M0Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N5 | C5 | sing | 1.35Å | 1.37Å | |
O2 | C5 | doub | 1.22Å | 1.24Å | |
C5 | C1 | sing | 1.48Å | 1.47Å | |
C1 | N2 | doub | 1.32Å | 1.37Å | Aromatic |
C1 | C2 | sing | 1.42Å | 1.43Å | Aromatic |
N4 | C4 | sing | 1.35Å | 1.39Å | |
N3 | C2 | sing | 1.40Å | 1.39Å | |
N3 | C4 | sing | 1.35Å | 1.41Å | |
N2 | N1 | sing | 1.29Å | 1.35Å | Aromatic |
C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
C4 | O1 | doub | 1.22Å | 1.24Å | |
C16 | O3 | sing | 1.43Å | 1.41Å | |
N1 | C3 | sing | 1.36Å | 1.41Å | Aromatic |
N1 | C6 | sing | 1.40Å | 1.44Å | |
O3 | C14 | sing | 1.36Å | 1.36Å | |
C15 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
C15 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
C14 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
C6 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | C11 | sing | 1.42Å | 1.41Å | Aromatic |
C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
C13 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
C11 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
C11 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
C8 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
C3 | H1 | sing | 1.08Å | 1.08Å | |
N3 | H2 | sing | 0.97Å | 1.00Å | |
N4 | H4 | sing | 0.97Å | 1.00Å | |
N4 | H3 | sing | 0.97Å | 1.00Å | |
N5 | H5 | sing | 0.97Å | 1.00Å | |
N5 | H6 | sing | 0.97Å | 1.00Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C15 | H12 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.09Å | 1.10Å | |
C16 | H13 | sing | 1.09Å | 1.10Å | |
C16 | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N5 | C5 | O2 | 120.2° | 120.0° |
N5 | C5 | C1 | 118.1° | 120.0° |
C5 | N5 | H5 | 120.0° | 120.0° |
C5 | N5 | H6 | 120.0° | 120.0° |
O2 | C5 | C1 | 121.7° | 120.0° |
C5 | C1 | N2 | 123.0° | 126.5° |
C5 | C1 | C2 | 126.9° | 126.4° |
N2 | C1 | C2 | 110.1° | 107.1° |
C1 | N2 | N1 | 105.7° | 110.2° |
C1 | C2 | N3 | 124.8° | 127.3° |
C1 | C2 | C3 | 106.1° | 105.4° |
N4 | C4 | N3 | 116.5° | 120.0° |
N4 | C4 | O1 | 120.6° | 120.0° |
C4 | N4 | H4 | 120.0° | 120.0° |
C4 | N4 | H3 | 120.0° | 120.0° |
C2 | N3 | C4 | 120.9° | 120.0° |
N3 | C2 | C3 | 129.1° | 127.3° |
C2 | N3 | H2 | 119.5° | 120.0° |
N3 | C4 | O1 | 122.9° | 120.0° |
C4 | N3 | H2 | 119.6° | 120.0° |
N2 | N1 | C3 | 112.7° | 110.1° |
N2 | N1 | C6 | 121.8° | 124.9° |
C2 | C3 | N1 | 105.4° | 107.1° |
C2 | C3 | H1 | 127.3° | 126.5° |
C16 | O3 | C14 | 117.7° | 117.0° |
O3 | C16 | H14 | 109.5° | 109.5° |
O3 | C16 | H13 | 109.5° | 109.4° |
O3 | C16 | H15 | 109.4° | 109.4° |
C3 | N1 | C6 | 125.3° | 124.9° |
N1 | C3 | H1 | 127.3° | 126.5° |
N1 | C6 | C10 | 121.2° | 120.3° |
N1 | C6 | C7 | 117.3° | 120.3° |
O3 | C14 | C15 | 125.6° | 119.6° |
O3 | C14 | C13 | 112.3° | 119.5° |
C14 | C15 | C10 | 119.4° | 119.6° |
C15 | C14 | C13 | 122.0° | 120.9° |
C14 | C15 | H12 | 120.3° | 120.2° |
C15 | C10 | C6 | 123.6° | 121.2° |
C15 | C10 | C11 | 119.0° | 119.5° |
C10 | C15 | H12 | 120.3° | 120.2° |
C14 | C13 | C12 | 118.6° | 120.9° |
C14 | C13 | H11 | 120.7° | 119.6° |
C10 | C6 | C7 | 121.5° | 119.4° |
C6 | C10 | C11 | 117.3° | 119.3° |
C6 | C7 | C8 | 119.7° | 120.7° |
C6 | C7 | H7 | 120.1° | 119.6° |
C10 | C11 | C12 | 119.9° | 119.4° |
C10 | C11 | C9 | 120.6° | 119.5° |
C7 | C8 | C9 | 120.5° | 121.1° |
C8 | C7 | H7 | 120.2° | 119.7° |
C7 | C8 | H8 | 119.7° | 119.5° |
C13 | C12 | C11 | 120.9° | 119.8° |
C13 | C12 | H10 | 119.5° | 120.1° |
C12 | C13 | H11 | 120.7° | 119.5° |
C12 | C11 | C9 | 119.5° | 121.1° |
C11 | C12 | H10 | 119.5° | 120.1° |
C11 | C9 | C8 | 120.2° | 119.9° |
C11 | C9 | H9 | 119.9° | 120.1° |
C9 | C8 | H8 | 119.8° | 119.4° |
C8 | C9 | H9 | 119.9° | 120.0° |
H4 | N4 | H3 | 120.0° | 120.0° |
H5 | N5 | H6 | 120.0° | 120.0° |
H14 | C16 | H13 | 109.5° | 109.5° |
H14 | C16 | H15 | 109.5° | 109.5° |
H13 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N5 | C5 | O2 | C1 | 179.4° | 180.0° |
N5 | C5 | C1 | N2 | 8.3° | 0.1° |
N5 | C5 | C1 | C2 | 170.9° | 180.0° |
C5 | N5 | H5 | H6 | 180.0° | 180.0° |
O2 | C5 | C1 | N2 | 172.3° | 179.9° |
O2 | C5 | C1 | C2 | 8.4° | 0.0° |
O2 | C5 | N5 | H5 | 0.0° | 179.9° |
O2 | C5 | N5 | H6 | 180.0° | 0.0° |
C5 | C1 | N2 | C2 | 179.4° | 179.9° |
C5 | C1 | C2 | N3 | 0.8° | 0.0° |
C5 | C1 | N2 | N1 | 179.5° | 180.0° |
C5 | C1 | C2 | C3 | 179.7° | 180.0° |
C1 | C5 | N5 | H5 | 179.4° | 0.1° |
C1 | C5 | N5 | H6 | 0.6° | 180.0° |
N2 | C1 | C2 | N3 | 178.5° | 180.0° |
N2 | C1 | C2 | C3 | 1.0° | 0.0° |
C1 | N2 | N1 | C3 | 0.9° | 0.0° |
C1 | N2 | N1 | C6 | 175.4° | 179.7° |
C1 | C2 | N3 | C3 | 179.4° | 180.0° |
C1 | C2 | N3 | C4 | 155.1° | 180.0° |
C2 | C1 | N2 | N1 | 1.2° | 0.0° |
C1 | C2 | C3 | N1 | 0.4° | 0.1° |
C1 | C2 | C3 | H1 | 179.6° | 179.8° |
C1 | C2 | N3 | H2 | 24.9° | 0.0° |
N4 | C4 | N3 | C2 | 168.7° | 180.0° |
N4 | C4 | N3 | O1 | 178.8° | 180.0° |
N4 | C4 | N3 | H2 | 11.3° | 0.0° |
C4 | N4 | H4 | H3 | 180.0° | 179.9° |
C2 | N3 | C4 | H2 | 180.0° | 180.0° |
C2 | N3 | C4 | O1 | 12.5° | 0.0° |
N3 | C2 | C3 | N1 | 179.1° | 180.0° |
N3 | C2 | C3 | H1 | 0.9° | 0.2° |
C4 | N3 | C2 | C3 | 24.2° | 0.0° |
N3 | C4 | N4 | H4 | 178.8° | 0.0° |
N3 | C4 | N4 | H3 | 1.2° | 180.0° |
N2 | N1 | C3 | C2 | 0.3° | 0.0° |
N2 | N1 | C3 | C6 | 174.3° | 179.7° |
N2 | N1 | C6 | C10 | 37.7° | 48.3° |
N2 | N1 | C6 | C7 | 141.4° | 131.4° |
N2 | N1 | C3 | H1 | 179.7° | 179.8° |
C2 | C3 | N1 | H1 | 180.0° | 179.8° |
C2 | C3 | N1 | C6 | 174.6° | 179.8° |
C3 | C2 | N3 | H2 | 155.7° | 180.0° |
O1 | C4 | N3 | H2 | 167.5° | 180.0° |
O1 | C4 | N4 | H4 | 0.0° | 180.0° |
O1 | C4 | N4 | H3 | 180.0° | 0.0° |
C16 | O3 | C14 | C15 | 2.6° | 179.7° |
C16 | O3 | C14 | C13 | 178.1° | 0.0° |
O3 | C16 | H14 | H13 | 120.0° | 120.0° |
O3 | C16 | H14 | H15 | 120.0° | 120.0° |
O3 | C16 | H13 | H15 | 120.0° | 119.9° |
C3 | N1 | C6 | C10 | 148.5° | 132.0° |
C3 | N1 | C6 | C7 | 32.3° | 48.3° |
N1 | C6 | C10 | C15 | 6.8° | 0.0° |
N1 | C6 | C10 | C7 | 179.1° | 179.7° |
N1 | C6 | C10 | C11 | 175.1° | 179.8° |
N1 | C6 | C7 | C8 | 177.8° | 180.0° |
C6 | N1 | C3 | H1 | 5.4° | 0.1° |
N1 | C6 | C7 | H7 | 2.2° | 0.1° |
O3 | C14 | C15 | C13 | 179.2° | 179.7° |
O3 | C14 | C15 | C10 | 178.6° | 179.8° |
O3 | C14 | C13 | C12 | 176.9° | 180.0° |
O3 | C14 | C13 | H11 | 3.1° | 0.0° |
O3 | C14 | C15 | H12 | 1.4° | 0.3° |
C14 | O3 | C16 | H14 | 180.0° | 180.0° |
C14 | O3 | C16 | H13 | 60.0° | 60.0° |
C14 | O3 | C16 | H15 | 60.0° | 59.9° |
C14 | C15 | C10 | H12 | 180.0° | 179.5° |
C14 | C15 | C10 | C6 | 179.3° | 179.7° |
C14 | C15 | C10 | C11 | 2.6° | 0.5° |
C15 | C14 | C13 | C12 | 2.4° | 0.3° |
C15 | C14 | C13 | H11 | 177.6° | 179.7° |
C10 | C15 | C14 | C13 | 0.6° | 0.5° |
C15 | C10 | C6 | C11 | 178.1° | 179.7° |
C15 | C10 | C6 | C7 | 174.1° | 179.7° |
C15 | C10 | C11 | C12 | 4.1° | 0.3° |
C15 | C10 | C11 | C9 | 174.9° | 179.7° |
C14 | C13 | C12 | H11 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 0.9° | 0.0° |
C14 | C13 | C12 | H10 | 179.1° | 180.0° |
C13 | C14 | C15 | H12 | 179.4° | 180.0° |
C10 | C6 | C7 | C8 | 1.3° | 0.3° |
C6 | C10 | C11 | C12 | 177.8° | 180.0° |
C6 | C10 | C11 | C9 | 3.2° | 0.5° |
C10 | C6 | C7 | H7 | 178.7° | 179.8° |
C6 | C10 | C15 | H12 | 0.7° | 0.2° |
C7 | C6 | C10 | C11 | 4.0° | 0.5° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 2.2° | 0.0° |
C6 | C7 | C8 | H8 | 177.8° | 179.9° |
C10 | C11 | C12 | C13 | 2.3° | 0.0° |
C10 | C11 | C12 | C9 | 179.0° | 179.4° |
C10 | C11 | C9 | C8 | 0.1° | 0.3° |
C10 | C11 | C9 | H9 | 179.9° | 179.8° |
C10 | C11 | C12 | H10 | 177.7° | 180.0° |
C11 | C10 | C15 | H12 | 177.3° | 180.0° |
C7 | C8 | C9 | C11 | 2.9° | 0.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | H9 | 177.1° | 180.0° |
C13 | C12 | C11 | H10 | 180.0° | 179.9° |
C13 | C12 | C11 | C9 | 176.7° | 179.5° |
C12 | C11 | C9 | C8 | 178.9° | 179.7° |
C12 | C11 | C9 | H9 | 1.1° | 0.4° |
C11 | C12 | C13 | H11 | 179.1° | 179.9° |
C11 | C9 | C8 | H9 | 180.0° | 179.9° |
C11 | C9 | C8 | H8 | 177.1° | 179.9° |
C9 | C11 | C12 | H10 | 3.3° | 0.6° |
C9 | C8 | C7 | H7 | 177.8° | 180.0° |
H7 | C7 | C8 | H8 | 2.2° | 0.0° |
H8 | C8 | C9 | H9 | 2.9° | 0.0° |
H10 | C12 | C13 | H11 | 0.9° | 0.0° |
H14 | C16 | H13 | H15 | 120.0° | 120.1° |