P4Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C30 | C29 | sing | 0.00Å | 1.48Å | |
N33 | C31 | sing | 0.00Å | 1.32Å | |
C29 | C28 | sing | 0.00Å | 1.53Å | |
C31 | O32 | doub | 0.00Å | 1.17Å | |
C31 | C28 | sing | 0.00Å | 1.48Å | |
C28 | N27 | sing | 0.00Å | 1.51Å | |
N27 | C23 | sing | 0.00Å | 1.40Å | |
N26 | C25 | trip | 0.00Å | 1.13Å | |
C23 | C24 | doub | 0.00Å | 1.44Å | Aromatic |
C23 | C22 | sing | 0.00Å | 1.43Å | Aromatic |
C25 | C24 | sing | 0.00Å | 1.44Å | |
C1 | C6 | doub | 0.00Å | 1.37Å | Aromatic |
C1 | C2 | sing | 0.00Å | 1.43Å | Aromatic |
C21 | C22 | doub | 0.00Å | 1.41Å | Aromatic |
C21 | C20 | sing | 0.00Å | 1.35Å | Aromatic |
C24 | C15 | sing | 0.00Å | 1.42Å | Aromatic |
C6 | C5 | sing | 0.00Å | 1.42Å | Aromatic |
C22 | C17 | sing | 0.00Å | 1.43Å | Aromatic |
C20 | N19 | doub | 0.00Å | 1.33Å | Aromatic |
C15 | C2 | sing | 0.00Å | 1.48Å | |
C15 | N16 | doub | 0.00Å | 1.33Å | Aromatic |
C17 | N16 | sing | 0.00Å | 1.36Å | Aromatic |
C17 | C18 | doub | 0.00Å | 1.40Å | Aromatic |
C2 | C3 | doub | 0.00Å | 1.43Å | Aromatic |
C12 | C11 | doub | 0.00Å | 1.37Å | Aromatic |
C12 | C7 | sing | 0.00Å | 1.36Å | Aromatic |
N19 | C18 | sing | 0.00Å | 1.32Å | Aromatic |
C11 | C10 | sing | 0.00Å | 1.38Å | Aromatic |
C5 | C7 | sing | 0.00Å | 1.48Å | |
C5 | C4 | doub | 0.00Å | 1.39Å | Aromatic |
C7 | C8 | doub | 0.00Å | 1.38Å | Aromatic |
C10 | C9 | doub | 0.00Å | 1.35Å | Aromatic |
C3 | C4 | sing | 0.00Å | 1.38Å | Aromatic |
C8 | C9 | sing | 0.00Å | 1.35Å | Aromatic |
C8 | F14 | sing | 0.00Å | 1.35Å | |
C9 | CL1 | sing | 0.00Å | 1.79Å | |
C4 | H1 | sing | 0.00Å | 1.08Å | |
C6 | H2 | sing | 0.00Å | 1.08Å | |
C10 | H3 | sing | 0.00Å | 1.08Å | |
C20 | H4 | sing | 0.00Å | 1.08Å | |
C21 | H5 | sing | 0.00Å | 1.08Å | |
C28 | H6 | sing | 0.00Å | 1.10Å | |
C1 | H7 | sing | 0.00Å | 1.08Å | |
C3 | H8 | sing | 0.00Å | 1.08Å | |
C11 | H9 | sing | 0.00Å | 1.08Å | |
C12 | H10 | sing | 0.00Å | 1.08Å | |
C18 | H11 | sing | 0.00Å | 1.08Å | |
N27 | H12 | sing | 0.00Å | 1.00Å | |
C29 | H13 | sing | 0.00Å | 1.10Å | |
C29 | H14 | sing | 0.00Å | 1.10Å | |
C30 | H15 | sing | 0.00Å | 1.10Å | |
C30 | H16 | sing | 0.00Å | 1.10Å | |
C30 | H17 | sing | 0.00Å | 1.10Å | |
N33 | H18 | sing | 0.00Å | 1.00Å | |
N33 | H19 | sing | 0.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C30 | C29 | C28 | 119.8° | 90.0° |
C30 | C29 | H13 | 106.8° | 90.0° |
C30 | C29 | H14 | 106.8° | 90.0° |
C29 | C30 | H15 | 109.5° | 90.0° |
C29 | C30 | H16 | 109.5° | 90.0° |
C29 | C30 | H17 | 109.5° | 90.0° |
N33 | C31 | O32 | 118.5° | 90.0° |
N33 | C31 | C28 | 121.4° | 90.0° |
C31 | N33 | H18 | 120.0° | 90.0° |
C31 | N33 | H19 | 120.0° | 90.0° |
C29 | C28 | C31 | 107.4° | 90.0° |
C29 | C28 | N27 | 111.9° | 90.0° |
C29 | C28 | H6 | 108.7° | 90.0° |
C28 | C29 | H13 | 106.8° | 90.0° |
C28 | C29 | H14 | 106.8° | 90.0° |
O32 | C31 | C28 | 120.1° | 90.0° |
C31 | C28 | N27 | 110.3° | 90.0° |
C31 | C28 | H6 | 109.4° | 90.0° |
C28 | N27 | C23 | 121.7° | 90.0° |
N27 | C28 | H6 | 109.0° | 90.0° |
C28 | N27 | H12 | 106.3° | 90.0° |
N27 | C23 | C24 | 125.5° | 90.0° |
N27 | C23 | C22 | 116.8° | 90.0° |
C23 | N27 | H12 | 106.4° | 90.0° |
N26 | C25 | C24 | 175.3° | 90.0° |
C24 | C23 | C22 | 117.7° | 90.0° |
C23 | C24 | C25 | 120.9° | 90.0° |
C23 | C24 | C15 | 118.4° | 90.0° |
C23 | C22 | C21 | 121.0° | 90.0° |
C23 | C22 | C17 | 119.0° | 90.0° |
C25 | C24 | C15 | 120.4° | 90.0° |
C6 | C1 | C2 | 117.6° | 90.0° |
C1 | C6 | C5 | 121.6° | 90.0° |
C1 | C6 | H2 | 119.2° | 90.0° |
C6 | C1 | H7 | 121.2° | 90.0° |
C1 | C2 | C15 | 118.0° | 90.0° |
C1 | C2 | C3 | 120.9° | 90.0° |
C2 | C1 | H7 | 121.2° | 90.0° |
C22 | C21 | C20 | 116.5° | 90.0° |
C21 | C22 | C17 | 120.0° | 90.0° |
C22 | C21 | H5 | 121.7° | 90.0° |
C21 | C20 | N19 | 123.8° | 90.0° |
C21 | C20 | H4 | 118.1° | 90.0° |
C20 | C21 | H5 | 121.8° | 90.0° |
C24 | C15 | C2 | 118.1° | 90.0° |
C24 | C15 | N16 | 122.9° | 90.0° |
C6 | C5 | C7 | 121.0° | 90.0° |
C6 | C5 | C4 | 121.0° | 90.0° |
C5 | C6 | H2 | 119.2° | 90.0° |
C22 | C17 | N16 | 121.4° | 90.0° |
C22 | C17 | C18 | 117.2° | 90.0° |
C20 | N19 | C18 | 121.6° | 90.0° |
N19 | C20 | H4 | 118.1° | 90.0° |
C2 | C15 | N16 | 119.0° | 90.0° |
C15 | C2 | C3 | 121.0° | 90.0° |
C15 | N16 | C17 | 120.5° | 90.0° |
N16 | C17 | C18 | 121.4° | 90.0° |
C17 | C18 | N19 | 120.3° | 90.0° |
C17 | C18 | H11 | 119.8° | 90.0° |
C2 | C3 | C4 | 119.8° | 90.0° |
C2 | C3 | H8 | 120.1° | 90.0° |
C11 | C12 | C7 | 117.6° | 90.0° |
C12 | C11 | C10 | 122.5° | 90.0° |
C12 | C11 | H9 | 118.8° | 90.0° |
C11 | C12 | H10 | 121.2° | 90.0° |
C12 | C7 | C5 | 119.3° | 90.0° |
C12 | C7 | C8 | 119.4° | 90.0° |
C7 | C12 | H10 | 121.2° | 90.0° |
N19 | C18 | H11 | 119.8° | 90.0° |
C11 | C10 | C9 | 119.1° | 90.0° |
C11 | C10 | H3 | 120.4° | 90.0° |
C10 | C11 | H9 | 118.7° | 90.0° |
C7 | C5 | C4 | 118.0° | 90.0° |
C5 | C7 | C8 | 121.3° | 90.0° |
C5 | C4 | C3 | 119.0° | 90.0° |
C5 | C4 | H1 | 120.5° | 90.0° |
C7 | C8 | C9 | 122.8° | 90.0° |
C7 | C8 | F14 | 122.2° | 90.0° |
C10 | C9 | C8 | 118.6° | 90.0° |
C10 | C9 | CL1 | 122.0° | 90.0° |
C9 | C10 | H3 | 120.4° | 90.0° |
C3 | C4 | H1 | 120.5° | 90.0° |
C4 | C3 | H8 | 120.1° | 90.0° |
C9 | C8 | F14 | 115.1° | 90.0° |
C8 | C9 | CL1 | 119.3° | 90.0° |
H13 | C29 | H14 | 109.4° | 90.0° |
H15 | C30 | H16 | 109.5° | 90.0° |
H15 | C30 | H17 | 109.5° | 90.0° |
H16 | C30 | H17 | 109.4° | 90.0° |
H18 | N33 | H19 | 120.0° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C30 | C29 | C28 | H13 | 121.5° | 90.0° |
C30 | C29 | C28 | H14 | 121.5° | 90.0° |
C30 | C29 | C28 | C31 | 8.2° | 90.0° |
C30 | C29 | C28 | N27 | 129.4° | 90.0° |
C30 | C29 | C28 | H6 | 110.1° | 90.0° |
C30 | C29 | H13 | H14 | 115.3° | 90.0° |
C29 | C30 | H15 | H16 | 120.0° | 90.0° |
C29 | C30 | H15 | H17 | 120.0° | 90.0° |
C29 | C30 | H16 | H17 | 120.0° | 90.0° |
N33 | C31 | C28 | C29 | 85.4° | 90.0° |
N33 | C31 | O32 | C28 | 177.6° | 90.0° |
N33 | C31 | C28 | N27 | 152.4° | 90.0° |
N33 | C31 | C28 | H6 | 32.5° | 90.0° |
C31 | N33 | H18 | H19 | 180.0° | 90.0° |
C29 | C28 | C31 | O32 | 97.1° | 90.0° |
C29 | C28 | C31 | N27 | 122.2° | 90.0° |
C29 | C28 | C31 | H6 | 117.9° | 90.0° |
C29 | C28 | N27 | H6 | 120.3° | 90.0° |
C29 | C28 | N27 | C23 | 41.6° | 90.0° |
C29 | C28 | N27 | H12 | 80.1° | 90.0° |
C28 | C29 | H13 | H14 | 115.3° | 90.0° |
C28 | C29 | C30 | H15 | 180.0° | 90.0° |
C28 | C29 | C30 | H16 | 60.0° | 90.0° |
C28 | C29 | C30 | H17 | 60.0° | 90.0° |
O32 | C31 | C28 | N27 | 25.1° | 90.0° |
O32 | C31 | C28 | H6 | 145.1° | 90.0° |
O32 | C31 | N33 | H18 | 0.0° | 90.0° |
O32 | C31 | N33 | H19 | 180.0° | 90.0° |
C31 | C28 | N27 | H6 | 120.2° | 90.0° |
C31 | C28 | N27 | C23 | 161.2° | 90.0° |
C31 | C28 | N27 | H12 | 39.5° | 90.0° |
C31 | C28 | C29 | H13 | 129.6° | 90.0° |
C31 | C28 | C29 | H14 | 113.3° | 90.0° |
C28 | C31 | N33 | H18 | 177.6° | 90.0° |
C28 | C31 | N33 | H19 | 2.4° | 90.0° |
C28 | N27 | C23 | H12 | 121.7° | 90.0° |
C28 | N27 | C23 | C24 | 38.1° | 90.0° |
C28 | N27 | C23 | C22 | 144.0° | 90.0° |
N27 | C28 | C29 | H13 | 109.1° | 90.0° |
N27 | C28 | C29 | H14 | 7.9° | 90.0° |
N27 | C23 | C24 | C22 | 177.9° | 90.0° |
N27 | C23 | C24 | C25 | 7.5° | 90.0° |
N27 | C23 | C22 | C21 | 1.8° | 90.0° |
N27 | C23 | C24 | C15 | 178.9° | 90.0° |
N27 | C23 | C22 | C17 | 178.1° | 90.0° |
C23 | N27 | C28 | H6 | 78.6° | 90.0° |
N26 | C25 | C24 | C23 | 11.0° | 90.0° |
N26 | C25 | C24 | C15 | 175.5° | 90.0° |
C23 | C24 | C25 | C15 | 173.5° | 90.0° |
C24 | C23 | C22 | C21 | 176.3° | 90.0° |
C24 | C23 | C22 | C17 | 3.8° | 90.0° |
C23 | C24 | C15 | C2 | 179.3° | 90.0° |
C23 | C24 | C15 | N16 | 0.4° | 90.0° |
C24 | C23 | N27 | H12 | 159.8° | 90.0° |
C22 | C23 | C24 | C25 | 170.5° | 90.0° |
C23 | C22 | C21 | C17 | 179.9° | 90.0° |
C23 | C22 | C21 | C20 | 176.1° | 90.0° |
C22 | C23 | C24 | C15 | 3.1° | 90.0° |
C23 | C22 | C17 | N16 | 1.1° | 90.0° |
C23 | C22 | C17 | C18 | 178.1° | 90.0° |
C23 | C22 | C21 | H5 | 3.9° | 90.0° |
C22 | C23 | N27 | H12 | 22.3° | 90.0° |
C25 | C24 | C15 | C2 | 7.1° | 90.0° |
C25 | C24 | C15 | N16 | 174.0° | 90.0° |
C6 | C1 | C2 | H7 | 180.0° | 90.0° |
C1 | C6 | C5 | H2 | 180.0° | 90.0° |
C6 | C1 | C2 | C15 | 179.4° | 90.0° |
C6 | C1 | C2 | C3 | 3.1° | 90.0° |
C1 | C6 | C5 | C7 | 179.2° | 90.0° |
C1 | C6 | C5 | C4 | 1.4° | 90.0° |
C1 | C2 | C15 | C24 | 54.6° | 90.0° |
C2 | C1 | C6 | C5 | 2.4° | 90.0° |
C1 | C2 | C15 | C3 | 176.3° | 90.0° |
C1 | C2 | C15 | N16 | 124.3° | 90.0° |
C1 | C2 | C3 | C4 | 2.8° | 90.0° |
C2 | C1 | C6 | H2 | 177.7° | 90.0° |
C1 | C2 | C3 | H8 | 177.2° | 90.0° |
C22 | C21 | C20 | H5 | 180.0° | 90.0° |
C22 | C21 | C20 | N19 | 5.2° | 90.0° |
C21 | C22 | C17 | N16 | 179.0° | 90.0° |
C21 | C22 | C17 | C18 | 1.8° | 90.0° |
C22 | C21 | C20 | H4 | 174.9° | 90.0° |
C20 | C21 | C22 | C17 | 4.0° | 90.0° |
C21 | C20 | N19 | H4 | 180.0° | 90.0° |
C21 | C20 | N19 | C18 | 0.1° | 90.0° |
C24 | C15 | C2 | N16 | 179.0° | 90.0° |
C24 | C15 | N16 | C17 | 3.2° | 90.0° |
C24 | C15 | C2 | C3 | 129.1° | 90.0° |
C6 | C5 | C7 | C12 | 39.0° | 90.0° |
C6 | C5 | C7 | C4 | 179.5° | 90.0° |
C6 | C5 | C7 | C8 | 140.2° | 90.0° |
C6 | C5 | C4 | C3 | 1.0° | 90.0° |
C6 | C5 | C4 | H1 | 179.0° | 90.0° |
C5 | C6 | C1 | H7 | 177.6° | 90.0° |
C22 | C17 | N16 | C15 | 2.5° | 90.0° |
C22 | C17 | N16 | C18 | 179.1° | 90.0° |
C22 | C17 | C18 | N19 | 7.1° | 90.0° |
C17 | C22 | C21 | H5 | 176.0° | 90.0° |
C22 | C17 | C18 | H11 | 172.9° | 90.0° |
C20 | N19 | C18 | C17 | 6.5° | 90.0° |
N19 | C20 | C21 | H5 | 174.9° | 90.0° |
C20 | N19 | C18 | H11 | 173.5° | 90.0° |
C2 | C15 | N16 | C17 | 177.8° | 90.0° |
C15 | C2 | C3 | C4 | 179.0° | 90.0° |
C15 | C2 | C1 | H7 | 0.6° | 90.0° |
C15 | C2 | C3 | H8 | 1.0° | 90.0° |
C15 | N16 | C17 | C18 | 178.4° | 90.0° |
N16 | C15 | C2 | C3 | 52.0° | 90.0° |
N16 | C17 | C18 | N19 | 173.7° | 90.0° |
N16 | C17 | C18 | H11 | 6.3° | 90.0° |
C17 | C18 | N19 | H11 | 180.0° | 90.0° |
C2 | C3 | C4 | C5 | 1.7° | 90.0° |
C2 | C3 | C4 | H8 | 180.0° | 90.0° |
C2 | C3 | C4 | H1 | 178.2° | 90.0° |
C3 | C2 | C1 | H7 | 176.9° | 90.0° |
C11 | C12 | C7 | H10 | 180.0° | 90.0° |
C12 | C11 | C10 | H9 | 180.0° | 90.0° |
C11 | C12 | C7 | C5 | 179.7° | 90.0° |
C11 | C12 | C7 | C8 | 0.4° | 90.0° |
C12 | C11 | C10 | C9 | 3.2° | 90.0° |
C12 | C11 | C10 | H3 | 176.8° | 90.0° |
C7 | C12 | C11 | C10 | 1.6° | 90.0° |
C12 | C7 | C5 | C8 | 179.3° | 90.0° |
C12 | C7 | C5 | C4 | 140.4° | 90.0° |
C12 | C7 | C8 | C9 | 0.7° | 90.0° |
C12 | C7 | C8 | F14 | 178.9° | 90.0° |
C7 | C12 | C11 | H9 | 178.4° | 90.0° |
C18 | N19 | C20 | H4 | 179.9° | 90.0° |
C11 | C10 | C9 | H3 | 180.0° | 90.0° |
C11 | C10 | C9 | C8 | 3.4° | 90.0° |
C11 | C10 | C9 | CL1 | 179.9° | 90.0° |
C10 | C11 | C12 | H10 | 178.4° | 90.0° |
C7 | C5 | C4 | C3 | 179.5° | 90.0° |
C5 | C7 | C8 | C9 | 180.0° | 90.0° |
C5 | C7 | C8 | F14 | 0.4° | 90.0° |
C7 | C5 | C4 | H1 | 0.5° | 90.0° |
C7 | C5 | C6 | H2 | 0.8° | 90.0° |
C5 | C7 | C12 | H10 | 0.4° | 90.0° |
C4 | C5 | C7 | C8 | 40.3° | 90.0° |
C5 | C4 | C3 | H1 | 180.0° | 90.0° |
C4 | C5 | C6 | H2 | 178.6° | 90.0° |
C5 | C4 | C3 | H8 | 178.3° | 90.0° |
C7 | C8 | C9 | C10 | 2.3° | 90.0° |
C7 | C8 | C9 | F14 | 179.7° | 90.0° |
C7 | C8 | C9 | CL1 | 178.8° | 90.0° |
C8 | C7 | C12 | H10 | 179.7° | 90.0° |
C10 | C9 | C8 | CL1 | 176.5° | 90.0° |
C10 | C9 | C8 | F14 | 177.4° | 90.0° |
C9 | C10 | C11 | H9 | 176.8° | 90.0° |
C8 | C9 | C10 | H3 | 176.6° | 90.0° |
F14 | C8 | C9 | CL1 | 0.8° | 90.0° |
CL1 | C9 | C10 | H3 | 0.2° | 90.0° |
H1 | C4 | C3 | H8 | 1.8° | 90.0° |
H2 | C6 | C1 | H7 | 2.3° | 90.0° |
H3 | C10 | C11 | H9 | 3.2° | 90.0° |
H4 | C20 | C21 | H5 | 5.1° | 90.0° |
H6 | C28 | N27 | H12 | 159.6° | 90.0° |
H6 | C28 | C29 | H13 | 11.3° | 90.0° |
H6 | C28 | C29 | H14 | 128.4° | 90.0° |
H9 | C11 | C12 | H10 | 1.6° | 90.0° |
H13 | C29 | C30 | H15 | 58.5° | 90.0° |
H13 | C29 | C30 | H16 | 61.5° | 90.0° |
H13 | C29 | C30 | H17 | 178.6° | 90.0° |
H14 | C29 | C30 | H15 | 58.5° | 90.0° |
H14 | C29 | C30 | H16 | 178.6° | 90.0° |
H14 | C29 | C30 | H17 | 61.5° | 90.0° |
H15 | C30 | H16 | H17 | 120.0° | 90.0° |