C9L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.53Å | 1.53Å | |
C11 | N10 | sing | 1.47Å | 1.43Å | |
C02 | C03 | sing | 1.51Å | 1.53Å | |
N10 | C09 | sing | 1.39Å | 1.44Å | |
C17 | C16 | sing | 1.53Å | 1.53Å | |
C17 | N12 | sing | 1.47Å | 1.53Å | |
C16 | C15 | sing | 1.53Å | 1.46Å | |
C03 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
C09 | N08 | sing | 1.33Å | 1.32Å | Aromatic |
C04 | N12 | sing | 1.39Å | 1.46Å | |
C04 | N05 | doub | 1.33Å | 1.33Å | Aromatic |
N08 | C06 | doub | 1.32Å | 1.33Å | Aromatic |
N12 | C13 | sing | 1.47Å | 1.53Å | |
C15 | C14 | sing | 1.53Å | 1.45Å | |
N05 | C06 | sing | 1.32Å | 1.32Å | Aromatic |
C06 | N07 | sing | 1.38Å | 1.45Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C11 | H1 | sing | 1.09Å | 1.10Å | |
C11 | H2 | sing | 1.09Å | 1.10Å | |
C11 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C16 | H8 | sing | 1.09Å | 1.10Å | |
C16 | H9 | sing | 1.09Å | 1.10Å | |
C17 | H10 | sing | 1.09Å | 1.10Å | |
C17 | H11 | sing | 1.09Å | 1.10Å | |
C01 | H12 | sing | 1.09Å | 1.10Å | |
C01 | H13 | sing | 1.09Å | 1.10Å | |
C01 | H14 | sing | 1.09Å | 1.10Å | |
C02 | H15 | sing | 1.09Å | 1.10Å | |
C02 | H16 | sing | 1.09Å | 1.10Å | |
N07 | H17 | sing | 0.97Å | 1.00Å | |
N07 | H18 | sing | 0.97Å | 1.00Å | |
N10 | H19 | sing | 0.97Å | 1.00Å | |
C14 | H20 | sing | 1.09Å | 1.10Å | |
C14 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 111.5° | 109.5° |
C02 | C01 | H12 | 109.5° | 109.4° |
C02 | C01 | H13 | 109.5° | 109.4° |
C02 | C01 | H14 | 109.4° | 109.5° |
C01 | C02 | H15 | 109.0° | 109.5° |
C01 | C02 | H16 | 109.0° | 109.5° |
C11 | N10 | C09 | 126.6° | 120.0° |
N10 | C11 | H1 | 109.5° | 109.4° |
N10 | C11 | H2 | 109.5° | 109.5° |
N10 | C11 | H3 | 109.5° | 109.4° |
C11 | N10 | H19 | 105.0° | 120.0° |
C02 | C03 | C09 | 118.9° | 120.8° |
C02 | C03 | C04 | 121.6° | 120.8° |
C03 | C02 | H15 | 109.0° | 109.5° |
C03 | C02 | H16 | 109.0° | 109.4° |
N10 | C09 | C03 | 116.7° | 120.5° |
N10 | C09 | N08 | 122.8° | 120.4° |
C09 | N10 | H19 | 105.0° | 120.0° |
C16 | C17 | N12 | 111.3° | 109.5° |
C17 | C16 | C15 | 113.1° | 109.3° |
C17 | C16 | H8 | 108.6° | 109.5° |
C17 | C16 | H9 | 108.5° | 109.6° |
C16 | C17 | H10 | 109.0° | 109.4° |
C16 | C17 | H11 | 109.0° | 109.4° |
C17 | N12 | C04 | 122.8° | 111.0° |
C17 | N12 | C13 | 106.7° | 111.2° |
N12 | C17 | H10 | 109.0° | 109.5° |
N12 | C17 | H11 | 109.0° | 109.5° |
C16 | C15 | C14 | 113.6° | 109.2° |
C16 | C15 | H6 | 108.4° | 109.5° |
C16 | C15 | H7 | 108.4° | 109.6° |
C15 | C16 | H8 | 108.5° | 109.5° |
C15 | C16 | H9 | 108.5° | 109.5° |
C09 | C03 | C04 | 119.5° | 118.4° |
C03 | C09 | N08 | 120.4° | 119.1° |
C03 | C04 | N12 | 122.6° | 120.5° |
C03 | C04 | N05 | 116.8° | 119.1° |
C09 | N08 | C06 | 119.0° | 120.8° |
N12 | C04 | N05 | 120.6° | 120.4° |
C04 | N12 | C13 | 119.4° | 111.0° |
C04 | N05 | C06 | 123.0° | 120.8° |
N08 | C06 | N05 | 121.4° | 121.7° |
N08 | C06 | N07 | 121.8° | 119.1° |
N12 | C13 | C14 | 113.6° | 109.5° |
N12 | C13 | H4 | 108.4° | 109.5° |
N12 | C13 | H5 | 108.4° | 109.4° |
C15 | C14 | C13 | 112.7° | 109.3° |
C14 | C15 | H6 | 108.4° | 109.6° |
C14 | C15 | H7 | 108.4° | 109.5° |
C15 | C14 | H20 | 108.7° | 109.5° |
C15 | C14 | H21 | 108.7° | 109.5° |
N05 | C06 | N07 | 116.8° | 119.2° |
C06 | N07 | H17 | 109.5° | 120.0° |
C06 | N07 | H18 | 109.5° | 120.1° |
C14 | C13 | H4 | 108.5° | 109.5° |
C14 | C13 | H5 | 108.4° | 109.5° |
C13 | C14 | H20 | 108.6° | 109.5° |
C13 | C14 | H21 | 108.7° | 109.6° |
H1 | C11 | H2 | 109.5° | 109.5° |
H1 | C11 | H3 | 109.4° | 109.5° |
H2 | C11 | H3 | 109.4° | 109.5° |
H4 | C13 | H5 | 109.5° | 109.4° |
H6 | C15 | H7 | 109.5° | 109.5° |
H8 | C16 | H9 | 109.5° | 109.5° |
H10 | C17 | H11 | 109.5° | 109.5° |
H12 | C01 | H13 | 109.5° | 109.4° |
H12 | C01 | H14 | 109.5° | 109.5° |
H13 | C01 | H14 | 109.5° | 109.5° |
H15 | C02 | H16 | 109.5° | 109.5° |
H17 | N07 | H18 | 109.5° | 120.0° |
H20 | C14 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | H15 | 120.3° | 120.1° |
C01 | C02 | C03 | H16 | 120.3° | 120.0° |
C01 | C02 | C03 | C09 | 74.1° | 84.6° |
C01 | C02 | C03 | C04 | 105.5° | 95.1° |
C02 | C01 | H12 | H13 | 120.0° | 119.9° |
C02 | C01 | H12 | H14 | 120.0° | 120.0° |
C02 | C01 | H13 | H14 | 119.9° | 120.0° |
C01 | C02 | H15 | H16 | 119.1° | 120.0° |
C11 | N10 | C09 | H19 | 122.3° | 180.0° |
C11 | N10 | C09 | C03 | 111.7° | 180.0° |
C11 | N10 | C09 | N08 | 72.0° | 0.3° |
N10 | C11 | H1 | H2 | 120.0° | 120.0° |
N10 | C11 | H1 | H3 | 120.0° | 119.9° |
N10 | C11 | H2 | H3 | 120.0° | 120.0° |
C02 | C03 | C09 | N10 | 2.3° | 0.0° |
C02 | C03 | C09 | C04 | 179.6° | 179.7° |
C02 | C03 | C09 | N08 | 178.7° | 179.7° |
C02 | C03 | C04 | N12 | 0.3° | 0.0° |
C02 | C03 | C04 | N05 | 179.9° | 180.0° |
C03 | C02 | C01 | H12 | 180.0° | 180.0° |
C03 | C02 | C01 | H13 | 60.0° | 60.1° |
C03 | C02 | C01 | H14 | 60.0° | 60.0° |
C03 | C02 | H15 | H16 | 119.1° | 119.9° |
N10 | C09 | C03 | N08 | 176.5° | 179.7° |
N10 | C09 | C03 | C04 | 178.1° | 179.7° |
N10 | C09 | N08 | C06 | 178.0° | 179.7° |
C09 | N10 | C11 | H1 | 180.0° | 60.0° |
C09 | N10 | C11 | H2 | 60.0° | 60.0° |
C09 | N10 | C11 | H3 | 60.0° | 180.0° |
C16 | C17 | N12 | H10 | 120.3° | 120.0° |
C16 | C17 | N12 | H11 | 120.3° | 120.0° |
C17 | C16 | C15 | H8 | 120.6° | 119.9° |
C17 | C16 | C15 | H9 | 120.5° | 120.0° |
C16 | C17 | N12 | C04 | 160.6° | 174.2° |
C16 | C17 | N12 | C13 | 56.0° | 61.8° |
C17 | C16 | C15 | C14 | 51.8° | 57.7° |
C17 | C16 | C15 | H6 | 172.4° | 177.6° |
C17 | C16 | C15 | H7 | 68.9° | 62.3° |
C17 | C16 | H8 | H9 | 118.4° | 120.1° |
C16 | C17 | H10 | H11 | 119.2° | 120.0° |
N12 | C17 | C16 | C15 | 56.4° | 59.2° |
C17 | N12 | C04 | C03 | 75.8° | 121.0° |
C17 | N12 | C04 | C13 | 139.0° | 124.2° |
C17 | N12 | C04 | N05 | 104.3° | 58.9° |
C17 | N12 | C13 | C14 | 55.1° | 61.8° |
C17 | N12 | C13 | H4 | 65.5° | 58.3° |
C17 | N12 | C13 | H5 | 175.7° | 178.2° |
N12 | C17 | C16 | H8 | 64.2° | 179.1° |
N12 | C17 | C16 | H9 | 176.9° | 60.8° |
N12 | C17 | H10 | H11 | 119.2° | 120.0° |
C16 | C15 | C14 | H6 | 120.6° | 119.9° |
C16 | C15 | C14 | H7 | 120.6° | 120.0° |
C16 | C15 | C14 | C13 | 49.3° | 57.7° |
C16 | C15 | H6 | H7 | 118.1° | 120.2° |
C15 | C16 | H8 | H9 | 118.3° | 120.1° |
C15 | C16 | C17 | H10 | 63.9° | 60.8° |
C15 | C16 | C17 | H11 | 176.6° | 179.2° |
C16 | C15 | C14 | H20 | 71.2° | 177.6° |
C16 | C15 | C14 | H21 | 169.8° | 62.3° |
C09 | C03 | C04 | N12 | 179.9° | 179.7° |
C09 | C03 | C04 | N05 | 0.3° | 0.3° |
C03 | C09 | N08 | C06 | 1.7° | 0.6° |
C09 | C03 | C02 | H15 | 46.2° | 35.5° |
C09 | C03 | C02 | H16 | 165.6° | 155.4° |
C03 | C09 | N10 | H19 | 126.0° | 0.0° |
C04 | C03 | C09 | N08 | 1.7° | 0.6° |
C03 | C04 | N12 | N05 | 179.8° | 180.0° |
C03 | C04 | N12 | C13 | 145.2° | 114.8° |
C03 | C04 | N05 | C06 | 1.0° | 0.0° |
C04 | C03 | C02 | H15 | 134.2° | 144.8° |
C04 | C03 | C02 | H16 | 14.8° | 24.9° |
C09 | N08 | C06 | N05 | 0.4° | 0.4° |
C09 | N08 | C06 | N07 | 179.1° | 179.7° |
N08 | C09 | N10 | H19 | 50.3° | 179.7° |
N12 | C04 | N05 | C06 | 178.8° | 180.0° |
C04 | N12 | C13 | C14 | 160.1° | 174.1° |
C04 | N12 | C13 | H4 | 79.3° | 65.8° |
C04 | N12 | C13 | H5 | 39.5° | 54.1° |
C04 | N12 | C17 | H10 | 79.1° | 65.9° |
C04 | N12 | C17 | H11 | 40.3° | 54.2° |
C04 | N05 | C06 | N08 | 1.0° | 0.0° |
N05 | C04 | N12 | C13 | 34.7° | 65.2° |
C04 | N05 | C06 | N07 | 179.5° | 180.0° |
N08 | C06 | N05 | N07 | 179.5° | 180.0° |
N08 | C06 | N07 | H17 | 0.0° | 180.0° |
N08 | C06 | N07 | H18 | 120.0° | 0.0° |
N12 | C13 | C14 | C15 | 52.6° | 59.2° |
N12 | C13 | C14 | H4 | 120.6° | 120.1° |
N12 | C13 | C14 | H5 | 120.6° | 120.0° |
N12 | C13 | H4 | H5 | 118.1° | 119.9° |
C13 | N12 | C17 | H10 | 64.2° | 58.2° |
C13 | N12 | C17 | H11 | 176.3° | 178.3° |
N12 | C13 | C14 | H20 | 67.8° | 179.1° |
N12 | C13 | C14 | H21 | 173.1° | 60.8° |
C15 | C14 | C13 | H20 | 120.5° | 120.0° |
C15 | C14 | C13 | H21 | 120.5° | 120.0° |
C15 | C14 | C13 | H4 | 68.0° | 60.9° |
C15 | C14 | C13 | H5 | 173.2° | 179.2° |
C14 | C15 | H6 | H7 | 118.1° | 120.1° |
C14 | C15 | C16 | H8 | 68.8° | 177.6° |
C14 | C15 | C16 | H9 | 172.3° | 62.3° |
C15 | C14 | H20 | H21 | 118.5° | 120.0° |
N05 | C06 | N07 | H17 | 179.5° | 0.0° |
N05 | C06 | N07 | H18 | 60.5° | 180.0° |
C06 | N07 | H17 | H18 | 120.0° | 180.0° |
C14 | C13 | H4 | H5 | 118.2° | 120.0° |
C13 | C14 | C15 | H6 | 169.9° | 177.6° |
C13 | C14 | C15 | H7 | 71.3° | 62.3° |
C13 | C14 | H20 | H21 | 118.5° | 120.1° |
H1 | C11 | H2 | H3 | 120.0° | 120.1° |
H1 | C11 | N10 | H19 | 57.7° | 120.0° |
H2 | C11 | N10 | H19 | 62.3° | 120.1° |
H3 | C11 | N10 | H19 | 177.7° | 0.0° |
H4 | C13 | C14 | H20 | 171.6° | 59.1° |
H4 | C13 | C14 | H21 | 52.5° | 179.2° |
H5 | C13 | C14 | H20 | 52.7° | 60.9° |
H5 | C13 | C14 | H21 | 66.3° | 59.2° |
H6 | C15 | C16 | H8 | 51.8° | 62.5° |
H6 | C15 | C16 | H9 | 67.1° | 57.6° |
H6 | C15 | C14 | H20 | 49.4° | 62.5° |
H6 | C15 | C14 | H21 | 69.6° | 57.6° |
H7 | C15 | C16 | H8 | 170.6° | 57.6° |
H7 | C15 | C16 | H9 | 51.7° | 177.7° |
H7 | C15 | C14 | H20 | 168.2° | 57.6° |
H7 | C15 | C14 | H21 | 49.2° | 177.7° |
H8 | C16 | C17 | H10 | 175.6° | 59.1° |
H8 | C16 | C17 | H11 | 56.1° | 60.9° |
H9 | C16 | C17 | H10 | 56.6° | 179.2° |
H9 | C16 | C17 | H11 | 62.8° | 59.2° |
H12 | C01 | H13 | H14 | 120.0° | 120.0° |
H12 | C01 | C02 | H15 | 59.7° | 60.0° |
H12 | C01 | C02 | H16 | 59.7° | 60.0° |
H13 | C01 | C02 | H15 | 60.3° | 59.9° |
H13 | C01 | C02 | H16 | 179.7° | 180.0° |
H14 | C01 | C02 | H15 | 179.7° | 180.0° |
H14 | C01 | C02 | H16 | 60.3° | 60.0° |