ZW5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C10 | sing | 1.53Å | 1.57Å | |
C09 | N08 | sing | 1.47Å | 1.45Å | |
C10 | N11 | sing | 1.47Å | 1.44Å | |
N11 | C12 | sing | 1.47Å | 1.45Å | |
C07 | N08 | sing | 1.47Å | 1.26Å | |
C07 | C06 | sing | 1.51Å | 1.53Å | |
N08 | C13 | sing | 1.47Å | 1.44Å | |
C13 | C12 | sing | 1.53Å | 1.56Å | |
C14 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
F16 | C15 | sing | 1.35Å | 1.33Å | |
C15 | C03 | doub | 1.39Å | 1.37Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.35Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.46Å | Aromatic |
C03 | O02 | sing | 1.36Å | 1.40Å | |
O02 | C01 | sing | 1.43Å | 1.43Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.08Å | 1.08Å | |
C05 | H9 | sing | 1.08Å | 1.08Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C09 | H13 | sing | 1.09Å | 1.10Å | |
C09 | H14 | sing | 1.09Å | 1.10Å | |
N11 | H15 | sing | 1.01Å | 1.00Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C14 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C09 | N08 | 113.8° | 109.4° |
C09 | C10 | N11 | 114.9° | 109.3° |
C09 | C10 | H1 | 108.1° | 109.4° |
C09 | C10 | H2 | 108.1° | 109.5° |
C10 | C09 | H13 | 108.4° | 109.5° |
C10 | C09 | H14 | 108.4° | 109.5° |
C09 | N08 | C07 | 106.8° | 111.0° |
C09 | N08 | C13 | 114.2° | 110.8° |
N08 | C09 | H13 | 108.4° | 109.5° |
N08 | C09 | H14 | 108.4° | 109.5° |
C10 | N11 | C12 | 118.3° | 110.9° |
N11 | C10 | H1 | 108.1° | 109.5° |
N11 | C10 | H2 | 108.1° | 109.6° |
C10 | N11 | H15 | 107.2° | 111.0° |
N11 | C12 | C13 | 114.4° | 109.3° |
C12 | N11 | H15 | 107.2° | 111.0° |
N11 | C12 | H17 | 108.2° | 109.5° |
N11 | C12 | H18 | 108.2° | 109.5° |
N08 | C07 | C06 | 116.2° | 109.4° |
C07 | N08 | C13 | 110.7° | 111.0° |
N08 | C07 | H10 | 107.7° | 109.5° |
N08 | C07 | H11 | 107.8° | 109.5° |
C07 | C06 | C14 | 117.7° | 119.9° |
C07 | C06 | C05 | 122.3° | 119.9° |
C06 | C07 | H10 | 107.8° | 109.5° |
C06 | C07 | H11 | 107.8° | 109.5° |
N08 | C13 | C12 | 113.2° | 109.3° |
N08 | C13 | H3 | 108.5° | 109.5° |
N08 | C13 | H4 | 108.6° | 109.5° |
C12 | C13 | H3 | 108.5° | 109.5° |
C12 | C13 | H4 | 108.5° | 109.5° |
C13 | C12 | H17 | 108.2° | 109.5° |
C13 | C12 | H18 | 108.3° | 109.5° |
C06 | C14 | C15 | 119.9° | 120.0° |
C14 | C06 | C05 | 119.8° | 120.2° |
C06 | C14 | H19 | 120.1° | 120.0° |
C14 | C15 | F16 | 119.4° | 120.1° |
C14 | C15 | C03 | 120.9° | 119.9° |
C15 | C14 | H19 | 120.0° | 120.0° |
C06 | C05 | C04 | 119.9° | 120.1° |
C06 | C05 | H9 | 120.1° | 119.9° |
F16 | C15 | C03 | 119.7° | 120.0° |
C15 | C03 | C04 | 119.1° | 119.9° |
C15 | C03 | O02 | 117.2° | 120.0° |
C05 | C04 | C03 | 120.4° | 120.0° |
C05 | C04 | H8 | 119.8° | 120.0° |
C04 | C05 | H9 | 120.0° | 120.0° |
C04 | C03 | O02 | 123.7° | 120.1° |
C03 | C04 | H8 | 119.8° | 120.0° |
C03 | O02 | C01 | 120.0° | 117.0° |
O02 | C01 | H5 | 109.5° | 109.5° |
O02 | C01 | H6 | 109.5° | 109.4° |
O02 | C01 | H7 | 109.5° | 109.5° |
H1 | C10 | H2 | 109.5° | 109.5° |
H3 | C13 | H4 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H7 | 109.4° | 109.5° |
H6 | C01 | H7 | 109.5° | 109.4° |
H10 | C07 | H11 | 109.5° | 109.5° |
H13 | C09 | H14 | 109.5° | 109.5° |
H17 | C12 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C09 | N08 | H13 | 120.6° | 120.0° |
C10 | C09 | N08 | H14 | 120.7° | 119.9° |
C09 | C10 | N11 | H1 | 120.8° | 119.9° |
C09 | C10 | N11 | H2 | 120.8° | 120.0° |
C09 | C10 | N11 | C12 | 35.1° | 59.3° |
C10 | C09 | N08 | C07 | 172.3° | 176.8° |
C10 | C09 | N08 | C13 | 49.5° | 59.4° |
C09 | C10 | H1 | H2 | 117.5° | 120.0° |
C10 | C09 | H13 | H14 | 118.0° | 120.0° |
C09 | C10 | N11 | H15 | 156.4° | 176.8° |
N08 | C09 | C10 | N11 | 40.4° | 58.4° |
C09 | N08 | C07 | C13 | 125.0° | 123.7° |
C09 | N08 | C07 | C06 | 168.0° | 66.2° |
C09 | N08 | C13 | C12 | 51.4° | 59.4° |
N08 | C09 | C10 | H1 | 80.4° | 61.5° |
N08 | C09 | C10 | H2 | 161.1° | 178.4° |
C09 | N08 | C13 | H3 | 69.1° | 60.6° |
C09 | N08 | C13 | H4 | 172.0° | 179.3° |
C09 | N08 | C07 | H10 | 71.1° | 53.8° |
C09 | N08 | C07 | H11 | 47.0° | 173.8° |
N08 | C09 | H13 | H14 | 118.0° | 120.0° |
C10 | N11 | C12 | H15 | 121.2° | 123.9° |
C10 | N11 | C12 | C13 | 37.0° | 59.3° |
N11 | C10 | H1 | H2 | 117.5° | 120.2° |
N11 | C10 | C09 | H13 | 80.2° | 61.6° |
N11 | C10 | C09 | H14 | 161.0° | 178.4° |
C10 | N11 | C12 | H17 | 83.7° | 179.3° |
C10 | N11 | C12 | H18 | 157.7° | 60.6° |
N11 | C12 | C13 | N08 | 44.3° | 58.4° |
N11 | C12 | C13 | H17 | 120.7° | 120.0° |
N11 | C12 | C13 | H18 | 120.7° | 119.9° |
C12 | N11 | C10 | H1 | 85.7° | 60.6° |
C12 | N11 | C10 | H2 | 155.9° | 179.3° |
N11 | C12 | C13 | H3 | 76.3° | 61.6° |
N11 | C12 | C13 | H4 | 164.9° | 178.3° |
N11 | C12 | H17 | H18 | 117.7° | 120.1° |
N08 | C07 | C06 | H10 | 121.0° | 120.0° |
N08 | C07 | C06 | H11 | 121.0° | 120.0° |
C07 | N08 | C13 | C12 | 172.1° | 176.8° |
N08 | C07 | C06 | C14 | 131.1° | 90.0° |
N08 | C07 | C06 | C05 | 53.6° | 90.0° |
C07 | N08 | C13 | H3 | 51.5° | 63.2° |
C07 | N08 | C13 | H4 | 67.4° | 56.9° |
N08 | C07 | H10 | H11 | 116.9° | 120.0° |
C07 | N08 | C09 | H13 | 51.7° | 63.2° |
C07 | N08 | C09 | H14 | 67.0° | 56.9° |
C06 | C07 | N08 | C13 | 67.1° | 170.0° |
C07 | C06 | C14 | C05 | 175.4° | 180.0° |
C07 | C06 | C14 | C15 | 177.5° | 179.9° |
C07 | C06 | C05 | C04 | 176.5° | 180.0° |
C07 | C06 | C05 | H9 | 3.5° | 0.1° |
C06 | C07 | H10 | H11 | 116.9° | 120.0° |
C07 | C06 | C14 | H19 | 2.5° | 0.0° |
N08 | C13 | C12 | H3 | 120.6° | 120.0° |
N08 | C13 | C12 | H4 | 120.6° | 119.9° |
N08 | C13 | H3 | H4 | 118.3° | 120.0° |
C13 | N08 | C07 | H10 | 53.9° | 69.9° |
C13 | N08 | C07 | H11 | 171.9° | 50.1° |
C13 | N08 | C09 | H13 | 71.1° | 60.6° |
C13 | N08 | C09 | H14 | 170.2° | 179.3° |
N08 | C13 | C12 | H17 | 76.4° | 178.4° |
N08 | C13 | C12 | H18 | 165.0° | 61.5° |
C12 | C13 | H3 | H4 | 118.3° | 120.1° |
C13 | C12 | N11 | H15 | 158.2° | 176.8° |
C13 | C12 | H17 | H18 | 117.8° | 120.1° |
C06 | C14 | C15 | H19 | 180.0° | 179.9° |
C06 | C14 | C15 | F16 | 179.1° | 179.8° |
C06 | C14 | C15 | C03 | 1.6° | 0.1° |
C14 | C06 | C05 | C04 | 1.3° | 0.0° |
C14 | C06 | C05 | H9 | 178.7° | 179.9° |
C14 | C06 | C07 | H10 | 10.1° | 30.0° |
C14 | C06 | C07 | H11 | 107.9° | 150.1° |
C15 | C14 | C06 | C05 | 2.1° | 0.0° |
C14 | C15 | F16 | C03 | 177.5° | 179.7° |
C14 | C15 | C03 | C04 | 0.4° | 0.1° |
C14 | C15 | C03 | O02 | 176.7° | 179.9° |
C06 | C05 | C04 | H9 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.1° | 0.0° |
C06 | C05 | C04 | H8 | 179.9° | 179.9° |
C05 | C06 | C07 | H10 | 174.6° | 150.0° |
C05 | C06 | C07 | H11 | 67.4° | 29.9° |
C05 | C06 | C14 | H19 | 178.0° | 180.0° |
F16 | C15 | C03 | C04 | 177.8° | 179.8° |
F16 | C15 | C03 | O02 | 0.8° | 0.3° |
F16 | C15 | C14 | H19 | 0.9° | 0.3° |
C15 | C03 | C04 | C05 | 0.4° | 0.0° |
C15 | C03 | C04 | O02 | 176.9° | 180.0° |
C15 | C03 | O02 | C01 | 178.3° | 180.0° |
C15 | C03 | C04 | H8 | 179.6° | 180.0° |
C03 | C15 | C14 | H19 | 178.4° | 180.0° |
C05 | C04 | C03 | H8 | 180.0° | 180.0° |
C05 | C04 | C03 | O02 | 177.2° | 180.0° |
C04 | C03 | O02 | C01 | 4.8° | 0.0° |
C03 | C04 | C05 | H9 | 179.9° | 179.9° |
C03 | O02 | C01 | H5 | 180.0° | 60.0° |
C03 | O02 | C01 | H6 | 60.0° | 180.0° |
C03 | O02 | C01 | H7 | 60.0° | 60.0° |
O02 | C03 | C04 | H8 | 2.8° | 0.0° |
O02 | C01 | H5 | H6 | 120.0° | 120.0° |
O02 | C01 | H5 | H7 | 120.0° | 120.0° |
O02 | C01 | H6 | H7 | 120.0° | 119.9° |
H1 | C10 | C09 | H13 | 158.9° | 178.5° |
H1 | C10 | C09 | H14 | 40.2° | 58.5° |
H1 | C10 | N11 | H15 | 35.5° | 63.3° |
H2 | C10 | C09 | H13 | 40.5° | 58.4° |
H2 | C10 | C09 | H14 | 78.2° | 61.6° |
H2 | C10 | N11 | H15 | 82.9° | 56.8° |
H3 | C13 | C12 | H17 | 163.0° | 58.4° |
H3 | C13 | C12 | H18 | 44.4° | 178.5° |
H4 | C13 | C12 | H17 | 44.2° | 61.7° |
H4 | C13 | C12 | H18 | 74.4° | 58.4° |
H5 | C01 | H6 | H7 | 119.9° | 120.0° |
H8 | C04 | C05 | H9 | 0.1° | 0.0° |
H15 | N11 | C12 | H17 | 37.5° | 56.8° |
H15 | N11 | C12 | H18 | 81.1° | 63.3° |