3LZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O25 | C24 | doub | 1.22Å | 1.23Å | |
C24 | N7 | sing | 1.35Å | 1.34Å | |
C24 | N26 | sing | 1.35Å | 1.33Å | |
C27 | N26 | sing | 1.46Å | 1.47Å | |
N7 | C4 | sing | 1.40Å | 1.41Å | |
C19 | N20 | doub | 1.32Å | 1.35Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
N20 | C21 | sing | 1.32Å | 1.35Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
C22 | C21 | sing | 1.51Å | 1.52Å | |
C22 | C23 | sing | 1.53Å | 1.54Å | |
C21 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
C17 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
C9 | O8 | sing | 1.36Å | 1.37Å | |
O8 | C3 | sing | 1.36Å | 1.37Å | |
C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
N5 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
C6 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
C1 | S10 | sing | 1.76Å | 1.75Å | |
C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
C11 | S10 | sing | 1.76Å | 1.77Å | |
C11 | N16 | doub | 1.32Å | 1.35Å | Aromatic |
C15 | N16 | sing | 1.32Å | 1.36Å | Aromatic |
C18 | H1 | sing | 1.08Å | 1.08Å | |
C14 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C12 | H4 | sing | 1.08Å | 1.08Å | |
C17 | H5 | sing | 1.08Å | 1.08Å | |
C15 | H6 | sing | 1.08Å | 1.08Å | |
C22 | H7 | sing | 1.09Å | 1.10Å | |
C22 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.08Å | 1.08Å | |
C19 | H10 | sing | 1.08Å | 1.08Å | |
C2 | H11 | sing | 1.08Å | 1.08Å | |
N7 | H12 | sing | 0.97Å | 1.00Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C23 | H15 | sing | 1.09Å | 1.10Å | |
N26 | H16 | sing | 0.97Å | 1.00Å | |
C27 | H17 | sing | 1.09Å | 1.10Å | |
C27 | H18 | sing | 1.09Å | 1.10Å | |
C27 | H19 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O25 | C24 | N7 | 121.9° | 120.0° |
O25 | C24 | N26 | 120.9° | 120.0° |
N7 | C24 | N26 | 117.2° | 120.0° |
C24 | N7 | C4 | 132.8° | 120.0° |
C24 | N7 | H12 | 113.6° | 120.0° |
C24 | N26 | C27 | 122.3° | 120.0° |
C24 | N26 | H16 | 118.8° | 120.0° |
C27 | N26 | H16 | 118.9° | 120.0° |
N26 | C27 | H17 | 109.5° | 109.5° |
N26 | C27 | H18 | 109.4° | 109.5° |
N26 | C27 | H19 | 109.5° | 109.5° |
N7 | C4 | C3 | 115.2° | 119.6° |
N7 | C4 | N5 | 121.2° | 119.6° |
C4 | N7 | H12 | 113.6° | 120.0° |
N20 | C19 | C18 | 122.9° | 120.9° |
C19 | N20 | C21 | 119.2° | 121.8° |
N20 | C19 | H10 | 118.5° | 119.6° |
C19 | C18 | C17 | 118.1° | 119.2° |
C19 | C18 | H1 | 120.9° | 120.4° |
C18 | C19 | H10 | 118.6° | 119.5° |
N20 | C21 | C22 | 116.0° | 119.7° |
N20 | C21 | C9 | 122.1° | 120.7° |
C18 | C17 | C9 | 118.9° | 118.4° |
C17 | C18 | H1 | 121.0° | 120.4° |
C18 | C17 | H5 | 120.5° | 120.8° |
C21 | C22 | C23 | 114.6° | 109.5° |
C22 | C21 | C9 | 121.9° | 119.6° |
C21 | C22 | H7 | 108.2° | 109.4° |
C21 | C22 | H8 | 108.2° | 109.5° |
C23 | C22 | H7 | 108.2° | 109.5° |
C23 | C22 | H8 | 108.2° | 109.5° |
C22 | C23 | H13 | 109.5° | 109.5° |
C22 | C23 | H14 | 109.5° | 109.5° |
C22 | C23 | H15 | 109.5° | 109.5° |
C21 | C9 | C17 | 118.8° | 119.0° |
C21 | C9 | O8 | 119.8° | 120.5° |
C17 | C9 | O8 | 121.3° | 120.5° |
C9 | C17 | H5 | 120.6° | 120.8° |
C9 | O8 | C3 | 124.9° | 118.0° |
O8 | C3 | C4 | 119.7° | 120.5° |
O8 | C3 | C2 | 120.9° | 120.5° |
C3 | C4 | N5 | 123.5° | 120.7° |
C4 | C3 | C2 | 119.3° | 119.0° |
C4 | N5 | C6 | 117.3° | 121.8° |
C3 | C2 | C1 | 117.1° | 118.4° |
C3 | C2 | H11 | 121.4° | 120.8° |
N5 | C6 | C1 | 122.9° | 120.8° |
N5 | C6 | H9 | 118.5° | 119.6° |
C2 | C1 | C6 | 119.8° | 119.2° |
C2 | C1 | S10 | 121.1° | 120.4° |
C1 | C2 | H11 | 121.4° | 120.8° |
C6 | C1 | S10 | 119.1° | 120.4° |
C1 | C6 | H9 | 118.5° | 119.6° |
C1 | S10 | C11 | 101.7° | 103.0° |
C12 | C13 | C14 | 118.6° | 118.5° |
C13 | C12 | C11 | 119.2° | 119.1° |
C12 | C13 | H3 | 120.7° | 120.8° |
C13 | C12 | H4 | 120.4° | 120.5° |
C13 | C14 | C15 | 118.4° | 119.3° |
C13 | C14 | H2 | 120.8° | 120.3° |
C14 | C13 | H3 | 120.7° | 120.8° |
C12 | C11 | S10 | 123.5° | 119.7° |
C12 | C11 | N16 | 122.4° | 120.5° |
C11 | C12 | H4 | 120.4° | 120.4° |
C14 | C15 | N16 | 122.9° | 120.8° |
C15 | C14 | H2 | 120.8° | 120.3° |
C14 | C15 | H6 | 118.6° | 119.5° |
S10 | C11 | N16 | 114.1° | 119.8° |
C11 | N16 | C15 | 118.5° | 121.7° |
N16 | C15 | H6 | 118.6° | 119.6° |
H7 | C22 | H8 | 109.5° | 109.4° |
H13 | C23 | H14 | 109.5° | 109.4° |
H13 | C23 | H15 | 109.5° | 109.5° |
H14 | C23 | H15 | 109.4° | 109.5° |
H17 | C27 | H18 | 109.5° | 109.5° |
H17 | C27 | H19 | 109.5° | 109.5° |
H18 | C27 | H19 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O25 | C24 | N7 | N26 | 178.1° | 180.0° |
O25 | C24 | N26 | C27 | 12.3° | 0.0° |
O25 | C24 | N7 | C4 | 178.3° | 0.0° |
O25 | C24 | N7 | H12 | 1.6° | 180.0° |
O25 | C24 | N26 | H16 | 167.7° | 179.9° |
N7 | C24 | N26 | C27 | 165.8° | 180.0° |
C24 | N7 | C4 | H12 | 180.0° | 180.0° |
C24 | N7 | C4 | C3 | 170.6° | 180.0° |
C24 | N7 | C4 | N5 | 7.4° | 0.0° |
N7 | C24 | N26 | H16 | 14.2° | 0.1° |
C24 | N26 | C27 | H16 | 180.0° | 179.9° |
N26 | C24 | N7 | C4 | 3.6° | 180.0° |
N26 | C24 | N7 | H12 | 176.5° | 0.0° |
C24 | N26 | C27 | H17 | 180.0° | 60.0° |
C24 | N26 | C27 | H18 | 60.0° | 60.1° |
C24 | N26 | C27 | H19 | 60.0° | 180.0° |
N26 | C27 | H17 | H18 | 120.0° | 120.0° |
N26 | C27 | H17 | H19 | 120.0° | 120.0° |
N26 | C27 | H18 | H19 | 120.0° | 120.0° |
N7 | C4 | C3 | O8 | 3.4° | 0.1° |
N7 | C4 | C3 | N5 | 178.0° | 179.9° |
N7 | C4 | C3 | C2 | 178.9° | 179.9° |
N7 | C4 | N5 | C6 | 178.3° | 180.0° |
N20 | C19 | C18 | H10 | 180.0° | 180.0° |
N20 | C19 | C18 | C17 | 0.1° | 0.0° |
C19 | N20 | C21 | C22 | 179.7° | 179.7° |
C19 | N20 | C21 | C9 | 0.3° | 0.8° |
N20 | C19 | C18 | H1 | 179.9° | 179.7° |
C18 | C19 | N20 | C21 | 0.3° | 0.5° |
C19 | C18 | C17 | H1 | 180.0° | 179.7° |
C19 | C18 | C17 | C9 | 0.7° | 0.2° |
C19 | C18 | C17 | H5 | 179.3° | 179.8° |
N20 | C21 | C22 | C9 | 180.0° | 179.5° |
N20 | C21 | C22 | C23 | 67.5° | 89.5° |
N20 | C21 | C9 | C17 | 1.2° | 0.6° |
N20 | C21 | C9 | O8 | 178.5° | 179.5° |
N20 | C21 | C22 | H7 | 171.8° | 30.5° |
N20 | C21 | C22 | H8 | 53.3° | 150.5° |
C21 | N20 | C19 | H10 | 179.7° | 179.5° |
C18 | C17 | C9 | C21 | 1.3° | 0.0° |
C18 | C17 | C9 | H5 | 180.0° | 180.0° |
C18 | C17 | C9 | O8 | 178.6° | 179.9° |
C17 | C18 | C19 | H10 | 179.9° | 180.0° |
C21 | C22 | C23 | H7 | 120.8° | 120.0° |
C21 | C22 | C23 | H8 | 120.8° | 120.0° |
C22 | C21 | C9 | C17 | 178.9° | 180.0° |
C22 | C21 | C9 | O8 | 1.5° | 0.1° |
C21 | C22 | H7 | H8 | 117.7° | 119.9° |
C21 | C22 | C23 | H13 | 180.0° | 180.0° |
C21 | C22 | C23 | H14 | 60.0° | 60.0° |
C21 | C22 | C23 | H15 | 60.0° | 60.0° |
C23 | C22 | C21 | C9 | 112.5° | 90.0° |
C23 | C22 | H7 | H8 | 117.6° | 120.0° |
C22 | C23 | H13 | H14 | 120.0° | 120.0° |
C22 | C23 | H13 | H15 | 120.0° | 120.0° |
C22 | C23 | H14 | H15 | 120.0° | 120.0° |
C21 | C9 | C17 | O8 | 177.3° | 179.9° |
C21 | C9 | O8 | C3 | 130.2° | 175.7° |
C21 | C9 | C17 | H5 | 178.7° | 180.0° |
C9 | C21 | C22 | H7 | 8.3° | 150.0° |
C9 | C21 | C22 | H8 | 126.8° | 30.0° |
C17 | C9 | O8 | C3 | 52.5° | 4.2° |
C9 | C17 | C18 | H1 | 179.3° | 179.9° |
C9 | O8 | C3 | C4 | 147.7° | 86.1° |
C9 | O8 | C3 | C2 | 34.6° | 94.0° |
O8 | C9 | C17 | H5 | 1.4° | 0.1° |
O8 | C3 | C4 | C2 | 177.7° | 179.9° |
O8 | C3 | C4 | N5 | 178.6° | 180.0° |
O8 | C3 | C2 | C1 | 178.7° | 180.0° |
O8 | C3 | C2 | H11 | 1.3° | 0.1° |
C3 | C4 | N5 | C6 | 0.4° | 0.1° |
C4 | C3 | C2 | C1 | 1.0° | 0.1° |
C4 | C3 | C2 | H11 | 179.0° | 180.0° |
C3 | C4 | N7 | H12 | 9.3° | 0.0° |
N5 | C4 | C3 | C2 | 0.9° | 0.1° |
C4 | N5 | C6 | C1 | 0.1° | 0.1° |
C4 | N5 | C6 | H9 | 179.9° | 180.0° |
N5 | C4 | N7 | H12 | 172.6° | 180.0° |
C3 | C2 | C1 | H11 | 180.0° | 179.9° |
C3 | C2 | C1 | C6 | 0.8° | 0.1° |
C3 | C2 | C1 | S10 | 179.7° | 179.9° |
N5 | C6 | C1 | C2 | 0.3° | 0.1° |
N5 | C6 | C1 | H9 | 180.0° | 179.9° |
N5 | C6 | C1 | S10 | 179.9° | 179.9° |
C2 | C1 | C6 | S10 | 179.5° | 180.0° |
C2 | C1 | S10 | C11 | 55.5° | 85.8° |
C2 | C1 | C6 | H9 | 179.7° | 180.0° |
C6 | C1 | S10 | C11 | 125.0° | 94.2° |
C6 | C1 | C2 | H11 | 179.3° | 180.0° |
C1 | S10 | C11 | C12 | 18.3° | 173.9° |
C1 | S10 | C11 | N16 | 162.8° | 6.4° |
S10 | C1 | C6 | H9 | 0.2° | 0.0° |
S10 | C1 | C2 | H11 | 0.3° | 0.0° |
C12 | C13 | C14 | H3 | 180.0° | 179.9° |
C13 | C12 | C11 | H4 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 0.1° | 0.1° |
C13 | C12 | C11 | S10 | 179.7° | 180.0° |
C13 | C12 | C11 | N16 | 1.5° | 0.2° |
C12 | C13 | C14 | H2 | 179.8° | 179.7° |
C14 | C13 | C12 | C11 | 0.9° | 0.0° |
C13 | C14 | C15 | H2 | 180.0° | 179.7° |
C13 | C14 | C15 | N16 | 0.1° | 0.2° |
C14 | C13 | C12 | H4 | 179.1° | 180.0° |
C13 | C14 | C15 | H6 | 179.9° | 179.7° |
C12 | C11 | S10 | N16 | 178.8° | 179.8° |
C12 | C11 | N16 | C15 | 1.2° | 0.5° |
C11 | C12 | C13 | H3 | 179.1° | 180.0° |
C14 | C15 | N16 | C11 | 0.4° | 0.5° |
C14 | C15 | N16 | H6 | 180.0° | 179.9° |
C15 | C14 | C13 | H3 | 179.8° | 180.0° |
S10 | C11 | N16 | C15 | 179.9° | 179.7° |
S10 | C11 | C12 | H4 | 0.3° | 0.1° |
N16 | C11 | C12 | H4 | 178.5° | 179.7° |
C11 | N16 | C15 | H6 | 179.6° | 179.4° |
N16 | C15 | C14 | H2 | 179.9° | 180.0° |
H1 | C18 | C17 | H5 | 0.7° | 0.1° |
H1 | C18 | C19 | H10 | 0.1° | 0.3° |
H2 | C14 | C13 | H3 | 0.2° | 0.3° |
H2 | C14 | C15 | H6 | 0.1° | 0.1° |
H3 | C13 | C12 | H4 | 0.9° | 0.1° |
H7 | C22 | C23 | H13 | 59.3° | 60.0° |
H7 | C22 | C23 | H14 | 179.3° | 180.0° |
H7 | C22 | C23 | H15 | 60.8° | 60.0° |
H8 | C22 | C23 | H13 | 59.2° | 60.0° |
H8 | C22 | C23 | H14 | 60.8° | 60.0° |
H8 | C22 | C23 | H15 | 179.2° | 180.0° |
H13 | C23 | H14 | H15 | 120.0° | 120.0° |
H16 | N26 | C27 | H17 | 0.0° | 120.0° |
H16 | N26 | C27 | H18 | 120.0° | 120.0° |
H16 | N26 | C27 | H19 | 120.0° | 0.1° |
H17 | C27 | H18 | H19 | 120.0° | 120.0° |