FV0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N11 | C12 | sing | 1.47Å | 1.48Å | |
N11 | C16 | sing | 1.47Å | 1.48Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.53Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
C17 | C19 | sing | 1.53Å | 1.53Å | |
C19 | N20 | sing | 1.47Å | 1.45Å | |
C19 | C32 | sing | 1.53Å | 1.53Å | |
C32 | C38 | sing | 1.51Å | 1.52Å | |
C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C14 | H14B | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C15 | H15B | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
O18 | HO18 | sing | 0.97Å | 0.95Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
N20 | HN20 | sing | 1.01Å | 1.00Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H32A | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.08Å | 1.08Å | |
C34 | H34 | sing | 1.08Å | 1.08Å | |
C35 | H35 | sing | 1.08Å | 1.08Å | |
C36 | H36 | sing | 1.08Å | 1.08Å | |
C37 | H37 | sing | 1.08Å | 1.08Å | |
N11 | H2 | sing | 1.01Å | 1.00Å | |
N20 | H1 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | N11 | C16 | 113.6° | 111.0° |
N11 | C12 | C13 | 112.5° | 109.4° |
N11 | C12 | H12 | 108.5° | 109.5° |
N11 | C12 | H12A | 108.5° | 109.5° |
C12 | N11 | H2 | 108.1° | 111.0° |
N11 | C16 | C17 | 108.2° | 109.4° |
N11 | C16 | H16 | 109.9° | 109.5° |
N11 | C16 | H16A | 109.9° | 109.5° |
C16 | N11 | H2 | 108.1° | 111.0° |
C12 | C13 | C14 | 109.1° | 109.5° |
C12 | C13 | C15 | 112.9° | 109.4° |
C13 | C12 | H12 | 108.5° | 109.5° |
C13 | C12 | H12A | 108.5° | 109.5° |
C12 | C13 | H13 | 107.6° | 109.5° |
C14 | C13 | C15 | 110.2° | 109.5° |
C14 | C13 | H13 | 110.5° | 109.5° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H14A | 109.4° | 109.4° |
C13 | C14 | H14B | 109.4° | 109.4° |
C15 | C13 | H13 | 106.5° | 109.5° |
C13 | C15 | H15 | 109.5° | 109.4° |
C13 | C15 | H15A | 109.5° | 109.4° |
C13 | C15 | H15B | 109.5° | 109.4° |
C16 | C17 | O18 | 109.5° | 109.5° |
C16 | C17 | C19 | 112.4° | 109.4° |
C17 | C16 | H16 | 109.9° | 109.5° |
C17 | C16 | H16A | 109.9° | 109.5° |
C16 | C17 | H17 | 107.6° | 109.5° |
O18 | C17 | C19 | 109.7° | 109.5° |
O18 | C17 | H17 | 110.3° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 110.6° | 109.5° |
C17 | C19 | C32 | 113.9° | 109.5° |
C19 | C17 | H17 | 107.4° | 109.5° |
C17 | C19 | H19 | 104.7° | 109.5° |
N20 | C19 | C32 | 106.4° | 109.5° |
N20 | C19 | H19 | 112.3° | 109.5° |
C19 | N20 | HN20 | 109.5° | 111.0° |
C19 | N20 | H1 | 109.4° | 111.0° |
C19 | C32 | C38 | 109.4° | 109.5° |
C32 | C19 | H19 | 109.0° | 109.4° |
C19 | C32 | H32 | 109.5° | 109.4° |
C19 | C32 | H32A | 109.5° | 109.5° |
C32 | C38 | C33 | 121.4° | 120.0° |
C32 | C38 | C37 | 119.2° | 120.0° |
C38 | C32 | H32 | 109.5° | 109.5° |
C38 | C32 | H32A | 109.5° | 109.5° |
C34 | C33 | C38 | 120.0° | 120.0° |
C33 | C34 | C35 | 120.1° | 120.0° |
C34 | C33 | H33 | 120.0° | 120.0° |
C33 | C34 | H34 | 119.9° | 120.0° |
C33 | C38 | C37 | 119.4° | 120.0° |
C38 | C33 | H33 | 120.0° | 120.0° |
C34 | C35 | C36 | 120.3° | 120.0° |
C35 | C34 | H34 | 120.0° | 120.0° |
C34 | C35 | H35 | 119.9° | 120.0° |
C35 | C36 | C37 | 119.5° | 120.0° |
C36 | C35 | H35 | 119.9° | 120.0° |
C35 | C36 | H36 | 120.2° | 120.0° |
C36 | C37 | C38 | 120.8° | 120.0° |
C37 | C36 | H36 | 120.3° | 120.0° |
C36 | C37 | H37 | 119.6° | 120.0° |
C38 | C37 | H37 | 119.6° | 120.0° |
H12 | C12 | H12A | 110.5° | 109.5° |
H14 | C14 | H14A | 109.5° | 109.5° |
H14 | C14 | H14B | 109.5° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.5° |
H15 | C15 | H15A | 109.5° | 109.5° |
H15 | C15 | H15B | 109.5° | 109.5° |
H15A | C15 | H15B | 109.4° | 109.5° |
H16 | C16 | H16A | 109.0° | 109.5° |
HN20 | N20 | H1 | 109.5° | 110.9° |
H32 | C32 | H32A | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | N11 | C16 | H2 | 120.0° | 124.0° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.0° |
N11 | C12 | C13 | C14 | 176.0° | 65.0° |
N11 | C12 | C13 | C15 | 61.1° | 175.0° |
C12 | N11 | C16 | C17 | 105.4° | 180.0° |
N11 | C12 | H12 | H12A | 118.8° | 120.0° |
N11 | C12 | C13 | H13 | 56.1° | 55.0° |
C12 | N11 | C16 | H16 | 14.6° | 60.0° |
C12 | N11 | C16 | H16A | 134.6° | 60.0° |
C16 | N11 | C12 | C13 | 79.6° | 180.0° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 120.0° | 119.9° |
N11 | C16 | C17 | O18 | 168.4° | 65.0° |
N11 | C16 | C17 | C19 | 69.4° | 175.0° |
C16 | N11 | C12 | H12 | 160.4° | 60.0° |
C16 | N11 | C12 | H12A | 40.4° | 60.0° |
N11 | C16 | H16 | H16A | 120.5° | 120.0° |
N11 | C16 | C17 | H17 | 48.5° | 55.0° |
C12 | C13 | C14 | C15 | 124.5° | 120.0° |
C12 | C13 | C14 | H13 | 118.1° | 120.0° |
C12 | C13 | C15 | H13 | 117.9° | 120.0° |
C13 | C12 | H12 | H12A | 118.8° | 120.1° |
C12 | C13 | C14 | H14 | 180.0° | 60.0° |
C12 | C13 | C14 | H14A | 60.0° | 180.0° |
C12 | C13 | C14 | H14B | 60.0° | 60.1° |
C12 | C13 | C15 | H15 | 180.0° | 60.0° |
C12 | C13 | C15 | H15A | 60.0° | 179.9° |
C12 | C13 | C15 | H15B | 60.0° | 60.0° |
C13 | C12 | N11 | H2 | 160.4° | 56.1° |
C14 | C13 | C15 | H13 | 119.9° | 120.0° |
C14 | C13 | C12 | H12 | 64.0° | 55.0° |
C14 | C13 | C12 | H12A | 56.0° | 175.0° |
C13 | C14 | H14 | H14A | 120.0° | 120.0° |
C13 | C14 | H14 | H14B | 120.0° | 120.0° |
C13 | C14 | H14A | H14B | 120.0° | 119.9° |
C14 | C13 | C15 | H15 | 57.8° | 180.0° |
C14 | C13 | C15 | H15A | 177.8° | 60.0° |
C14 | C13 | C15 | H15B | 62.2° | 60.0° |
C15 | C13 | C12 | H12 | 58.9° | 65.0° |
C15 | C13 | C12 | H12A | 178.9° | 55.0° |
C15 | C13 | C14 | H14 | 55.6° | 60.0° |
C15 | C13 | C14 | H14A | 64.5° | 60.0° |
C15 | C13 | C14 | H14B | 175.5° | 180.0° |
C13 | C15 | H15 | H15A | 120.0° | 120.0° |
C13 | C15 | H15 | H15B | 120.0° | 119.9° |
C13 | C15 | H15A | H15B | 120.0° | 119.9° |
C16 | C17 | O18 | C19 | 123.7° | 119.9° |
C16 | C17 | O18 | H17 | 118.2° | 120.0° |
C16 | C17 | C19 | H17 | 118.1° | 120.0° |
C16 | C17 | C19 | N20 | 169.0° | 60.0° |
C16 | C17 | C19 | C32 | 71.2° | 180.0° |
C17 | C16 | H16 | H16A | 120.5° | 120.1° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 47.7° | 60.0° |
C17 | C16 | N11 | H2 | 134.6° | 56.0° |
O18 | C17 | C19 | H17 | 119.9° | 120.1° |
O18 | C17 | C19 | N20 | 69.0° | 180.0° |
O18 | C17 | C19 | C32 | 50.9° | 60.0° |
O18 | C17 | C16 | H16 | 48.4° | 54.9° |
O18 | C17 | C16 | H16A | 71.6° | 175.0° |
O18 | C17 | C19 | H19 | 169.8° | 59.9° |
C17 | C19 | N20 | C32 | 124.2° | 120.0° |
C17 | C19 | N20 | H19 | 116.6° | 120.0° |
C17 | C19 | C32 | H19 | 116.4° | 120.0° |
C17 | C19 | C32 | C38 | 177.7° | 175.0° |
C19 | C17 | C16 | H16 | 170.6° | 65.0° |
C19 | C17 | C16 | H16A | 50.6° | 55.1° |
C19 | C17 | O18 | HO18 | 56.2° | 59.9° |
C17 | C19 | N20 | HN20 | 180.0° | 63.9° |
C17 | C19 | C32 | H32 | 57.7° | 65.0° |
C17 | C19 | C32 | H32A | 62.3° | 55.0° |
C17 | C19 | N20 | H1 | 60.0° | 59.9° |
N20 | C19 | C32 | H19 | 121.4° | 120.0° |
N20 | C19 | C32 | C38 | 55.5° | 65.0° |
N20 | C19 | C17 | H17 | 50.9° | 59.9° |
C19 | N20 | HN20 | H1 | 120.0° | 123.9° |
N20 | C19 | C32 | H32 | 64.5° | 55.0° |
N20 | C19 | C32 | H32A | 175.5° | 175.0° |
C19 | C32 | C38 | H32 | 120.0° | 119.9° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 105.3° | 90.0° |
C19 | C32 | C38 | C37 | 72.5° | 90.0° |
C32 | C19 | C17 | H17 | 170.8° | 60.1° |
C32 | C19 | N20 | HN20 | 55.7° | 176.1° |
C19 | C32 | H32 | H32A | 120.0° | 119.9° |
C32 | C19 | N20 | H1 | 175.8° | 60.1° |
C32 | C38 | C33 | C34 | 178.3° | 180.0° |
C32 | C38 | C33 | C37 | 177.8° | 180.0° |
C32 | C38 | C37 | C36 | 178.0° | 180.0° |
C38 | C32 | C19 | H19 | 65.9° | 55.0° |
C38 | C32 | H32 | H32A | 120.0° | 120.1° |
C32 | C38 | C33 | H33 | 1.7° | 0.3° |
C32 | C38 | C37 | H37 | 2.0° | 0.0° |
C34 | C33 | C38 | H33 | 180.0° | 179.7° |
C33 | C34 | C35 | H34 | 180.0° | 179.8° |
C33 | C34 | C35 | C36 | 0.9° | 0.1° |
C34 | C33 | C38 | C37 | 0.5° | 0.0° |
C33 | C34 | C35 | H35 | 179.1° | 179.9° |
C38 | C33 | C34 | C35 | 0.0° | 0.1° |
C33 | C38 | C37 | C36 | 0.1° | 0.0° |
C33 | C38 | C32 | H32 | 14.7° | 30.0° |
C33 | C38 | C32 | H32A | 134.7° | 150.0° |
C38 | C33 | C34 | H34 | 180.0° | 179.9° |
C33 | C38 | C37 | H37 | 179.8° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C34 | C35 | C36 | C37 | 1.3° | 0.1° |
C35 | C34 | C33 | H33 | 180.0° | 179.7° |
C34 | C35 | C36 | H36 | 178.7° | 180.0° |
C35 | C36 | C37 | H36 | 180.0° | 179.9° |
C35 | C36 | C37 | C38 | 0.8° | 0.1° |
C36 | C35 | C34 | H34 | 179.1° | 179.9° |
C35 | C36 | C37 | H37 | 179.3° | 179.9° |
C36 | C37 | C38 | H37 | 180.0° | 180.0° |
C37 | C36 | C35 | H35 | 178.7° | 179.9° |
C37 | C38 | C32 | H32 | 167.5° | 150.0° |
C37 | C38 | C32 | H32A | 47.5° | 30.0° |
C37 | C38 | C33 | H33 | 179.5° | 179.7° |
C38 | C37 | C36 | H36 | 179.2° | 179.9° |
H12 | C12 | C13 | H13 | 176.1° | 175.0° |
H12 | C12 | N11 | H2 | 40.4° | 63.9° |
H12A | C12 | C13 | H13 | 63.9° | 65.0° |
H12A | C12 | N11 | H2 | 79.6° | 176.1° |
H13 | C13 | C14 | H14 | 61.8° | NaN° |
H13 | C13 | C14 | H14A | 178.1° | 60.0° |
H13 | C13 | C14 | H14B | 58.1° | 60.0° |
H13 | C13 | C15 | H15 | 62.1° | 60.0° |
H13 | C13 | C15 | H15A | 57.9° | 60.1° |
H13 | C13 | C15 | H15B | 177.9° | 180.0° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
H15 | C15 | H15A | H15B | 120.0° | 120.1° |
H16 | C16 | C17 | H17 | 71.5° | 175.0° |
H16 | C16 | N11 | H2 | 105.4° | 176.0° |
H16A | C16 | C17 | H17 | 168.5° | 64.9° |
H16A | C16 | N11 | H2 | 14.6° | 63.9° |
H17 | C17 | O18 | HO18 | 61.8° | 180.0° |
H17 | C17 | C19 | H19 | 70.3° | 180.0° |
H19 | C19 | N20 | HN20 | 63.5° | 56.1° |
H19 | C19 | C32 | H32 | 174.1° | 175.0° |
H19 | C19 | C32 | H32A | 54.1° | 65.0° |
H19 | C19 | N20 | H1 | 56.6° | 180.0° |
H33 | C33 | C34 | H34 | 0.0° | 0.4° |
H34 | C34 | C35 | H35 | 0.9° | 0.1° |
H35 | C35 | C36 | H36 | 1.3° | 0.0° |
H36 | C36 | C37 | H37 | 0.7° | 0.1° |