing | 1.35Å | 1.32Å | |
C3 | O9 | doub | 1.24Å | 1.24Å | |
C7 | H1 | sing | 1.10Å | 1.10Å | |
C7 | H2 | sing | 1.11Å | 1.10Å | |
C20 | H3 | sing | 1.08Å | 1.08Å | |
C9 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H5 | sing | 1.08Å | 1.08Å | |
C13 | H6 | sing | 1.08Å | 1.08Å | |
C16 | H7 | sing | 1.08Å | 1.08Å | |
C17 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å | |
C18 | H11 | sing | 1.08Å | 1.08Å | |
C19 | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C19 | C18 | C17 | 118.4° | 120.1° |
C18 | C19 | C20 | 119.7° | 120.1° |
C19 | C18 | H11 | 120.8° | 120.0° |
C18 | C19 | H12 | 120.2° | 120.0° |
C18 | C17 | C16 | 122.5° | 120.1° |
C18 | C17 | H8 | 118.7° | 120.0° |
C17 | C18 | H11 | 120.8° | 119.9° |
C19 | C20 | C15 | 121.5° | 119.9° |
C19 | C20 | H3 | 119.2° | 120.0° |
C20 | C19 | H12 | 120.1° | 119.9° |
C17 | C16 | C15 | 120.3° | 119.9° |
C17 | C16 | H7 | 119.8° | 120.1° |
C16 | C17 | H8 | 118.7° | 119.9° |
C20 | C15 | C16 | 117.4° | 119.8° |
C20 | C15 | N2 | 121.3° | 120.0° |
C15 | C20 | H3 | 119.2° | 120.1° |
C16 | C15 | N2 | 121.2° | 120.1° |
C15 | C16 | H7 | 119.8° | 120.0° |
C15 | N2 | C7 | 114.9° | 118.9° |
C15 | N2 | RU2 | 124.3° | 122.1° |
C13 | C12 | C11 | 119.4° | 120.1° |
C12 | C13 | C8 | 120.6° | 119.9° |
C12 | C13 | H6 | 119.7° | 120.0° |
C13 | C12 | H10 | 120.3° | 119.9° |
C12 | C11 | C10 | 120.0° | 120.2° |
C12 | C11 | H9 | 120.0° | 119.9° |
C11 | C12 | H10 | 120.3° | 120.0° |
C13 | C8 | N1 | 122.2° | 120.1° |
C13 | C8 | C9 | 117.9° | 119.8° |
C8 | C13 | H6 | 119.7° | 120.1° |
N2 | C7 | N1 | 119.5° | 124.4° |
C7 | N2 | RU2 | 120.7° | 119.0° |
N2 | C7 | H1 | 106.9° | 105.9° |
N2 | C7 | H2 | 106.9° | 105.8° |
C7 | N1 | C8 | 115.4° | 127.5° |
C7 | N1 | RU1 | 118.8° | 105.1° |
N1 | C7 | H1 | 106.9° | 107.1° |
N1 | C7 | H2 | 106.9° | 106.8° |
C11 | C10 | C9 | 120.0° | 120.1° |
C11 | C10 | H5 | 120.0° | 120.0° |
C10 | C11 | H9 | 120.0° | 119.9° |
N2 | RU2 | O6 | 90.9° | 90.6° |
N2 | RU2 | O2 | 92.4° | 95.4° |
N2 | RU2 | RU1 | 89.4° | 84.6° |
N2 | RU2 | O4 | 179.1° | 162.8° |
N1 | C8 | C9 | 119.9° | 120.1° |
C8 | N1 | RU1 | 124.6° | 127.3° |
C8 | C9 | C10 | 122.1° | 119.9° |
C8 | C9 | H4 | 119.0° | 120.0° |
C10 | C9 | H4 | 119.0° | 120.1° |
C9 | C10 | H5 | 120.0° | 120.0° |
N1 | RU1 | RU2 | 91.2° | 95.2° |
N1 | RU1 | O5 | 92.9° | 92.1° |
N1 | RU1 | O1 | 88.8° | 85.2° |
N1 | RU1 | O3 | 174.9° | 167.7° |
RU2 | O6 | C5 | 124.5° | 105.9° |
O6 | RU2 | O2 | 176.6° | 169.6° |
O6 | RU2 | RU1 | 88.6° | 94.0° |
O6 | RU2 | O4 | 88.2° | 88.8° |
O6 | C5 | O7 | 118.2° | 116.4° |
O6 | C5 | O5 | 115.5° | 127.7° |
O2 | RU2 | RU1 | 92.2° | 95.0° |
O2 | RU2 | O4 | 88.5° | 88.0° |
RU2 | O2 | C1 | 113.7° | 104.9° |
RU1 | RU2 | O4 | 90.6° | 78.3° |
RU2 | RU1 | O5 | 89.6° | 80.5° |
RU2 | RU1 | O1 | 89.8° | 81.2° |
RU2 | RU1 | O3 | 89.4° | 96.4° |
RU2 | O4 | C3 | 118.7° | 118.1° |
O7 | C5 | O5 | 126.3° | 115.9° |
C5 | O5 | RU1 | 121.8° | 122.8° |
O2 | C1 | O8 | 109.7° | 117.2° |
O2 | C1 | O1 | 129.4° | 125.7° |
O8 | C1 | O1 | 120.8° | 117.1° |
C1 | O1 | RU1 | 114.8° | 122.3° |
O5 | RU1 | O1 | 178.1° | 161.2° |
O5 | RU1 | O3 | 92.1° | 93.9° |
O1 | RU1 | O3 | 86.1° | 92.5° |
RU1 | O3 | C3 | 118.7° | 106.4° |
O4 | C3 | O3 | 120.8° | 123.1° |
O4 | C3 | O9 | 119.0° | 118.0° |
O3 | C3 | O9 | 120.2° | 118.9° |
H1 | C7 | H2 | 109.5° | 105.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C19 | C18 | C17 | H11 | 180.0° | 179.6° |
C18 | C19 | C20 | H12 | 180.0° | 179.6° |
C19 | C18 | C17 | C16 | 1.3° | 0.3° |
C18 | C19 | C20 | C15 | 0.4° | 0.4° |
C18 | C19 | C20 | H3 | 179.5° | 179.8° |
C19 | C18 | C17 | H8 | 178.7° | 179.8° |
C17 | C18 | C19 | C20 | 2.6° | 0.5° |
C18 | C17 | C16 | H8 | 180.0° | 179.9° |
C18 | C17 | C16 | C15 | 2.3° | 0.0° |
C18 | C17 | C16 | H7 | 177.7° | 179.9° |
C17 | C18 | C19 | H12 | 177.4° | 179.9° |
C19 | C20 | C15 | H3 | 180.0° | 179.8° |
C19 | C20 | C15 | C16 | 3.0° | 0.1° |
C19 | C20 | C15 | N2 | 178.0° | 179.8° |
C20 | C19 | C18 | H11 | 177.4° | 180.0° |
C17 | C16 | C15 | C20 | 4.3° | 0.1° |
C17 | C16 | C15 | H7 | 180.0° | 179.9° |
C17 | C16 | C15 | N2 | 179.3° | 180.0° |
C16 | C17 | C18 | H11 | 178.7° | 179.8° |
C20 | C15 | C16 | N2 | 175.0° | 179.9° |
C20 | C15 | N2 | C7 | 60.3° | 0.1° |
C20 | C15 | N2 | RU2 | 118.9° | 180.0° |
C20 | C15 | C16 | H7 | 175.7° | 180.0° |
C15 | C20 | C19 | H12 | 179.6° | 180.0° |
C16 | C15 | N2 | C7 | 125.0° | 180.0° |
C16 | C15 | N2 | RU2 | 55.9° | 0.1° |
C16 | C15 | C20 | H3 | 177.0° | 179.9° |
C15 | C16 | C17 | H8 | 177.7° | 179.9° |
C15 | N2 | C7 | RU2 | 179.2° | 179.9° |
C15 | N2 | C7 | N1 | 173.5° | 167.7° |
C15 | N2 | RU2 | O6 | 93.5° | 74.9° |
C15 | N2 | RU2 | O2 | 85.8° | 96.6° |
C15 | N2 | RU2 | RU1 | 177.9° | 168.9° |
C15 | N2 | RU2 | O4 | 93.3° | 162.5° |
C15 | N2 | C7 | H1 | 52.1° | 67.9° |
C15 | N2 | C7 | H2 | 65.1° | 43.8° |
N2 | C15 | C20 | H3 | 2.0° | 0.0° |
N2 | C15 | C16 | H7 | 0.7° | 0.1° |
C13 | C12 | C11 | H10 | 180.0° | 179.7° |
C12 | C13 | C8 | H6 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 0.1° | 0.3° |
C12 | C13 | C8 | N1 | 179.3° | 180.0° |
C12 | C13 | C8 | C9 | 1.4° | 0.0° |
C13 | C12 | C11 | H9 | 179.9° | 179.8° |
C11 | C12 | C13 | C8 | 0.2° | 0.2° |
C12 | C11 | C10 | H9 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 2.0° | 0.0° |
C12 | C11 | C10 | H5 | 178.0° | 180.0° |
C11 | C12 | C13 | H6 | 179.8° | 179.7° |
C13 | C8 | N1 | C7 | 48.9° | 179.7° |
C13 | C8 | N1 | C9 | 179.3° | 179.9° |
C13 | C8 | C9 | C10 | 3.3° | 0.3° |
C13 | C8 | N1 | RU1 | 118.1° | 0.1° |
C13 | C8 | C9 | H4 | 176.6° | 180.0° |
C8 | C13 | C12 | H10 | 179.8° | 180.0° |
N2 | C7 | N1 | H1 | 121.4° | 123.8° |
N2 | C7 | N1 | H2 | 121.4° | 123.4° |
N2 | C7 | N1 | C8 | 175.8° | 146.7° |
N2 | C7 | N1 | RU1 | 8.0° | 33.6° |
C7 | N2 | RU2 | O6 | 85.7° | 105.2° |
C7 | N2 | RU2 | O2 | 95.1° | 83.3° |
C7 | N2 | RU2 | RU1 | 2.9° | 11.2° |
C7 | N2 | RU2 | O4 | 85.8° | 17.5° |
N2 | C7 | H1 | H2 | 115.5° | 111.9° |
N1 | C7 | N2 | RU2 | 7.3° | 12.2° |
C7 | N1 | C8 | RU1 | 167.0° | 179.6° |
C7 | N1 | C8 | C9 | 130.5° | 0.4° |
C7 | N1 | RU1 | RU2 | 4.8° | 32.2° |
C7 | N1 | RU1 | O5 | 84.9° | 48.5° |
C7 | N1 | RU1 | O1 | 94.5° | 112.8° |
C7 | N1 | RU1 | O3 | 101.1° | 167.4° |
N1 | C7 | H1 | H2 | 115.4° | 113.6° |
C11 | C10 | C9 | C8 | 3.7° | 0.3° |
C11 | C10 | C9 | H5 | 180.0° | 180.0° |
C11 | C10 | C9 | H4 | 176.2° | 180.0° |
C10 | C11 | C12 | H10 | 179.9° | 180.0° |
N2 | RU2 | RU1 | N1 | 0.8° | 23.0° |
N2 | RU2 | O6 | O2 | 167.3° | 125.2° |
N2 | RU2 | O6 | RU1 | 89.3° | 84.6° |
N2 | RU2 | O6 | O4 | 180.0° | 162.8° |
N2 | RU2 | O6 | C5 | 91.6° | 57.1° |
N2 | RU2 | O2 | RU1 | 89.5° | 85.0° |
N2 | RU2 | O2 | O4 | 180.0° | 163.1° |
N2 | RU2 | RU1 | O4 | 179.1° | 178.1° |
N2 | RU2 | O2 | C1 | 86.7° | 111.1° |
N2 | RU2 | RU1 | O5 | 92.2° | 68.3° |
N2 | RU2 | RU1 | O1 | 89.6° | 107.3° |
N2 | RU2 | RU1 | O3 | 175.7° | 161.2° |
N2 | RU2 | O4 | C3 | 88.5° | 30.1° |
RU2 | N2 | C7 | H1 | 128.7° | 112.1° |
RU2 | N2 | C7 | H2 | 114.1° | 136.1° |
N1 | C8 | C9 | C10 | 177.3° | 179.7° |
C8 | N1 | RU1 | RU2 | 171.4° | 148.1° |
C8 | N1 | RU1 | O5 | 81.7° | 131.2° |
C8 | N1 | RU1 | O1 | 98.9° | 67.5° |
C8 | N1 | RU1 | O3 | 92.3° | 12.2° |
C8 | N1 | C7 | H1 | 62.7° | 89.5° |
C8 | N1 | C7 | H2 | 54.4° | 23.3° |
N1 | C8 | C9 | H4 | 2.7° | 0.1° |
N1 | C8 | C13 | H6 | 0.7° | 0.0° |
C8 | C9 | C10 | H4 | 180.0° | 179.7° |
C9 | C8 | N1 | RU1 | 62.5° | 180.0° |
C8 | C9 | C10 | H5 | 176.3° | 179.7° |
C9 | C8 | C13 | H6 | 178.6° | 180.0° |
C9 | C10 | C11 | H9 | 178.0° | 180.0° |
N1 | RU1 | RU2 | O6 | 91.7° | 113.1° |
N1 | RU1 | RU2 | O2 | 91.6° | 72.0° |
N1 | RU1 | RU2 | O5 | 92.9° | 91.2° |
N1 | RU1 | RU2 | O1 | 88.8° | 84.3° |
N1 | RU1 | RU2 | O3 | 175.0° | 175.9° |
N1 | RU1 | RU2 | O4 | 179.8° | 158.9° |
N1 | RU1 | O5 | C5 | 90.2° | 110.2° |
N1 | RU1 | O1 | C1 | 94.6° | 100.3° |
N1 | RU1 | O5 | O1 | 161.4° | 81.1° |
N1 | RU1 | O5 | O3 | 179.5° | 169.2° |
N1 | RU1 | O1 | O3 | 179.4° | 167.9° |
N1 | RU1 | O3 | C3 | 108.9° | 160.9° |
RU1 | N1 | C7 | H1 | 129.4° | 90.2° |
RU1 | N1 | C7 | H2 | 113.4° | 157.1° |
O6 | RU2 | O2 | RU1 | 103.3° | 150.2° |
O6 | RU2 | O2 | O4 | 12.7° | 72.1° |
O6 | RU2 | RU1 | O4 | 88.1° | 87.9° |
RU2 | O6 | C5 | O7 | 175.4° | 154.3° |
RU2 | O6 | C5 | O5 | 2.0° | 25.8° |
O6 | RU2 | O2 | C1 | 106.0° | 124.1° |
O6 | RU2 | RU1 | O5 | 1.2° | 21.9° |
O6 | RU2 | RU1 | O1 | 179.5° | 162.6° |
O6 | RU2 | RU1 | O3 | 93.4° | 71.0° |
O6 | RU2 | O4 | C3 | 88.3° | 57.8° |
C5 | O6 | RU2 | O2 | 101.1° | 177.7° |
C5 | O6 | RU2 | RU1 | 2.2° | 27.5° |
C5 | O6 | RU2 | O4 | 88.4° | 105.7° |
O6 | C5 | O7 | O5 | 177.0° | 179.9° |
O6 | C5 | O5 | RU1 | 0.4° | 2.9° |
O2 | RU2 | RU1 | O4 | 88.5° | 86.9° |
RU2 | O2 | C1 | O8 | 175.8° | 140.5° |
RU2 | O2 | C1 | O1 | 0.7° | 39.6° |
O2 | RU2 | RU1 | O5 | 175.4° | 163.2° |
O2 | RU2 | RU1 | O1 | 2.8° | 12.3° |
O2 | RU2 | RU1 | O3 | 83.3° | 103.9° |
O2 | RU2 | O4 | C3 | 92.4° | 132.0° |
RU2 | RU1 | O5 | C5 | 0.9° | 15.3° |
RU1 | RU2 | O2 | C1 | 2.8° | 26.1° |
RU2 | RU1 | O1 | C1 | 3.4° | 4.3° |
RU2 | RU1 | O5 | O1 | 70.3° | 13.8° |
RU2 | RU1 | O5 | O3 | 89.4° | 95.9° |
RU2 | RU1 | O1 | O3 | 89.4° | 96.1° |
RU1 | RU2 | O4 | C3 | 0.3° | 36.6° |
RU2 | RU1 | O3 | C3 | 12.5° | 0.6° |
O4 | RU2 | O2 | C1 | 93.3° | 52.0° |
O4 | RU2 | RU1 | O5 | 86.9° | 109.8° |
O4 | RU2 | RU1 | O1 | 91.3° | 74.7° |
O4 | RU2 | RU1 | O3 | 5.2° | 16.9° |
RU2 | O4 | C3 | O3 | 10.0° | 54.3° |
RU2 | O4 | C3 | O9 | 170.2° | 125.8° |
O7 | C5 | O5 | RU1 | 176.7° | 177.2° |
C5 | O5 | RU1 | O1 | 71.2° | 29.2° |
C5 | O5 | RU1 | O3 | 90.3° | 80.5° |
O2 | C1 | O8 | O1 | 176.9° | 179.9° |
O2 | C1 | O1 | RU1 | 2.3° | 30.3° |
O8 | C1 | O1 | RU1 | 178.5° | 149.7° |
C1 | O1 | RU1 | O5 | 66.9° | 18.1° |
C1 | O1 | RU1 | O3 | 86.0° | 91.9° |
O5 | RU1 | O1 | O3 | 19.2° | 109.9° |
O5 | RU1 | O3 | C3 | 77.1° | 80.3° |
O1 | RU1 | O3 | C3 | 102.3° | 82.0° |
RU1 | O3 | C3 | O4 | 16.0° | 30.0° |
RU1 | O3 | C3 | O9 | 164.2° | 150.2° |
O4 | C3 | O3 | O9 | 179.8° | 179.8° |
H3 | C20 | C19 | H12 | 0.4° | 0.2° |
H4 | C9 | C10 | H5 | 3.7° | 0.0° |
H5 | C10 | C11 | H9 | 2.0° | 0.0° |
H6 | C13 | C12 | H10 | 0.2° | 0.0° |
H7 | C16 | C17 | H8 | 2.2° | 0.0° |
H8 | C17 | C18 | H11 | 1.3° | 0.2° |
H9 | C11 | C12 | H10 | 0.1° | 0.0° |
H11 | C18 | C19 | H12 | 2.6° | 0.3° |