W5V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C28 | N29 | doub | 1.32Å | 1.32Å | Aromatic |
C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
N29 | C03 | sing | 1.32Å | 1.32Å | Aromatic |
C27 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
C01 | O02 | sing | 1.43Å | 1.40Å | |
C03 | O02 | sing | 1.36Å | 1.40Å | |
C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | sing | 1.51Å | 1.53Å | |
C06 | C07 | sing | 1.53Å | 1.53Å | |
C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | N08 | sing | 1.46Å | 1.45Å | |
F26 | C25 | sing | 1.35Å | 1.37Å | |
C25 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
C22 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
N08 | C09 | sing | 1.35Å | 1.46Å | |
C19 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
C19 | C17 | sing | 1.48Å | 1.53Å | |
C20 | F21 | sing | 1.35Å | 1.37Å | |
N18 | C17 | sing | 1.36Å | 1.49Å | |
N18 | C11 | sing | 1.38Å | 1.46Å | |
C17 | N16 | doub | 1.32Å | 1.48Å | |
C09 | C11 | sing | 1.48Å | 1.54Å | |
C09 | O10 | doub | 1.22Å | 1.18Å | |
C11 | C12 | doub | 1.37Å | 1.49Å | |
N16 | C14 | sing | 1.34Å | 1.45Å | |
C12 | C14 | sing | 1.47Å | 1.49Å | |
C12 | O13 | sing | 1.36Å | 1.40Å | |
C14 | O15 | doub | 1.22Å | 1.18Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.09Å | 1.10Å | |
C06 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C22 | H9 | sing | 1.08Å | 1.08Å | |
C23 | H10 | sing | 1.08Å | 1.08Å | |
C24 | H11 | sing | 1.08Å | 1.08Å | |
C27 | H12 | sing | 1.08Å | 1.08Å | |
C28 | H13 | sing | 1.08Å | 1.08Å | |
N08 | H14 | sing | 0.97Å | 1.00Å | |
N18 | H15 | sing | 0.97Å | 1.00Å | |
O13 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N29 | C28 | C27 | 121.8° | 120.9° |
C28 | N29 | C03 | 121.1° | 121.6° |
N29 | C28 | H13 | 119.1° | 119.6° |
C28 | C27 | C05 | 118.5° | 119.3° |
C28 | C27 | H12 | 120.7° | 120.3° |
C27 | C28 | H13 | 119.1° | 119.6° |
N29 | C03 | O02 | 120.6° | 119.7° |
N29 | C03 | C04 | 120.5° | 120.6° |
C27 | C05 | C04 | 118.1° | 118.4° |
C27 | C05 | C06 | 122.1° | 120.8° |
C05 | C27 | H12 | 120.8° | 120.3° |
C01 | O02 | C03 | 114.4° | 117.0° |
O02 | C01 | H1 | 109.5° | 109.5° |
O02 | C01 | H2 | 109.5° | 109.4° |
O02 | C01 | H3 | 109.5° | 109.5° |
O02 | C03 | C04 | 118.9° | 119.7° |
C03 | C04 | C05 | 120.0° | 119.1° |
C03 | C04 | H4 | 120.0° | 120.4° |
C04 | C05 | C06 | 119.8° | 120.7° |
C05 | C04 | H4 | 120.0° | 120.4° |
C05 | C06 | C07 | 109.5° | 109.5° |
C05 | C06 | H5 | 109.4° | 109.4° |
C05 | C06 | H6 | 109.4° | 109.5° |
C06 | C07 | N08 | 112.2° | 109.5° |
C07 | C06 | H5 | 109.5° | 109.5° |
C07 | C06 | H6 | 109.5° | 109.5° |
C06 | C07 | H7 | 108.8° | 109.4° |
C06 | C07 | H8 | 108.8° | 109.4° |
C23 | C24 | C25 | 119.9° | 120.2° |
C24 | C23 | C22 | 120.2° | 120.4° |
C24 | C23 | H10 | 119.9° | 119.8° |
C23 | C24 | H11 | 120.1° | 119.9° |
C24 | C25 | F26 | 120.0° | 120.1° |
C24 | C25 | C19 | 119.9° | 119.8° |
C25 | C24 | H11 | 120.1° | 120.0° |
C23 | C22 | C20 | 120.0° | 120.2° |
C23 | C22 | H9 | 120.0° | 119.9° |
C22 | C23 | H10 | 119.9° | 119.8° |
C07 | N08 | C09 | 124.6° | 120.0° |
N08 | C07 | H7 | 108.8° | 109.5° |
N08 | C07 | H8 | 108.8° | 109.5° |
C07 | N08 | H14 | 117.7° | 120.1° |
F26 | C25 | C19 | 120.1° | 120.1° |
C25 | C19 | C20 | 120.3° | 119.7° |
C25 | C19 | C17 | 120.1° | 120.1° |
C22 | C20 | C19 | 119.8° | 119.8° |
C22 | C20 | F21 | 120.2° | 120.1° |
C20 | C22 | H9 | 120.0° | 119.9° |
N08 | C09 | C11 | 125.5° | 120.0° |
N08 | C09 | O10 | 117.1° | 120.0° |
C09 | N08 | H14 | 117.7° | 119.9° |
C20 | C19 | C17 | 119.6° | 120.2° |
C19 | C20 | F21 | 120.0° | 120.1° |
C19 | C17 | N18 | 121.2° | 118.9° |
C19 | C17 | N16 | 118.6° | 118.9° |
C17 | N18 | C11 | 120.7° | 120.9° |
N18 | C17 | N16 | 120.2° | 122.1° |
C17 | N18 | H15 | 119.7° | 119.6° |
N18 | C11 | C09 | 123.7° | 120.6° |
N18 | C11 | C12 | 118.8° | 118.9° |
C11 | N18 | H15 | 119.6° | 119.5° |
C17 | N16 | C14 | 119.6° | 121.0° |
C11 | C09 | O10 | 117.5° | 120.0° |
C09 | C11 | C12 | 117.5° | 120.5° |
C11 | C12 | C14 | 120.2° | 118.1° |
C11 | C12 | O13 | 120.0° | 121.0° |
N16 | C14 | C12 | 120.5° | 119.0° |
N16 | C14 | O15 | 119.2° | 120.5° |
C14 | C12 | O13 | 119.8° | 121.0° |
C12 | C14 | O15 | 120.3° | 120.5° |
C12 | O13 | H16 | 109.5° | 114.1° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H5 | C06 | H6 | 109.5° | 109.5° |
H7 | C07 | H8 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N29 | C28 | C27 | H13 | 180.0° | 179.4° |
N29 | C28 | C27 | C05 | 0.2° | 0.3° |
C28 | N29 | C03 | O02 | 179.9° | 179.8° |
C28 | N29 | C03 | C04 | 0.2° | 0.6° |
N29 | C28 | C27 | H12 | 179.8° | 179.8° |
C27 | C28 | N29 | C03 | 0.1° | 0.6° |
C28 | C27 | C05 | H12 | 180.0° | 179.9° |
C28 | C27 | C05 | C04 | 0.3° | 0.1° |
C28 | C27 | C05 | C06 | 179.7° | 180.0° |
N29 | C03 | O02 | C01 | 22.1° | 0.4° |
N29 | C03 | O02 | C04 | 179.7° | 179.6° |
N29 | C03 | C04 | C05 | 0.1° | 0.3° |
N29 | C03 | C04 | H4 | 179.9° | 179.7° |
C03 | N29 | C28 | H13 | 179.9° | 180.0° |
C27 | C05 | C04 | C03 | 0.2° | 0.1° |
C27 | C05 | C04 | C06 | 179.4° | 179.9° |
C27 | C05 | C06 | C07 | 157.8° | 89.9° |
C27 | C05 | C04 | H4 | 179.8° | 180.0° |
C27 | C05 | C06 | H5 | 82.2° | 30.0° |
C27 | C05 | C06 | H6 | 37.8° | 150.0° |
C05 | C27 | C28 | H13 | 179.8° | 179.7° |
C01 | O02 | C03 | C04 | 158.2° | 180.0° |
O02 | C01 | H1 | H2 | 120.0° | 119.9° |
O02 | C01 | H1 | H3 | 120.0° | 120.0° |
O02 | C01 | H2 | H3 | 120.0° | 120.0° |
O02 | C03 | C04 | C05 | 179.8° | 179.9° |
C03 | O02 | C01 | H1 | 180.0° | 59.9° |
C03 | O02 | C01 | H2 | 60.0° | 60.1° |
C03 | O02 | C01 | H3 | 60.0° | 179.9° |
O02 | C03 | C04 | H4 | 0.2° | 0.1° |
C03 | C04 | C05 | H4 | 180.0° | 179.9° |
C03 | C04 | C05 | C06 | 179.6° | 180.0° |
C04 | C05 | C06 | C07 | 21.6° | 90.0° |
C04 | C05 | C06 | H5 | 98.4° | 150.0° |
C04 | C05 | C06 | H6 | 141.6° | 30.1° |
C04 | C05 | C27 | H12 | 179.7° | 179.9° |
C05 | C06 | C07 | H5 | 120.0° | 120.0° |
C05 | C06 | C07 | H6 | 120.0° | 120.1° |
C05 | C06 | C07 | N08 | 170.2° | 180.0° |
C06 | C05 | C04 | H4 | 0.4° | 0.1° |
C05 | C06 | H5 | H6 | 119.9° | 120.0° |
C05 | C06 | C07 | H7 | 49.8° | 60.0° |
C05 | C06 | C07 | H8 | 69.4° | 59.9° |
C06 | C05 | C27 | H12 | 0.3° | 0.1° |
C06 | C07 | N08 | H7 | 120.4° | 120.0° |
C06 | C07 | N08 | H8 | 120.4° | 120.0° |
C06 | C07 | N08 | C09 | 122.2° | 180.0° |
C07 | C06 | H5 | H6 | 120.0° | 120.0° |
C06 | C07 | H7 | H8 | 118.8° | 119.9° |
C06 | C07 | N08 | H14 | 57.8° | 0.0° |
C23 | C24 | C25 | H11 | 180.0° | 179.8° |
C24 | C23 | C22 | H10 | 180.0° | 180.0° |
C23 | C24 | C25 | F26 | 180.0° | 180.0° |
C23 | C24 | C25 | C19 | 0.3° | 0.5° |
C24 | C23 | C22 | C20 | 0.1° | 0.1° |
C24 | C23 | C22 | H9 | 180.0° | 180.0° |
C25 | C24 | C23 | C22 | 0.0° | 0.2° |
C24 | C25 | F26 | C19 | 179.8° | 179.5° |
C24 | C25 | C19 | C20 | 0.5° | 0.5° |
C24 | C25 | C19 | C17 | 179.8° | 179.7° |
C25 | C24 | C23 | H10 | 179.9° | 179.7° |
C23 | C22 | C20 | H9 | 180.0° | 180.0° |
C23 | C22 | C20 | C19 | 0.3° | 0.1° |
C23 | C22 | C20 | F21 | 180.0° | 180.0° |
C22 | C23 | C24 | H11 | 180.0° | 180.0° |
C07 | N08 | C09 | H14 | 180.0° | 179.9° |
C07 | N08 | C09 | C11 | 0.3° | 174.9° |
C07 | N08 | C09 | O10 | 179.7° | 5.0° |
N08 | C07 | C06 | H5 | 69.8° | 60.0° |
N08 | C07 | C06 | H6 | 50.3° | 60.0° |
N08 | C07 | H7 | H8 | 118.8° | 120.1° |
F26 | C25 | C19 | C20 | 179.8° | 180.0° |
F26 | C25 | C19 | C17 | 0.5° | 0.2° |
F26 | C25 | C24 | H11 | 0.0° | 0.2° |
C25 | C19 | C20 | C22 | 0.5° | 0.2° |
C25 | C19 | C20 | C17 | 179.3° | 179.8° |
C25 | C19 | C20 | F21 | 179.8° | 179.8° |
C25 | C19 | C17 | N18 | 102.5° | 89.5° |
C25 | C19 | C17 | N16 | 77.8° | 90.2° |
C19 | C25 | C24 | H11 | 179.8° | 179.7° |
C22 | C20 | C19 | F21 | 179.8° | 179.9° |
C22 | C20 | C19 | C17 | 179.8° | 180.0° |
C20 | C22 | C23 | H10 | 179.9° | 179.9° |
N08 | C09 | C11 | N18 | 4.0° | 5.0° |
N08 | C09 | C11 | O10 | 179.9° | 179.9° |
N08 | C09 | C11 | C12 | 176.3° | 174.7° |
C09 | N08 | C07 | H7 | 1.8° | 60.0° |
C09 | N08 | C07 | H8 | 117.4° | 60.0° |
C20 | C19 | C17 | N18 | 78.2° | 90.3° |
C20 | C19 | C17 | N16 | 101.5° | 90.0° |
C19 | C20 | C22 | H9 | 179.7° | 180.0° |
C17 | C19 | C20 | F21 | 0.5° | 0.0° |
C19 | C17 | N18 | N16 | 179.7° | 179.7° |
C19 | C17 | N18 | C11 | 179.8° | 179.7° |
C19 | C17 | N16 | C14 | 179.9° | 179.9° |
C19 | C17 | N18 | H15 | 0.2° | 0.3° |
F21 | C20 | C22 | H9 | 0.0° | 0.0° |
C17 | N18 | C11 | H15 | 180.0° | 179.4° |
C17 | N18 | C11 | C09 | 179.9° | 179.7° |
C17 | N18 | C11 | C12 | 0.2° | 0.6° |
N18 | C17 | N16 | C14 | 0.2° | 0.3° |
C11 | N18 | C17 | N16 | 0.1° | 0.6° |
N18 | C11 | C09 | C12 | 179.7° | 179.7° |
N18 | C11 | C09 | O10 | 176.0° | 175.1° |
N18 | C11 | C12 | C14 | 0.3° | 0.3° |
N18 | C11 | C12 | O13 | 180.0° | 179.7° |
C17 | N16 | C14 | C12 | 0.1° | 0.1° |
C17 | N16 | C14 | O15 | 179.8° | 180.0° |
N16 | C17 | N18 | H15 | 179.9° | 180.0° |
C09 | C11 | C12 | C14 | 180.0° | 179.9° |
C09 | C11 | C12 | O13 | 0.2° | 0.0° |
C11 | C09 | N08 | H14 | 179.7° | 5.2° |
C09 | C11 | N18 | H15 | 0.1° | 0.3° |
O10 | C09 | C11 | C12 | 3.7° | 5.2° |
O10 | C09 | N08 | H14 | 0.3° | 174.9° |
C11 | C12 | C14 | N16 | 0.2° | 0.1° |
C11 | C12 | C14 | O13 | 179.7° | 180.0° |
C11 | C12 | C14 | O15 | 179.9° | 180.0° |
C12 | C11 | N18 | H15 | 179.8° | 180.0° |
C11 | C12 | O13 | H16 | 1.8° | 180.0° |
N16 | C14 | C12 | O15 | 179.9° | 179.9° |
N16 | C14 | C12 | O13 | 179.9° | 180.0° |
C14 | C12 | O13 | H16 | 178.5° | 0.0° |
O13 | C12 | C14 | O15 | 0.2° | 0.1° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H5 | C06 | C07 | H7 | 169.8° | 179.9° |
H5 | C06 | C07 | H8 | 50.6° | 60.0° |
H6 | C06 | C07 | H7 | 70.2° | 60.1° |
H6 | C06 | C07 | H8 | 170.7° | 180.0° |
H7 | C07 | N08 | H14 | 178.2° | 120.0° |
H8 | C07 | N08 | H14 | 62.6° | 119.9° |
H9 | C22 | C23 | H10 | 0.1° | 0.0° |
H10 | C23 | C24 | H11 | 0.1° | 0.0° |
H12 | C27 | C28 | H13 | 0.2° | 0.4° |